smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1[nH+]cccc1CNc1ccccc1[N+](=O)[O-] ZINC000048559455 522370877 /nfs/dbraw/zinc/37/08/77/522370877.db2.gz RUTOZYKHVLKERM-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364693118 523673554 /nfs/dbraw/zinc/67/35/54/523673554.db2.gz BWXJNVKIBBRIIL-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364693118 523673572 /nfs/dbraw/zinc/67/35/72/523673572.db2.gz BWXJNVKIBBRIIL-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000171685895 524981512 /nfs/dbraw/zinc/98/15/12/524981512.db2.gz SWSWLVVTKWIPMQ-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000171685895 524981523 /nfs/dbraw/zinc/98/15/23/524981523.db2.gz SWSWLVVTKWIPMQ-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1nc(NCCCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000361055991 527324141 /nfs/dbraw/zinc/32/41/41/527324141.db2.gz YGRDNYKMZNSKGM-UHFFFAOYSA-N 1 2 286.335 2.550 20 5 CFBDLO O=[N+]([O-])c1cccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000364721156 527386142 /nfs/dbraw/zinc/38/61/42/527386142.db2.gz GQCJKJGCILRMFC-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CF)C1 ZINC000414466418 527502352 /nfs/dbraw/zinc/50/23/52/527502352.db2.gz BOVRNPPVINCNSV-WASHYIJTSA-N 1 2 294.326 2.668 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CF)C1 ZINC000414466418 527502357 /nfs/dbraw/zinc/50/23/57/527502357.db2.gz BOVRNPPVINCNSV-WASHYIJTSA-N 1 2 294.326 2.668 20 5 CFBDLO CCOC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413079303 528737933 /nfs/dbraw/zinc/73/79/33/528737933.db2.gz CAHGZXNWLCJBLX-UHFFFAOYSA-N 1 2 289.291 2.508 20 5 CFBDLO C/C=C\COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000255558739 618117751 /nfs/dbraw/zinc/11/77/51/618117751.db2.gz LCBMGNRWQCFUHD-IHWYPQMZSA-N 1 2 287.275 2.513 20 5 CFBDLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000893280415 618929317 /nfs/dbraw/zinc/92/93/17/618929317.db2.gz XRZXQAVUFTUXCK-LLVKDONJSA-N 1 2 286.335 2.977 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(C(F)F)c1 ZINC000111290481 619016943 /nfs/dbraw/zinc/01/69/43/619016943.db2.gz ANBROSCWJREKOB-UHFFFAOYSA-N 1 2 282.250 2.841 20 5 CFBDLO CCNc1cc(CNc2nc(C)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000894873241 619492926 /nfs/dbraw/zinc/49/29/26/619492926.db2.gz OPZVVWQTSLKRLA-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2ncncc2C1 ZINC000895724467 619592059 /nfs/dbraw/zinc/59/20/59/619592059.db2.gz RYEPMIGMFFQPAL-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2ncncc2C1 ZINC000895724467 619592060 /nfs/dbraw/zinc/59/20/60/619592060.db2.gz RYEPMIGMFFQPAL-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO C[C@@H](CNc1cc(CO)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000896794620 619820324 /nfs/dbraw/zinc/82/03/24/619820324.db2.gz UDKMLHWCTKWXCI-NSHDSACASA-N 1 2 287.319 2.698 20 5 CFBDLO COc1ccccc1[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905101361 621699691 /nfs/dbraw/zinc/69/96/91/621699691.db2.gz KBHFDJSKHSZPIB-INIZCTEOSA-N 1 2 286.331 2.651 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1Cl ZINC000839190819 626530609 /nfs/dbraw/zinc/53/06/09/626530609.db2.gz DCYOFGVWNIWDSX-UWVGGRQHSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)ccc1Cl ZINC000839190819 626530610 /nfs/dbraw/zinc/53/06/10/626530610.db2.gz DCYOFGVWNIWDSX-UWVGGRQHSA-N 1 2 284.768 2.938 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000778954476 628341126 /nfs/dbraw/zinc/34/11/26/628341126.db2.gz WZOJUKLBZRPWKB-STQMWFEESA-N 1 2 277.368 2.600 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000778954476 628341128 /nfs/dbraw/zinc/34/11/28/628341128.db2.gz WZOJUKLBZRPWKB-STQMWFEESA-N 1 2 277.368 2.600 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000779889300 628416394 /nfs/dbraw/zinc/41/63/94/628416394.db2.gz PLMCTRRNNMVLRL-CDNLZTBQSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000779889300 628416397 /nfs/dbraw/zinc/41/63/97/628416397.db2.gz PLMCTRRNNMVLRL-CDNLZTBQSA-N 1 2 298.346 2.927 20 5 CFBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000782109524 628605178 /nfs/dbraw/zinc/60/51/78/628605178.db2.gz CAZCHROKIJZKQH-UHFFFAOYSA-N 1 2 273.292 2.635 20 5 CFBDLO CC(=CC(=O)Nc1cc[nH+]c(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784097268 628775896 /nfs/dbraw/zinc/77/58/96/628775896.db2.gz HVFJUDFSDNQBFN-LUAWRHEFSA-N 1 2 297.314 2.762 20 5 CFBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000785607684 628898090 /nfs/dbraw/zinc/89/80/90/628898090.db2.gz QLECNQJSLSXULI-UHFFFAOYSA-N 1 2 294.351 2.595 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000791051649 629284274 /nfs/dbraw/zinc/28/42/74/629284274.db2.gz HPSRPUFXCLOBBL-LBPRGKRZSA-N 1 2 299.168 2.863 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000791051649 629284275 /nfs/dbraw/zinc/28/42/75/629284275.db2.gz HPSRPUFXCLOBBL-LBPRGKRZSA-N 1 2 299.168 2.863 20 5 CFBDLO CCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835077740 629373489 /nfs/dbraw/zinc/37/34/89/629373489.db2.gz JHVVUYRSGSCOIP-UHFFFAOYSA-N 1 2 289.291 2.737 20 5 CFBDLO CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835097059 629399135 /nfs/dbraw/zinc/39/91/35/629399135.db2.gz GTHXGHNKWKQEBT-SNVBAGLBSA-N 1 2 289.291 2.736 20 5 CFBDLO CCn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801517507 630452747 /nfs/dbraw/zinc/45/27/47/630452747.db2.gz PBAWZJXMCPLXSY-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO CCn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000801517507 630452749 /nfs/dbraw/zinc/45/27/49/630452749.db2.gz PBAWZJXMCPLXSY-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448940 632215927 /nfs/dbraw/zinc/21/59/27/632215927.db2.gz DABDUBKASAIKJS-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448940 632215931 /nfs/dbraw/zinc/21/59/31/632215931.db2.gz DABDUBKASAIKJS-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO Cc1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000815561574 632289188 /nfs/dbraw/zinc/28/91/88/632289188.db2.gz JSKAADAUGUIXDA-QMMMGPOBSA-N 1 2 292.364 2.793 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000850506767 634023020 /nfs/dbraw/zinc/02/30/20/634023020.db2.gz BRUNXQSHIHNWNO-DZGCQCFKSA-N 1 2 298.346 2.726 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1[N+](=O)[O-] ZINC000859237152 636519412 /nfs/dbraw/zinc/51/94/12/636519412.db2.gz PISKBFURBZADOP-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO CC(C)CCC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000120409446 638214297 /nfs/dbraw/zinc/21/42/97/638214297.db2.gz IVVACOCYVWSBAK-UHFFFAOYSA-N 1 2 280.372 2.897 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927651 638660616 /nfs/dbraw/zinc/66/06/16/638660616.db2.gz FEMFNDSIECWIBT-VIFPVBQESA-N 1 2 273.333 2.502 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927651 638660626 /nfs/dbraw/zinc/66/06/26/638660626.db2.gz FEMFNDSIECWIBT-VIFPVBQESA-N 1 2 273.333 2.502 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865927976 638662321 /nfs/dbraw/zinc/66/23/21/638662321.db2.gz MOBITTUNLUEXSV-SNVBAGLBSA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865927976 638662326 /nfs/dbraw/zinc/66/23/26/638662326.db2.gz MOBITTUNLUEXSV-SNVBAGLBSA-N 1 2 285.294 2.580 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cc[nH]n1 ZINC000876722474 642983309 /nfs/dbraw/zinc/98/33/09/642983309.db2.gz WBEBJKQOJOLFFM-UHFFFAOYSA-N 1 2 274.324 2.567 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000876722474 642983314 /nfs/dbraw/zinc/98/33/14/642983314.db2.gz WBEBJKQOJOLFFM-UHFFFAOYSA-N 1 2 274.324 2.567 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000877657649 643437336 /nfs/dbraw/zinc/43/73/36/643437336.db2.gz MFLVIOQZUJWBSK-CYBMUJFWSA-N 1 2 296.342 2.772 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](CCF)C1 ZINC000877657649 643437340 /nfs/dbraw/zinc/43/73/40/643437340.db2.gz MFLVIOQZUJWBSK-CYBMUJFWSA-N 1 2 296.342 2.772 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000885931360 646772744 /nfs/dbraw/zinc/77/27/44/646772744.db2.gz RZWYARQZWZTLID-JTQLQIEISA-N 1 2 289.257 2.764 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000885931360 646772746 /nfs/dbraw/zinc/77/27/46/646772746.db2.gz RZWYARQZWZTLID-JTQLQIEISA-N 1 2 289.257 2.764 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000886033511 646831109 /nfs/dbraw/zinc/83/11/09/646831109.db2.gz VWRIYROUZSDNLK-AWEZNQCLSA-N 1 2 269.304 2.937 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000886033511 646831116 /nfs/dbraw/zinc/83/11/16/646831116.db2.gz VWRIYROUZSDNLK-AWEZNQCLSA-N 1 2 269.304 2.937 20 5 CFBDLO Cc1noc(C[NH2+][C@@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000886928616 647178452 /nfs/dbraw/zinc/17/84/52/647178452.db2.gz GVHKUVHSNFKHDQ-GFCCVEGCSA-N 1 2 291.282 2.807 20 5 CFBDLO COc1cc(C)c([N+](=O)[O-])cc1NCc1cc[nH+]c(N)c1 ZINC001167616389 770991721 /nfs/dbraw/zinc/99/17/21/770991721.db2.gz HWECJRRHXDNSAY-UHFFFAOYSA-N 1 2 288.307 2.501 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000595017908 349552187 /nfs/dbraw/zinc/55/21/87/349552187.db2.gz XFKZTSRJRHPDGA-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595064127 349572462 /nfs/dbraw/zinc/57/24/62/349572462.db2.gz CXKSTVRIZZFGQS-GBIKHYSHSA-N 1 2 287.323 2.543 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000595294534 349593873 /nfs/dbraw/zinc/59/38/73/349593873.db2.gz NNIACXQCOZSUSM-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000595294534 349593878 /nfs/dbraw/zinc/59/38/78/349593878.db2.gz NNIACXQCOZSUSM-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000595425234 349621704 /nfs/dbraw/zinc/62/17/04/349621704.db2.gz ZUHGVYCPCQCOCB-CABZTGNLSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000595425234 349621707 /nfs/dbraw/zinc/62/17/07/349621707.db2.gz ZUHGVYCPCQCOCB-CABZTGNLSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000595449948 349630013 /nfs/dbraw/zinc/63/00/13/349630013.db2.gz MSGVYGIAEPXRFT-MXWKQRLJSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000595449948 349630018 /nfs/dbraw/zinc/63/00/18/349630018.db2.gz MSGVYGIAEPXRFT-MXWKQRLJSA-N 1 2 282.315 2.732 20 5 CFBDLO CC[C@@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413153781 529471510 /nfs/dbraw/zinc/47/15/10/529471510.db2.gz LZQNUKQZMIROKY-NSHDSACASA-N 1 2 275.308 2.716 20 5 CFBDLO COc1cc(NCc2[nH+]ccn2C)c(Cl)cc1[N+](=O)[O-] ZINC000596112962 349797476 /nfs/dbraw/zinc/79/74/76/349797476.db2.gz YBJYTEAGLHIXKK-UHFFFAOYSA-N 1 2 296.714 2.602 20 5 CFBDLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074738919 347029742 /nfs/dbraw/zinc/02/97/42/347029742.db2.gz KVGPGMBSYRMECO-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO C[N@H+](Cc1cnc2ccccn12)Cc1ccccc1[N+](=O)[O-] ZINC000177264154 530016386 /nfs/dbraw/zinc/01/63/86/530016386.db2.gz FNEVCXUAEJTIAK-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@@H+](Cc1cnc2ccccn12)Cc1ccccc1[N+](=O)[O-] ZINC000177264154 530016388 /nfs/dbraw/zinc/01/63/88/530016388.db2.gz FNEVCXUAEJTIAK-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@H+](Cc1cnccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177245457 530017200 /nfs/dbraw/zinc/01/72/00/530017200.db2.gz IVOGELHJUMJOOO-UHFFFAOYSA-N 1 2 292.726 2.670 20 5 CFBDLO C[N@@H+](Cc1cnccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000177245457 530017202 /nfs/dbraw/zinc/01/72/02/530017202.db2.gz IVOGELHJUMJOOO-UHFFFAOYSA-N 1 2 292.726 2.670 20 5 CFBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000023618716 346253257 /nfs/dbraw/zinc/25/32/57/346253257.db2.gz PEIMGGCLISUMDS-UHFFFAOYSA-N 1 2 285.307 2.729 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000053215917 346540860 /nfs/dbraw/zinc/54/08/60/346540860.db2.gz NCPVIXXIJPOVNY-UHFFFAOYSA-N 1 2 287.319 2.510 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075893952 347106957 /nfs/dbraw/zinc/10/69/57/347106957.db2.gz GWNFEADZVIIBFQ-DTORHVGOSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075893952 347106962 /nfs/dbraw/zinc/10/69/62/347106962.db2.gz GWNFEADZVIIBFQ-DTORHVGOSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn[nH]c1 ZINC000085825643 347483144 /nfs/dbraw/zinc/48/31/44/347483144.db2.gz RQZPCHYEJQYDTK-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn[nH]c1 ZINC000085825643 347483147 /nfs/dbraw/zinc/48/31/47/347483147.db2.gz RQZPCHYEJQYDTK-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO CC[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091929142 347603810 /nfs/dbraw/zinc/60/38/10/347603810.db2.gz IKGZAGFAKOOQLK-SNVBAGLBSA-N 1 2 250.298 2.532 20 5 CFBDLO CC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091929142 347603815 /nfs/dbraw/zinc/60/38/15/347603815.db2.gz IKGZAGFAKOOQLK-SNVBAGLBSA-N 1 2 250.298 2.532 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093340006 347669609 /nfs/dbraw/zinc/66/96/09/347669609.db2.gz XVINLORZEVNWAP-ZDUSSCGKSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093340006 347669613 /nfs/dbraw/zinc/66/96/13/347669613.db2.gz XVINLORZEVNWAP-ZDUSSCGKSA-N 1 2 294.351 2.547 20 5 CFBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139869209 347922929 /nfs/dbraw/zinc/92/29/29/347922929.db2.gz GIBIYXHVRCISOA-ZCFIWIBFSA-N 1 2 267.676 2.539 20 5 CFBDLO CCc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000223668385 348175129 /nfs/dbraw/zinc/17/51/29/348175129.db2.gz WQVXQHMYQRAFDB-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCCOC3)c2c1 ZINC000413123899 233020947 /nfs/dbraw/zinc/02/09/47/233020947.db2.gz DLXATYSMQUIIAZ-LLVKDONJSA-N 1 2 273.292 2.734 20 5 CFBDLO COc1cc[nH+]cc1CNc1sccc1[N+](=O)[O-] ZINC000590061094 348871699 /nfs/dbraw/zinc/87/16/99/348871699.db2.gz MISPZHYRKFWZRV-UHFFFAOYSA-N 1 2 265.294 2.672 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCn2c[nH+]cc2C1 ZINC000590599023 348912863 /nfs/dbraw/zinc/91/28/63/348912863.db2.gz DEBNHCZCDNFYNE-LBPRGKRZSA-N 1 2 286.335 2.677 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCC[C@@H](O)C3)c2c1 ZINC000591140150 348991996 /nfs/dbraw/zinc/99/19/96/348991996.db2.gz IXUOFPPFRNMMPH-WCQYABFASA-N 1 2 287.319 2.858 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040525 349359873 /nfs/dbraw/zinc/35/98/73/349359873.db2.gz GNBZMXBXPRPJLQ-UKRRQHHQSA-N 1 2 294.351 2.738 20 5 CFBDLO COCCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597184035 350046864 /nfs/dbraw/zinc/04/68/64/350046864.db2.gz RNHCRJMOIGOREG-UHFFFAOYSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H](O)C[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067080 350369157 /nfs/dbraw/zinc/36/91/57/350369157.db2.gz XTOQSSHQAHURLZ-NXEZZACHSA-N 1 2 275.308 2.714 20 5 CFBDLO COCC1=CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599069320 350369975 /nfs/dbraw/zinc/36/99/75/350369975.db2.gz GLSCWMYOHYERGT-UHFFFAOYSA-N 1 2 299.330 2.926 20 5 CFBDLO O=[N+]([O-])c1c(NCCC2(O)CCC2)ccc2c[nH+]ccc21 ZINC000599074724 350371461 /nfs/dbraw/zinc/37/14/61/350371461.db2.gz VYGFCVAHZFLWOU-UHFFFAOYSA-N 1 2 287.319 2.860 20 5 CFBDLO CC[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])OC ZINC000599080855 350372536 /nfs/dbraw/zinc/37/25/36/350372536.db2.gz KVURMIWEPICTPM-LLVKDONJSA-N 1 2 275.308 2.980 20 5 CFBDLO C[C@H](CCCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084209 350373577 /nfs/dbraw/zinc/37/35/77/350373577.db2.gz UMSJNHYRFPFMKA-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000599103519 350376672 /nfs/dbraw/zinc/37/66/72/350376672.db2.gz WSNAZHPDAQAHIL-LBPRGKRZSA-N 1 2 284.319 2.687 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599645850 350470676 /nfs/dbraw/zinc/47/06/76/350470676.db2.gz GMVIWFBZYMCJKG-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599645850 350470678 /nfs/dbraw/zinc/47/06/78/350470678.db2.gz GMVIWFBZYMCJKG-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641001 350470829 /nfs/dbraw/zinc/47/08/29/350470829.db2.gz GJOSFRQGVXPHTE-BXUZGUMPSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCF)C1 ZINC000599641001 350470833 /nfs/dbraw/zinc/47/08/33/350470833.db2.gz GJOSFRQGVXPHTE-BXUZGUMPSA-N 1 2 282.315 2.716 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107289074 186167543 /nfs/dbraw/zinc/16/75/43/186167543.db2.gz BBYNHYXGKZDVAF-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000107292232 186166512 /nfs/dbraw/zinc/16/65/12/186166512.db2.gz WULTZSUZRLMBFE-UHFFFAOYSA-N 1 2 263.278 2.612 20 5 CFBDLO C[C@@H]([NH2+]Cc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000108941572 186236626 /nfs/dbraw/zinc/23/66/26/186236626.db2.gz OXOKKLHKYTWYJU-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@H]([NH2+]Cc1cscn1)c1ccc([N+](=O)[O-])cc1 ZINC000108941570 186237023 /nfs/dbraw/zinc/23/70/23/186237023.db2.gz OXOKKLHKYTWYJU-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171392 350687969 /nfs/dbraw/zinc/68/79/69/350687969.db2.gz KYTNFWAYVBGLTH-IONNQARKSA-N 1 2 264.310 2.971 20 5 CFBDLO CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198302 350694861 /nfs/dbraw/zinc/69/48/61/350694861.db2.gz UPXFZSAOESGUKC-UHFFFAOYSA-N 1 2 295.730 2.687 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000602488005 350904365 /nfs/dbraw/zinc/90/43/65/350904365.db2.gz YBTKTRDFONPXRM-FZMZJTMJSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000602488005 350904366 /nfs/dbraw/zinc/90/43/66/350904366.db2.gz YBTKTRDFONPXRM-FZMZJTMJSA-N 1 2 286.335 2.521 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[NH2+]C2(C(F)F)CC2)cc1 ZINC000602659083 350965018 /nfs/dbraw/zinc/96/50/18/350965018.db2.gz MWWCBMVWUQCHLG-UHFFFAOYSA-N 1 2 256.252 2.525 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884576 351058540 /nfs/dbraw/zinc/05/85/40/351058540.db2.gz BXGCBYWFADRDRW-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602884576 351058543 /nfs/dbraw/zinc/05/85/43/351058543.db2.gz BXGCBYWFADRDRW-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO CC1(F)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000602742841 351011187 /nfs/dbraw/zinc/01/11/87/351011187.db2.gz SEPGPZTYZUAEGZ-UHFFFAOYSA-N 1 2 268.288 2.624 20 5 CFBDLO Cc1nn(CCc2[nH]c3ccccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000603298959 351133581 /nfs/dbraw/zinc/13/35/81/351133581.db2.gz ZWRFXRNDNHZCQO-UHFFFAOYSA-N 1 2 285.307 2.527 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cs1 ZINC000609157303 351489754 /nfs/dbraw/zinc/48/97/54/351489754.db2.gz CFUAMQXLRPMIEP-GFCCVEGCSA-N 1 2 292.364 2.690 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cs1 ZINC000609157303 351489757 /nfs/dbraw/zinc/48/97/57/351489757.db2.gz CFUAMQXLRPMIEP-GFCCVEGCSA-N 1 2 292.364 2.690 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000610276317 351546584 /nfs/dbraw/zinc/54/65/84/351546584.db2.gz KZWYGXFAHYPVDL-JTQLQIEISA-N 1 2 278.337 2.694 20 5 CFBDLO COc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1[N+](=O)[O-] ZINC000611080203 351638595 /nfs/dbraw/zinc/63/85/95/351638595.db2.gz GHYXINFVKCNOME-UHFFFAOYSA-N 1 2 280.299 2.537 20 5 CFBDLO C[N@H+](CCOC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000610859736 351615492 /nfs/dbraw/zinc/61/54/92/351615492.db2.gz KKIWRXVCEIXUSY-UHFFFAOYSA-N 1 2 272.370 2.903 20 5 CFBDLO C[N@@H+](CCOC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000610859736 351615495 /nfs/dbraw/zinc/61/54/95/351615495.db2.gz KKIWRXVCEIXUSY-UHFFFAOYSA-N 1 2 272.370 2.903 20 5 CFBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610990744 351628858 /nfs/dbraw/zinc/62/88/58/351628858.db2.gz LHQJBMVLFCMEHV-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1COCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610990744 351628861 /nfs/dbraw/zinc/62/88/61/351628861.db2.gz LHQJBMVLFCMEHV-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO CN(C)c1ccc(Nc2sccc2[N+](=O)[O-])c[nH+]1 ZINC000611411352 351684984 /nfs/dbraw/zinc/68/49/84/351684984.db2.gz KGJDWVQVTZJCJB-UHFFFAOYSA-N 1 2 264.310 2.861 20 5 CFBDLO Cc1c([C@H](C)[NH2+]Cc2cocn2)cccc1[N+](=O)[O-] ZINC000611474174 351694987 /nfs/dbraw/zinc/69/49/87/351694987.db2.gz IYXRHKPHBQZTKZ-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501293 351697817 /nfs/dbraw/zinc/69/78/17/351697817.db2.gz AIHPAWNYDUKRFB-MFKMUULPSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501293 351697820 /nfs/dbraw/zinc/69/78/20/351697820.db2.gz AIHPAWNYDUKRFB-MFKMUULPSA-N 1 2 282.315 2.783 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611502853 351700537 /nfs/dbraw/zinc/70/05/37/351700537.db2.gz ZKINTSXGAVCZAI-GWCFXTLKSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611502853 351700541 /nfs/dbraw/zinc/70/05/41/351700541.db2.gz ZKINTSXGAVCZAI-GWCFXTLKSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000614408607 352090723 /nfs/dbraw/zinc/09/07/23/352090723.db2.gz PZRFSLIRLOZELY-XHDPSFHLSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000614408607 352090727 /nfs/dbraw/zinc/09/07/27/352090727.db2.gz PZRFSLIRLOZELY-XHDPSFHLSA-N 1 2 276.336 2.767 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000616176533 352295920 /nfs/dbraw/zinc/29/59/20/352295920.db2.gz VBUCAZIIKGKYLL-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1ncc[nH]1 ZINC000616176533 352295923 /nfs/dbraw/zinc/29/59/23/352295923.db2.gz VBUCAZIIKGKYLL-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1ncc[nH]1 ZINC000616176533 352295926 /nfs/dbraw/zinc/29/59/26/352295926.db2.gz VBUCAZIIKGKYLL-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](C(F)F)C3)nc2c1 ZINC000618291155 352749697 /nfs/dbraw/zinc/74/96/97/352749697.db2.gz PBIMZRQOUBTYNT-MRVPVSSYSA-N 1 2 296.277 2.558 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](C(F)F)C3)nc2c1 ZINC000618291155 352749699 /nfs/dbraw/zinc/74/96/99/352749699.db2.gz PBIMZRQOUBTYNT-MRVPVSSYSA-N 1 2 296.277 2.558 20 5 CFBDLO COc1cc(NCCc2[nH+]cccc2C)ccc1[N+](=O)[O-] ZINC000295865186 199696638 /nfs/dbraw/zinc/69/66/38/199696638.db2.gz YOJOZPFGKFKTEO-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1cnccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297455766 200197019 /nfs/dbraw/zinc/19/70/19/200197019.db2.gz RDUVUZFXVZBFMK-UHFFFAOYSA-N 1 2 299.330 2.561 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])c(C)n3)cn21 ZINC000301674910 201129005 /nfs/dbraw/zinc/12/90/05/201129005.db2.gz RVTTYYRZSRBAHB-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)nc1OCc1ccccc1 ZINC000302168024 201376483 /nfs/dbraw/zinc/37/64/83/201376483.db2.gz KIFPPJZLODLAHN-UHFFFAOYSA-N 1 2 296.286 2.755 20 5 CFBDLO Cc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)nc[nH+]1 ZINC000302206552 201395192 /nfs/dbraw/zinc/39/51/92/201395192.db2.gz KOQYPJPWKRRSTD-UHFFFAOYSA-N 1 2 278.699 2.959 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000367964791 291310911 /nfs/dbraw/zinc/31/09/11/291310911.db2.gz QPHVMTRGHQBUBJ-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000367964791 291310915 /nfs/dbraw/zinc/31/09/15/291310915.db2.gz QPHVMTRGHQBUBJ-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449563081 242034251 /nfs/dbraw/zinc/03/42/51/242034251.db2.gz QYAOGRAAILDMJK-LLVKDONJSA-N 1 2 274.324 2.662 20 5 CFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449563082 242034459 /nfs/dbraw/zinc/03/44/59/242034459.db2.gz QYAOGRAAILDMJK-NSHDSACASA-N 1 2 274.324 2.662 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330736245 203170822 /nfs/dbraw/zinc/17/08/22/203170822.db2.gz MDROBZLJFXJUEW-OAHLLOKOSA-N 1 2 278.352 2.760 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330736245 203170825 /nfs/dbraw/zinc/17/08/25/203170825.db2.gz MDROBZLJFXJUEW-OAHLLOKOSA-N 1 2 278.352 2.760 20 5 CFBDLO O=[N+]([O-])c1cccc(NCc2cn3ccccc3[nH+]2)c1 ZINC000000577030 371642051 /nfs/dbraw/zinc/64/20/51/371642051.db2.gz GTFJANXBRDWKNJ-UHFFFAOYSA-N 1 2 268.276 2.855 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065426812 373870497 /nfs/dbraw/zinc/87/04/97/373870497.db2.gz OEBUJHRIXXPKEZ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000065426812 373870502 /nfs/dbraw/zinc/87/05/02/373870502.db2.gz OEBUJHRIXXPKEZ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H]1COCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492128329 246195034 /nfs/dbraw/zinc/19/50/34/246195034.db2.gz ITWUSUHLECYIIW-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]1COCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492128329 246195039 /nfs/dbraw/zinc/19/50/39/246195039.db2.gz ITWUSUHLECYIIW-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO Cc1c(C[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000076431053 374549993 /nfs/dbraw/zinc/54/99/93/374549993.db2.gz ARMLKLFHHQFHMQ-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000076431053 374550000 /nfs/dbraw/zinc/55/00/00/374550000.db2.gz ARMLKLFHHQFHMQ-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000103555370 375755011 /nfs/dbraw/zinc/75/50/11/375755011.db2.gz KBAGHSNFDXQSRX-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000103555370 375755017 /nfs/dbraw/zinc/75/50/17/375755017.db2.gz KBAGHSNFDXQSRX-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000129690161 377460254 /nfs/dbraw/zinc/46/02/54/377460254.db2.gz DWHTXIHZUHELAK-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000129690161 377460261 /nfs/dbraw/zinc/46/02/61/377460261.db2.gz DWHTXIHZUHELAK-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO CC[C@H]([NH2+]Cc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000148646631 378259112 /nfs/dbraw/zinc/25/91/12/378259112.db2.gz KZUWFTWHSBJJIJ-ZDUSSCGKSA-N 1 2 261.281 2.824 20 5 CFBDLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448861 378559551 /nfs/dbraw/zinc/55/95/51/378559551.db2.gz HHICJFKGFDRJTH-GWCFXTLKSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448861 378559557 /nfs/dbraw/zinc/55/95/57/378559557.db2.gz HHICJFKGFDRJTH-GWCFXTLKSA-N 1 2 264.325 2.921 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331188386 378646911 /nfs/dbraw/zinc/64/69/11/378646911.db2.gz UPASFXNYHMJKNK-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331188386 378646918 /nfs/dbraw/zinc/64/69/18/378646918.db2.gz UPASFXNYHMJKNK-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000172530075 379591678 /nfs/dbraw/zinc/59/16/78/379591678.db2.gz JDVCMRNZGXOVIL-NSHDSACASA-N 1 2 294.351 2.757 20 5 CFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000172530075 379591683 /nfs/dbraw/zinc/59/16/83/379591683.db2.gz JDVCMRNZGXOVIL-NSHDSACASA-N 1 2 294.351 2.757 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)C1 ZINC000175179162 380012909 /nfs/dbraw/zinc/01/29/09/380012909.db2.gz KPCLBENHGWKSIY-LLVKDONJSA-N 1 2 296.392 2.931 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@H](C)C1 ZINC000175179162 380012915 /nfs/dbraw/zinc/01/29/15/380012915.db2.gz KPCLBENHGWKSIY-LLVKDONJSA-N 1 2 296.392 2.931 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279240349 194347763 /nfs/dbraw/zinc/34/77/63/194347763.db2.gz FXFZWMILTDIIIZ-ABAIWWIYSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279240349 194347766 /nfs/dbraw/zinc/34/77/66/194347766.db2.gz FXFZWMILTDIIIZ-ABAIWWIYSA-N 1 2 276.336 2.594 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289640139 381081361 /nfs/dbraw/zinc/08/13/61/381081361.db2.gz WOJMMCRJVFPLDI-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289640139 381081367 /nfs/dbraw/zinc/08/13/67/381081367.db2.gz WOJMMCRJVFPLDI-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])s1 ZINC000358787097 381084720 /nfs/dbraw/zinc/08/47/20/381084720.db2.gz ZDCPXQLGVYOAPX-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO C[C@]1(F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347398557 381124879 /nfs/dbraw/zinc/12/48/79/381124879.db2.gz XTJORQDJWVHJBA-LBPRGKRZSA-N 1 2 256.252 2.668 20 5 CFBDLO C[C@]1(F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347398557 381124886 /nfs/dbraw/zinc/12/48/86/381124886.db2.gz XTJORQDJWVHJBA-LBPRGKRZSA-N 1 2 256.252 2.668 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341872769 381197770 /nfs/dbraw/zinc/19/77/70/381197770.db2.gz FMLDXPZTRFSUMF-GHMZBOCLSA-N 1 2 274.324 2.740 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nccc(C(F)F)n2)c1 ZINC000342235765 381228783 /nfs/dbraw/zinc/22/87/83/381228783.db2.gz BORUBLZNMXTCNB-UHFFFAOYSA-N 1 2 294.261 2.612 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000296168927 381286364 /nfs/dbraw/zinc/28/63/64/381286364.db2.gz XBDBAMMTTWNEMS-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO CCc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C ZINC000290514350 381460563 /nfs/dbraw/zinc/46/05/63/381460563.db2.gz FOZGRFCLAMTZQZ-UHFFFAOYSA-N 1 2 260.297 2.503 20 5 CFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1csc([N+](=O)[O-])c1 ZINC000355288854 381729277 /nfs/dbraw/zinc/72/92/77/381729277.db2.gz KKIHGTNTSVMJHR-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO Cc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000343941089 382030771 /nfs/dbraw/zinc/03/07/71/382030771.db2.gz YEQWCDNRYJAAGC-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000343941089 382030779 /nfs/dbraw/zinc/03/07/79/382030779.db2.gz YEQWCDNRYJAAGC-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c2ccncc21 ZINC000301059021 382068094 /nfs/dbraw/zinc/06/80/94/382068094.db2.gz PFFGYXLKFODXBI-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000301248359 382120728 /nfs/dbraw/zinc/12/07/28/382120728.db2.gz ABSLAMVUXRWLST-UHFFFAOYSA-N 1 2 279.687 2.824 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000357578281 382236760 /nfs/dbraw/zinc/23/67/60/382236760.db2.gz CKCRQKOCXKVSJM-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO COC1CC([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000352204846 382227296 /nfs/dbraw/zinc/22/72/96/382227296.db2.gz YTDGACPRYDKPPY-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO COC1CC([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000352204846 382227299 /nfs/dbraw/zinc/22/72/99/382227299.db2.gz YTDGACPRYDKPPY-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000352405623 382311874 /nfs/dbraw/zinc/31/18/74/382311874.db2.gz NNVXVIDDJPVLQG-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000352405623 382311882 /nfs/dbraw/zinc/31/18/82/382311882.db2.gz NNVXVIDDJPVLQG-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352526906 382381158 /nfs/dbraw/zinc/38/11/58/382381158.db2.gz TWRMPXRRGJLNIZ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352526906 382381163 /nfs/dbraw/zinc/38/11/63/382381163.db2.gz TWRMPXRRGJLNIZ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000378501247 382474832 /nfs/dbraw/zinc/47/48/32/382474832.db2.gz MUFSGNDDLGTTTG-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000378501247 382474837 /nfs/dbraw/zinc/47/48/37/382474837.db2.gz MUFSGNDDLGTTTG-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000346709849 382485328 /nfs/dbraw/zinc/48/53/28/382485328.db2.gz ZSUKUYDVTXXSDM-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CC(C)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161002 382503994 /nfs/dbraw/zinc/50/39/94/382503994.db2.gz ASLJMOODGGYWHR-BIENSFFJSA-N 1 2 290.363 2.965 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161002 382503998 /nfs/dbraw/zinc/50/39/98/382503998.db2.gz ASLJMOODGGYWHR-BIENSFFJSA-N 1 2 290.363 2.965 20 5 CFBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc(C)[nH+]1 ZINC000421578887 382589505 /nfs/dbraw/zinc/58/95/05/382589505.db2.gz SFGORNIJDXASGJ-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO CC(C)[N@H+](Cc1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000191927629 382703510 /nfs/dbraw/zinc/70/35/10/382703510.db2.gz HADRVJBOBLULKU-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO CC(C)[N@@H+](Cc1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000191927629 382703511 /nfs/dbraw/zinc/70/35/11/382703511.db2.gz HADRVJBOBLULKU-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO Cc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000337309087 382799144 /nfs/dbraw/zinc/79/91/44/382799144.db2.gz VKVHOVIBXSIDLI-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO CCc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000447776357 383004231 /nfs/dbraw/zinc/00/42/31/383004231.db2.gz BJVBHXVYYSWYIN-UHFFFAOYSA-N 1 2 290.348 2.652 20 5 CFBDLO Cc1csc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000339083894 383143561 /nfs/dbraw/zinc/14/35/61/383143561.db2.gz CAZUENTUAJGLNN-VIFPVBQESA-N 1 2 293.348 2.916 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000339099673 383148820 /nfs/dbraw/zinc/14/88/20/383148820.db2.gz NZXZNXDTKLWMIE-GWCFXTLKSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000339099673 383148822 /nfs/dbraw/zinc/14/88/22/383148822.db2.gz NZXZNXDTKLWMIE-GWCFXTLKSA-N 1 2 262.309 2.675 20 5 CFBDLO CC1(C)C[C@H]([NH2+]Cc2ncccn2)c2cc([N+](=O)[O-])ccc21 ZINC000521464236 383297458 /nfs/dbraw/zinc/29/74/58/383297458.db2.gz OOVIQXAGXRWKJY-AWEZNQCLSA-N 1 2 298.346 2.897 20 5 CFBDLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000428454442 383475910 /nfs/dbraw/zinc/47/59/10/383475910.db2.gz AYDHMBLQUUEJEE-GFCCVEGCSA-N 1 2 286.335 2.886 20 5 CFBDLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000428454442 383475911 /nfs/dbraw/zinc/47/59/11/383475911.db2.gz AYDHMBLQUUEJEE-GFCCVEGCSA-N 1 2 286.335 2.886 20 5 CFBDLO C[C@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830221 383509476 /nfs/dbraw/zinc/50/94/76/383509476.db2.gz NNKNTTLIEIUOGE-CBAPKCEASA-N 1 2 293.714 2.958 20 5 CFBDLO C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CO1 ZINC000569600773 383518551 /nfs/dbraw/zinc/51/85/51/383518551.db2.gz ZEGUVQHQHVZEFY-KOLCDFICSA-N 1 2 273.292 2.732 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000430193346 383591152 /nfs/dbraw/zinc/59/11/52/383591152.db2.gz DPOSTOUUTNUSFO-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000430193346 383591156 /nfs/dbraw/zinc/59/11/56/383591156.db2.gz DPOSTOUUTNUSFO-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc[nH+]cc1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000431431280 383671131 /nfs/dbraw/zinc/67/11/31/383671131.db2.gz NXTWPPKRHKMYNP-UHFFFAOYSA-N 1 2 273.292 2.919 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000279674561 384718525 /nfs/dbraw/zinc/71/85/25/384718525.db2.gz DSFUSLRTNZFGIG-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000279674561 384718531 /nfs/dbraw/zinc/71/85/31/384718531.db2.gz DSFUSLRTNZFGIG-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279725803 384738011 /nfs/dbraw/zinc/73/80/11/384738011.db2.gz MNEMDPOICZREBX-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccco1)CCO2 ZINC000356522831 285142661 /nfs/dbraw/zinc/14/26/61/285142661.db2.gz JCCQTWPPOVZUCQ-UHFFFAOYSA-N 1 2 274.276 2.582 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccco1)CCO2 ZINC000356522831 285142662 /nfs/dbraw/zinc/14/26/62/285142662.db2.gz JCCQTWPPOVZUCQ-UHFFFAOYSA-N 1 2 274.276 2.582 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000269957575 384920948 /nfs/dbraw/zinc/92/09/48/384920948.db2.gz IJIYUDYZNRRSSI-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000280628170 385092119 /nfs/dbraw/zinc/09/21/19/385092119.db2.gz QERMHLBEDKZTPV-LRDDRELGSA-N 1 2 290.363 2.903 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000280628170 385092125 /nfs/dbraw/zinc/09/21/25/385092125.db2.gz QERMHLBEDKZTPV-LRDDRELGSA-N 1 2 290.363 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000271131050 385345063 /nfs/dbraw/zinc/34/50/63/385345063.db2.gz PVETTZNMOWZHJH-ZFWWWQNUSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000271131050 385345068 /nfs/dbraw/zinc/34/50/68/385345068.db2.gz PVETTZNMOWZHJH-ZFWWWQNUSA-N 1 2 276.336 2.657 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000283019064 385424626 /nfs/dbraw/zinc/42/46/26/385424626.db2.gz HRNSHRACQAFBJZ-WDEREUQCSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000283019064 385424629 /nfs/dbraw/zinc/42/46/29/385424629.db2.gz HRNSHRACQAFBJZ-WDEREUQCSA-N 1 2 262.309 2.567 20 5 CFBDLO CCOc1cc(C[NH+]2[C@H](C)COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276990817 386100498 /nfs/dbraw/zinc/10/04/98/386100498.db2.gz ZZVZNKFUSKEVBL-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276859465 386061557 /nfs/dbraw/zinc/06/15/57/386061557.db2.gz GEWGJFIZSLQYFK-NWDGAFQWSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276859465 386061564 /nfs/dbraw/zinc/06/15/64/386061564.db2.gz GEWGJFIZSLQYFK-NWDGAFQWSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C ZINC000313899247 393524476 /nfs/dbraw/zinc/52/44/76/393524476.db2.gz GHVWYKKUNSYAHS-UHFFFAOYSA-N 1 2 277.349 2.958 20 5 CFBDLO Cc1ccnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000429228806 393946181 /nfs/dbraw/zinc/94/61/81/393946181.db2.gz FYPAIXDYQCFQGV-UHFFFAOYSA-N 1 2 286.335 2.718 20 5 CFBDLO Cc1cnc(Nc2ccc3c(c2)[nH+]cn3C)c([N+](=O)[O-])c1 ZINC000439710079 394128024 /nfs/dbraw/zinc/12/80/24/394128024.db2.gz XIPHUUBVOZCIHA-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285837417 394154143 /nfs/dbraw/zinc/15/41/43/394154143.db2.gz XFXHGZLGVLJYFH-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285837417 394154145 /nfs/dbraw/zinc/15/41/45/394154145.db2.gz XFXHGZLGVLJYFH-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000133307283 394174210 /nfs/dbraw/zinc/17/42/10/394174210.db2.gz PSKROJRVWAZJFE-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000133307283 394174213 /nfs/dbraw/zinc/17/42/13/394174213.db2.gz PSKROJRVWAZJFE-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000290028226 394225834 /nfs/dbraw/zinc/22/58/34/394225834.db2.gz DRXYFBYOMZVDPI-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO COCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000494206282 394344274 /nfs/dbraw/zinc/34/42/74/394344274.db2.gz WEUMZLXQHNKLTE-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO COCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000494206282 394344277 /nfs/dbraw/zinc/34/42/77/394344277.db2.gz WEUMZLXQHNKLTE-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1COC1 ZINC000451283051 394372990 /nfs/dbraw/zinc/37/29/90/394372990.db2.gz FYHSNUIGGWIYKH-UHFFFAOYSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1COC1 ZINC000451283051 394372992 /nfs/dbraw/zinc/37/29/92/394372992.db2.gz FYHSNUIGGWIYKH-UHFFFAOYSA-N 1 2 294.351 2.603 20 5 CFBDLO CCc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000535748624 394542230 /nfs/dbraw/zinc/54/22/30/394542230.db2.gz UMDHRZWBCJYEJR-UHFFFAOYSA-N 1 2 299.330 2.843 20 5 CFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000355401711 155000173 /nfs/dbraw/zinc/00/01/73/155000173.db2.gz YDUPNWFWSHIJEG-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO Cc1ccc(C[NH2+][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000351600156 163153833 /nfs/dbraw/zinc/15/38/33/163153833.db2.gz ZDEXWTDKGSDIIC-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000352767003 163231179 /nfs/dbraw/zinc/23/11/79/163231179.db2.gz FAJNNXIIMVYBQE-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000352767003 163231182 /nfs/dbraw/zinc/23/11/82/163231182.db2.gz FAJNNXIIMVYBQE-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000010163044 170399270 /nfs/dbraw/zinc/39/92/70/170399270.db2.gz WJNXASRFLNUMJK-UHFFFAOYSA-N 1 2 257.249 2.551 20 5 CFBDLO C[C@@H]([NH2+]Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000040505344 174301522 /nfs/dbraw/zinc/30/15/22/174301522.db2.gz XYPYDVRMFLEISE-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444079 175935969 /nfs/dbraw/zinc/93/59/69/175935969.db2.gz IKWHOTCZVAWOLV-MRVPVSSYSA-N 1 2 264.260 2.641 20 5 CFBDLO Cc1cccnc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000071339926 176129844 /nfs/dbraw/zinc/12/98/44/176129844.db2.gz DLGKGMDSBYVNAZ-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000176188161 261268608 /nfs/dbraw/zinc/26/86/08/261268608.db2.gz BGKGFMSMUSGIRT-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000183178736 276533237 /nfs/dbraw/zinc/53/32/37/276533237.db2.gz LXXKMMFHXHUGRE-GFCCVEGCSA-N 1 2 274.324 2.569 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000091814906 278036011 /nfs/dbraw/zinc/03/60/11/278036011.db2.gz PVFFAGJADQBIEQ-GFCCVEGCSA-N 1 2 278.352 2.939 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000091814906 278036012 /nfs/dbraw/zinc/03/60/12/278036012.db2.gz PVFFAGJADQBIEQ-GFCCVEGCSA-N 1 2 278.352 2.939 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000290028235 278128159 /nfs/dbraw/zinc/12/81/59/278128159.db2.gz DRXYFBYOMZVDPI-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000450827389 280014122 /nfs/dbraw/zinc/01/41/22/280014122.db2.gz HQBRVNUXAFISPD-XVKPBYJWSA-N 1 2 293.714 2.958 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](F)C3)c2c1 ZINC000413294268 280371293 /nfs/dbraw/zinc/37/12/93/280371293.db2.gz ANDPSRYYXJJCCG-SNVBAGLBSA-N 1 2 261.256 2.691 20 5 CFBDLO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000190306737 280886377 /nfs/dbraw/zinc/88/63/77/280886377.db2.gz OHHQPOXLZNYERD-UHFFFAOYSA-N 1 2 289.320 2.582 20 5 CFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]c(C)cc1C ZINC000396978668 281199868 /nfs/dbraw/zinc/19/98/68/281199868.db2.gz LWQSWLVLQWELEJ-UHFFFAOYSA-N 1 2 289.339 2.744 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000398435820 281206268 /nfs/dbraw/zinc/20/62/68/281206268.db2.gz XEFRRGOMYBPHFO-DTWKUNHWSA-N 1 2 278.337 2.858 20 5 CFBDLO CC[C@H](F)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516142446 281299488 /nfs/dbraw/zinc/29/94/88/281299488.db2.gz RQMMGKWFPQRLFH-NSHDSACASA-N 1 2 252.289 2.701 20 5 CFBDLO CC[C@H](F)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516142446 281299489 /nfs/dbraw/zinc/29/94/89/281299489.db2.gz RQMMGKWFPQRLFH-NSHDSACASA-N 1 2 252.289 2.701 20 5 CFBDLO Cc1noc([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000565841680 290329912 /nfs/dbraw/zinc/32/99/12/290329912.db2.gz IAYSVWVAJNFYES-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000565841680 290329913 /nfs/dbraw/zinc/32/99/13/290329913.db2.gz IAYSVWVAJNFYES-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO COc1cc(C)nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000213481863 522292229 /nfs/dbraw/zinc/29/22/29/522292229.db2.gz YYDYFLHQCZGDGH-UHFFFAOYSA-N 1 2 287.319 2.597 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000315399569 524965426 /nfs/dbraw/zinc/96/54/26/524965426.db2.gz UWNCDRCTQVTSQS-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158059749 527401493 /nfs/dbraw/zinc/40/14/93/527401493.db2.gz TXWYLTPBIUMMSG-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000158059749 527401498 /nfs/dbraw/zinc/40/14/98/527401498.db2.gz TXWYLTPBIUMMSG-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO NC(Cc1cccs1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000731029506 574106824 /nfs/dbraw/zinc/10/68/24/574106824.db2.gz VMCJJDVGSCLUKW-UHFFFAOYSA-N 1 2 291.332 2.897 20 5 CFBDLO Cc1ccccc1C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000746708431 574163909 /nfs/dbraw/zinc/16/39/09/574163909.db2.gz HIDXVZIMSXAWFR-UHFFFAOYSA-N 1 2 286.335 2.722 20 5 CFBDLO Cc1ccccc1C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000746708431 574163910 /nfs/dbraw/zinc/16/39/10/574163910.db2.gz HIDXVZIMSXAWFR-UHFFFAOYSA-N 1 2 286.335 2.722 20 5 CFBDLO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000725794091 574309113 /nfs/dbraw/zinc/30/91/13/574309113.db2.gz IHAOOFBRZSLNMZ-UHFFFAOYSA-N 1 2 289.266 2.781 20 5 CFBDLO O=[N+]([O-])c1cc(-c2nc(C3CC3)no2)ccc1-n1cc[nH+]c1 ZINC000109534186 620119639 /nfs/dbraw/zinc/11/96/39/620119639.db2.gz MYTUWPABVQGPRT-UHFFFAOYSA-N 1 2 297.274 2.708 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839137285 626528134 /nfs/dbraw/zinc/52/81/34/626528134.db2.gz COQRWAUCGIQFPE-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012053 627879061 /nfs/dbraw/zinc/87/90/61/627879061.db2.gz AVJHOAWTHOHORX-FZMZJTMJSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012053 627879064 /nfs/dbraw/zinc/87/90/64/627879064.db2.gz AVJHOAWTHOHORX-FZMZJTMJSA-N 1 2 292.335 2.683 20 5 CFBDLO Cc1nn(C[N@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779868243 628415483 /nfs/dbraw/zinc/41/54/83/628415483.db2.gz XIBQBYCIUDLGNB-UHFFFAOYSA-N 1 2 278.356 2.735 20 5 CFBDLO Cc1nn(C[N@@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779868243 628415486 /nfs/dbraw/zinc/41/54/86/628415486.db2.gz XIBQBYCIUDLGNB-UHFFFAOYSA-N 1 2 278.356 2.735 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000791053703 629284172 /nfs/dbraw/zinc/28/41/72/629284172.db2.gz MVOJUJAPBISEIG-LLVKDONJSA-N 1 2 277.349 2.710 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000791053703 629284176 /nfs/dbraw/zinc/28/41/76/629284176.db2.gz MVOJUJAPBISEIG-LLVKDONJSA-N 1 2 277.349 2.710 20 5 CFBDLO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC(F)(F)CC3)c2c1 ZINC000794686715 629675922 /nfs/dbraw/zinc/67/59/22/629675922.db2.gz DWKWJBOVOHIRGU-UHFFFAOYSA-N 1 2 296.277 2.633 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC000846112862 632635431 /nfs/dbraw/zinc/63/54/31/632635431.db2.gz TYHKXYZUTSQQQO-DTORHVGOSA-N 1 2 288.681 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1Cl ZINC000846112862 632635433 /nfs/dbraw/zinc/63/54/33/632635433.db2.gz TYHKXYZUTSQQQO-DTORHVGOSA-N 1 2 288.681 2.945 20 5 CFBDLO Cc1c[nH+]c(CCNc2ccc(N)cc2[N+](=O)[O-])c(C)c1 ZINC000848755675 633336450 /nfs/dbraw/zinc/33/64/50/633336450.db2.gz AWGNWKCBGZXIIW-UHFFFAOYSA-N 1 2 286.335 2.843 20 5 CFBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000872033428 641564491 /nfs/dbraw/zinc/56/44/91/641564491.db2.gz GYEPQASFLJGTIQ-VIFPVBQESA-N 1 2 292.364 2.891 20 5 CFBDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880376382 644677533 /nfs/dbraw/zinc/67/75/33/644677533.db2.gz RCNTXSTZCQXYTE-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880376382 644677536 /nfs/dbraw/zinc/67/75/36/644677536.db2.gz RCNTXSTZCQXYTE-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880470896 644725980 /nfs/dbraw/zinc/72/59/80/644725980.db2.gz QYGKBIKFIJMDSS-RISCZKNCSA-N 1 2 294.351 2.595 20 5 CFBDLO COCc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000883131499 645618170 /nfs/dbraw/zinc/61/81/70/645618170.db2.gz FFEXUHPZDOKMAW-JTQLQIEISA-N 1 2 291.307 2.580 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc(CO)cc[nH+]1 ZINC000883147871 645626706 /nfs/dbraw/zinc/62/67/06/645626706.db2.gz MDCLCVTTYDXAMP-UHFFFAOYSA-N 1 2 287.319 2.711 20 5 CFBDLO Cc1cccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000885960303 646785037 /nfs/dbraw/zinc/78/50/37/646785037.db2.gz JAAQGLVDUPIGFJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000885960303 646785039 /nfs/dbraw/zinc/78/50/39/646785039.db2.gz JAAQGLVDUPIGFJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000886049003 646842574 /nfs/dbraw/zinc/84/25/74/646842574.db2.gz CXEWUUSIVWKHOQ-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000886049003 646842578 /nfs/dbraw/zinc/84/25/78/646842578.db2.gz CXEWUUSIVWKHOQ-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])s1 ZINC000886130212 646886520 /nfs/dbraw/zinc/88/65/20/646886520.db2.gz YRDQKBZZDBPDNQ-UHFFFAOYSA-N 1 2 292.364 2.780 20 5 CFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886301075 646958890 /nfs/dbraw/zinc/95/88/90/646958890.db2.gz VQNUTMTVFMWKON-SECBINFHSA-N 1 2 271.267 2.609 20 5 CFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886301075 646958892 /nfs/dbraw/zinc/95/88/92/646958892.db2.gz VQNUTMTVFMWKON-SECBINFHSA-N 1 2 271.267 2.609 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000930637426 649294060 /nfs/dbraw/zinc/29/40/60/649294060.db2.gz BNGBFNPLSVPQAS-NSHDSACASA-N 1 2 299.168 2.515 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000930637426 649294065 /nfs/dbraw/zinc/29/40/65/649294065.db2.gz BNGBFNPLSVPQAS-NSHDSACASA-N 1 2 299.168 2.515 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000930637423 649294441 /nfs/dbraw/zinc/29/44/41/649294441.db2.gz BNGBFNPLSVPQAS-LLVKDONJSA-N 1 2 299.168 2.515 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000930637423 649294445 /nfs/dbraw/zinc/29/44/45/649294445.db2.gz BNGBFNPLSVPQAS-LLVKDONJSA-N 1 2 299.168 2.515 20 5 CFBDLO Nc1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])cc[nH+]1 ZINC001167617198 770993293 /nfs/dbraw/zinc/99/32/93/770993293.db2.gz WUAFMGQKTAYCIB-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001226130831 775709928 /nfs/dbraw/zinc/70/99/28/775709928.db2.gz WBUGOVDKROTMNK-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO C[NH+]1CC(Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511483 775854853 /nfs/dbraw/zinc/85/48/53/775854853.db2.gz DYYXXNKEKYXQCZ-UHFFFAOYSA-N 1 2 281.311 2.639 20 5 CFBDLO CC[N@@H+](Cc1ccccc1C)Cn1nccc1[N+](=O)[O-] ZINC000123717352 776098117 /nfs/dbraw/zinc/09/81/17/776098117.db2.gz NTNNKOGVBIOLDS-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC[N@H+](Cc1ccccc1C)Cn1nccc1[N+](=O)[O-] ZINC000123717352 776098126 /nfs/dbraw/zinc/09/81/26/776098126.db2.gz NTNNKOGVBIOLDS-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC(C)[NH+]1CC(Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228208835 776422594 /nfs/dbraw/zinc/42/25/94/776422594.db2.gz HDBMOTRTASHQMX-UHFFFAOYSA-N 1 2 293.348 2.676 20 5 CFBDLO CC(C)[NH+]1CC(Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229961887 776926140 /nfs/dbraw/zinc/92/61/40/776926140.db2.gz HBMXRHNYQREVKO-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000710152606 781329459 /nfs/dbraw/zinc/32/94/59/781329459.db2.gz HMHCTYIYKCHBRS-MNOVXSKESA-N 1 2 274.324 2.740 20 5 CFBDLO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000594512326 349436736 /nfs/dbraw/zinc/43/67/36/349436736.db2.gz KPHFINPAZARVAV-WCQYABFASA-N 1 2 286.335 2.977 20 5 CFBDLO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591224 349453721 /nfs/dbraw/zinc/45/37/21/349453721.db2.gz IGKUVLNTHRHIQT-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591224 349453717 /nfs/dbraw/zinc/45/37/17/349453717.db2.gz IGKUVLNTHRHIQT-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591777 349453974 /nfs/dbraw/zinc/45/39/74/349453974.db2.gz KGGAEAYAQYXELW-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591777 349453977 /nfs/dbraw/zinc/45/39/77/349453977.db2.gz KGGAEAYAQYXELW-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO COCC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000594591961 349454057 /nfs/dbraw/zinc/45/40/57/349454057.db2.gz JBLXZMNLMNGLFK-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO Cc1cnc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594594971 349455250 /nfs/dbraw/zinc/45/52/50/349455250.db2.gz DQDNVLBEZBFMCJ-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124761509 187152286 /nfs/dbraw/zinc/15/22/86/187152286.db2.gz MAVBCLKBEVHBBO-VIFPVBQESA-N 1 2 280.715 2.945 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nccs1 ZINC000595020745 349552969 /nfs/dbraw/zinc/55/29/69/349552969.db2.gz ZVZOSCRIJJGDNV-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595292695 349593274 /nfs/dbraw/zinc/59/32/74/349593274.db2.gz SZNCBOFMGKZTKV-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595292695 349593277 /nfs/dbraw/zinc/59/32/77/349593277.db2.gz SZNCBOFMGKZTKV-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1noc(C[N@@H+](Cc2ccco2)C(C)C)c1[N+](=O)[O-] ZINC000595296676 349595237 /nfs/dbraw/zinc/59/52/37/349595237.db2.gz GYGXJSPMXXNWKC-UHFFFAOYSA-N 1 2 279.296 2.895 20 5 CFBDLO Cc1noc(C[N@H+](Cc2ccco2)C(C)C)c1[N+](=O)[O-] ZINC000595296676 349595241 /nfs/dbraw/zinc/59/52/41/349595241.db2.gz GYGXJSPMXXNWKC-UHFFFAOYSA-N 1 2 279.296 2.895 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000595427540 349622694 /nfs/dbraw/zinc/62/26/94/349622694.db2.gz ZJUYNFWEVXBUQX-ZJUUUORDSA-N 1 2 289.339 2.687 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595681826 349699654 /nfs/dbraw/zinc/69/96/54/349699654.db2.gz MQTUBCBAPJPRJC-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595681826 349699655 /nfs/dbraw/zinc/69/96/55/349699655.db2.gz MQTUBCBAPJPRJC-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716092 349715035 /nfs/dbraw/zinc/71/50/35/349715035.db2.gz VFTKSYRLFFESHZ-UTUOFQBUSA-N 1 2 276.336 2.813 20 5 CFBDLO CCn1cc[nH+]c1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000295073645 199330663 /nfs/dbraw/zinc/33/06/63/199330663.db2.gz WRJHWCPUMOJKRZ-UHFFFAOYSA-N 1 2 282.250 2.702 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000075589725 347086737 /nfs/dbraw/zinc/08/67/37/347086737.db2.gz NOOLADZAPDLIQG-TUAOUCFPSA-N 1 2 264.325 2.765 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000075589725 347086740 /nfs/dbraw/zinc/08/67/40/347086740.db2.gz NOOLADZAPDLIQG-TUAOUCFPSA-N 1 2 264.325 2.765 20 5 CFBDLO CNc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000010162898 346226145 /nfs/dbraw/zinc/22/61/45/346226145.db2.gz ZGQHIJZTUATXHY-UHFFFAOYSA-N 1 2 286.291 2.592 20 5 CFBDLO COCC[N@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000046600821 346429965 /nfs/dbraw/zinc/42/99/65/346429965.db2.gz GVRZNNUVEQGRRK-UHFFFAOYSA-N 1 2 290.319 2.836 20 5 CFBDLO COCC[N@@H+](Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000046600821 346429968 /nfs/dbraw/zinc/42/99/68/346429968.db2.gz GVRZNNUVEQGRRK-UHFFFAOYSA-N 1 2 290.319 2.836 20 5 CFBDLO Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078628487 347266348 /nfs/dbraw/zinc/26/63/48/347266348.db2.gz BXPAQVLGUIJVQN-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080949567 347387301 /nfs/dbraw/zinc/38/73/01/347387301.db2.gz BJAJBHKYMMXYBI-UHFFFAOYSA-N 1 2 283.291 2.787 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC12CCC2 ZINC000081577954 347428478 /nfs/dbraw/zinc/42/84/78/347428478.db2.gz HKWLNUALSMZXRE-UHFFFAOYSA-N 1 2 250.273 2.862 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC12CCC2 ZINC000081577954 347428481 /nfs/dbraw/zinc/42/84/81/347428481.db2.gz HKWLNUALSMZXRE-UHFFFAOYSA-N 1 2 250.273 2.862 20 5 CFBDLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091937320 347604022 /nfs/dbraw/zinc/60/40/22/347604022.db2.gz GGTWVQCCUVSZCH-NXEZZACHSA-N 1 2 250.298 2.673 20 5 CFBDLO CC(C)CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091964093 347604157 /nfs/dbraw/zinc/60/41/57/347604157.db2.gz VTXDGRGRBDBEMS-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091964093 347604160 /nfs/dbraw/zinc/60/41/60/347604160.db2.gz VTXDGRGRBDBEMS-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO C[N@H+](CCC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092477816 347628575 /nfs/dbraw/zinc/62/85/75/347628575.db2.gz GBXFEAUREXRKAQ-UHFFFAOYSA-N 1 2 278.230 2.685 20 5 CFBDLO C[N@@H+](CCC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092477816 347628576 /nfs/dbraw/zinc/62/85/76/347628576.db2.gz GBXFEAUREXRKAQ-UHFFFAOYSA-N 1 2 278.230 2.685 20 5 CFBDLO COc1cc(NCCc2cccc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000281568464 348343021 /nfs/dbraw/zinc/34/30/21/348343021.db2.gz VHILTHKPIATHCK-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC23CCOCC3)c(F)c1 ZINC000590728682 348938002 /nfs/dbraw/zinc/93/80/02/348938002.db2.gz MTLOZZWTFDSOJY-UHFFFAOYSA-N 1 2 298.289 2.628 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC23CCOCC3)c(F)c1 ZINC000590728682 348938005 /nfs/dbraw/zinc/93/80/05/348938005.db2.gz MTLOZZWTFDSOJY-UHFFFAOYSA-N 1 2 298.289 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOC4(CCC4)C3)c2c1 ZINC000591152176 348993312 /nfs/dbraw/zinc/99/33/12/348993312.db2.gz YESJGERSLNQSSQ-UHFFFAOYSA-N 1 2 299.330 2.902 20 5 CFBDLO CCOCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062221 350368384 /nfs/dbraw/zinc/36/83/84/350368384.db2.gz KPHNKVODMPFPFY-UHFFFAOYSA-N 1 2 275.308 2.616 20 5 CFBDLO O=[N+]([O-])c1c(NC2CCOCC2)ccc2c[nH+]ccc21 ZINC000599025005 350361268 /nfs/dbraw/zinc/36/12/68/350361268.db2.gz WIAMFVKMHNGJQZ-UHFFFAOYSA-N 1 2 273.292 2.734 20 5 CFBDLO CO[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039594 350362900 /nfs/dbraw/zinc/36/29/00/350362900.db2.gz BGUVBXLVDCRZFQ-LBPRGKRZSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092017317 180307840 /nfs/dbraw/zinc/30/78/40/180307840.db2.gz JEFRSIBOBZFSSA-JOVKLMRISA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092017317 180307843 /nfs/dbraw/zinc/30/78/43/180307843.db2.gz JEFRSIBOBZFSSA-JOVKLMRISA-N 1 2 276.336 2.717 20 5 CFBDLO CN(CCCCCO)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599076682 350371783 /nfs/dbraw/zinc/37/17/83/350371783.db2.gz DRXSEAPSZNLMLT-UHFFFAOYSA-N 1 2 289.335 2.742 20 5 CFBDLO C/C=C\C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599081457 350372662 /nfs/dbraw/zinc/37/26/62/350372662.db2.gz LITQBEBKXDSXMS-NQHOJNORSA-N 1 2 286.335 2.583 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000599098947 350375868 /nfs/dbraw/zinc/37/58/68/350375868.db2.gz DXJACDRIBBENNB-ZDUSSCGKSA-N 1 2 298.346 2.996 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000599100112 350376128 /nfs/dbraw/zinc/37/61/28/350376128.db2.gz JVPICHYWIQVFMM-LBPRGKRZSA-N 1 2 284.319 2.687 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000599102694 350376451 /nfs/dbraw/zinc/37/64/51/350376451.db2.gz SOFZGALECZMOSJ-JTQLQIEISA-N 1 2 290.348 2.749 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2C[C@H]2C1 ZINC000599110027 350377321 /nfs/dbraw/zinc/37/73/21/350377321.db2.gz CNYIZXBSUSOUPS-JQWIXIFHSA-N 1 2 269.304 2.989 20 5 CFBDLO CO[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599196282 350394125 /nfs/dbraw/zinc/39/41/25/350394125.db2.gz XQUHYJHATQYEQG-XYPYZODXSA-N 1 2 273.292 2.732 20 5 CFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599629131 350467984 /nfs/dbraw/zinc/46/79/84/350467984.db2.gz XEGDUPYQFHARTK-SECBINFHSA-N 1 2 286.278 2.920 20 5 CFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599629131 350467989 /nfs/dbraw/zinc/46/79/89/350467989.db2.gz XEGDUPYQFHARTK-SECBINFHSA-N 1 2 286.278 2.920 20 5 CFBDLO Cc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000600159029 350524395 /nfs/dbraw/zinc/52/43/95/350524395.db2.gz FCSOMHTWJGQMTC-UHFFFAOYSA-N 1 2 288.351 2.609 20 5 CFBDLO Cc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000600159029 350524398 /nfs/dbraw/zinc/52/43/98/350524398.db2.gz FCSOMHTWJGQMTC-UHFFFAOYSA-N 1 2 288.351 2.609 20 5 CFBDLO Cc1[nH]c(CN(C)CCc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000600159029 350524400 /nfs/dbraw/zinc/52/44/00/350524400.db2.gz FCSOMHTWJGQMTC-UHFFFAOYSA-N 1 2 288.351 2.609 20 5 CFBDLO CC(C)Nc1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600783426 350610715 /nfs/dbraw/zinc/61/07/15/350610715.db2.gz VJVPPTFDSGWHGN-UHFFFAOYSA-N 1 2 287.319 2.969 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275948 186387179 /nfs/dbraw/zinc/38/71/79/186387179.db2.gz CANRWYCPSZRTLW-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275948 186387181 /nfs/dbraw/zinc/38/71/81/186387181.db2.gz CANRWYCPSZRTLW-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000602488004 350904161 /nfs/dbraw/zinc/90/41/61/350904161.db2.gz YBTKTRDFONPXRM-BXUZGUMPSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000602488004 350904166 /nfs/dbraw/zinc/90/41/66/350904166.db2.gz YBTKTRDFONPXRM-BXUZGUMPSA-N 1 2 286.335 2.521 20 5 CFBDLO C[N@H+](Cc1ccns1)Cc1cccc([N+](=O)[O-])c1 ZINC000602438237 350882801 /nfs/dbraw/zinc/88/28/01/350882801.db2.gz CTEAEVUUQHCXNN-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1ccns1)Cc1cccc([N+](=O)[O-])c1 ZINC000602438237 350882803 /nfs/dbraw/zinc/88/28/03/350882803.db2.gz CTEAEVUUQHCXNN-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[C@@H](c1ccco1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602798937 351029132 /nfs/dbraw/zinc/02/91/32/351029132.db2.gz YXKTUWRXCXNSNC-JTQLQIEISA-N 1 2 290.323 2.647 20 5 CFBDLO C[C@@H](c1ccco1)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602798937 351029134 /nfs/dbraw/zinc/02/91/34/351029134.db2.gz YXKTUWRXCXNSNC-JTQLQIEISA-N 1 2 290.323 2.647 20 5 CFBDLO COc1cc(C[N@H+](C)Cc2ccns2)ccc1[N+](=O)[O-] ZINC000602881271 351056529 /nfs/dbraw/zinc/05/65/29/351056529.db2.gz FLQRMYPYNLMTRI-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1cc(C[N@@H+](C)Cc2ccns2)ccc1[N+](=O)[O-] ZINC000602881271 351056531 /nfs/dbraw/zinc/05/65/31/351056531.db2.gz FLQRMYPYNLMTRI-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602901132 351061637 /nfs/dbraw/zinc/06/16/37/351061637.db2.gz WZUFNLGCMOLLFD-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602901132 351061639 /nfs/dbraw/zinc/06/16/39/351061639.db2.gz WZUFNLGCMOLLFD-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)F ZINC000603427122 351162293 /nfs/dbraw/zinc/16/22/93/351162293.db2.gz BFGGXQLJHKYSOV-OIBJUYFYSA-N 1 2 256.252 2.825 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000609560672 351507093 /nfs/dbraw/zinc/50/70/93/351507093.db2.gz JDIMUYPMVUUDCA-UHFFFAOYSA-N 1 2 278.337 2.694 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000610228250 351541520 /nfs/dbraw/zinc/54/15/20/351541520.db2.gz ALRDFEVCRCFFID-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000610410624 351563884 /nfs/dbraw/zinc/56/38/84/351563884.db2.gz LGQULWZFURKQBG-UTUOFQBUSA-N 1 2 262.309 2.519 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000610410624 351563888 /nfs/dbraw/zinc/56/38/88/351563888.db2.gz LGQULWZFURKQBG-UTUOFQBUSA-N 1 2 262.309 2.519 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000611268529 351661513 /nfs/dbraw/zinc/66/15/13/351661513.db2.gz DSALKMJUDREARE-CYBMUJFWSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000611268529 351661514 /nfs/dbraw/zinc/66/15/14/351661514.db2.gz DSALKMJUDREARE-CYBMUJFWSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000611271352 351661133 /nfs/dbraw/zinc/66/11/33/351661133.db2.gz VCKRMGVODRDHBS-LLVKDONJSA-N 1 2 288.303 2.883 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000611271352 351661137 /nfs/dbraw/zinc/66/11/37/351661137.db2.gz VCKRMGVODRDHBS-LLVKDONJSA-N 1 2 288.303 2.883 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1F ZINC000611502203 351699104 /nfs/dbraw/zinc/69/91/04/351699104.db2.gz PHJJZLGGSCVZSV-JOYOIKCWSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1F ZINC000611502203 351699105 /nfs/dbraw/zinc/69/91/05/351699105.db2.gz PHJJZLGGSCVZSV-JOYOIKCWSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000611502386 351699437 /nfs/dbraw/zinc/69/94/37/351699437.db2.gz RWRSIGGSDKHZTN-NOZJJQNGSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000611502386 351699439 /nfs/dbraw/zinc/69/94/39/351699439.db2.gz RWRSIGGSDKHZTN-NOZJJQNGSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1F ZINC000611502406 351699480 /nfs/dbraw/zinc/69/94/80/351699480.db2.gz RZTWXVRLWZJELG-GXSJLCMTSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1F ZINC000611502406 351699483 /nfs/dbraw/zinc/69/94/83/351699483.db2.gz RZTWXVRLWZJELG-GXSJLCMTSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611502856 351700168 /nfs/dbraw/zinc/70/01/68/351700168.db2.gz ZKINTSXGAVCZAI-ZWNOBZJWSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611502856 351700170 /nfs/dbraw/zinc/70/01/70/351700170.db2.gz ZKINTSXGAVCZAI-ZWNOBZJWSA-N 1 2 252.289 2.775 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381627 351948417 /nfs/dbraw/zinc/94/84/17/351948417.db2.gz LYTUQIBQHNJOIH-CABZTGNLSA-N 1 2 280.299 2.727 20 5 CFBDLO COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381627 351948419 /nfs/dbraw/zinc/94/84/19/351948419.db2.gz LYTUQIBQHNJOIH-CABZTGNLSA-N 1 2 280.299 2.727 20 5 CFBDLO Cc1ccnc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000616745314 352427193 /nfs/dbraw/zinc/42/71/93/352427193.db2.gz AEVDDFYXTSLCIJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccnc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000616745314 352427196 /nfs/dbraw/zinc/42/71/96/352427196.db2.gz AEVDDFYXTSLCIJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000619531735 353033322 /nfs/dbraw/zinc/03/33/22/353033322.db2.gz XABXAFJSFYYXLL-GXFFZTMASA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000619531735 353033324 /nfs/dbraw/zinc/03/33/24/353033324.db2.gz XABXAFJSFYYXLL-GXFFZTMASA-N 1 2 282.315 2.783 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292592534 198344185 /nfs/dbraw/zinc/34/41/85/198344185.db2.gz VEFQQSNJZAJLLT-UHFFFAOYSA-N 1 2 280.715 2.618 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000294865170 199221154 /nfs/dbraw/zinc/22/11/54/199221154.db2.gz ANQPVFQCDOXOKB-UHFFFAOYSA-N 1 2 286.335 2.925 20 5 CFBDLO C[C@@H](CNc1sccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000301929190 201267207 /nfs/dbraw/zinc/26/72/07/201267207.db2.gz JECPCHXKKMTLOX-VIFPVBQESA-N 1 2 266.326 2.601 20 5 CFBDLO Cc1cc([NH+](C)C)ccc1Nc1ncc([N+](=O)[O-])cn1 ZINC000302172973 201380975 /nfs/dbraw/zinc/38/09/75/201380975.db2.gz VRHDPAMZWLGIFH-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO C[C@@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000330609252 203034642 /nfs/dbraw/zinc/03/46/42/203034642.db2.gz LVYANOASWALQAJ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000330609252 203034645 /nfs/dbraw/zinc/03/46/45/203034645.db2.gz LVYANOASWALQAJ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)F ZINC000459550534 245214695 /nfs/dbraw/zinc/21/46/95/245214695.db2.gz UHFKTODTYSALKH-UITAMQMPSA-N 1 2 256.252 2.853 20 5 CFBDLO CCOC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459612410 245241613 /nfs/dbraw/zinc/24/16/13/245241613.db2.gz BBSGTSNHUSQRQN-VURMDHGXSA-N 1 2 276.336 2.719 20 5 CFBDLO Cc1ccoc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459624094 245246452 /nfs/dbraw/zinc/24/64/52/245246452.db2.gz UEBSNWWNPKVPRW-UHFFFAOYSA-N 1 2 288.303 2.759 20 5 CFBDLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000070444400 374175414 /nfs/dbraw/zinc/17/54/14/374175414.db2.gz DKPBFEKGSIBMHT-JTQLQIEISA-N 1 2 260.297 2.810 20 5 CFBDLO C[N@H+](CCOCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000088599870 374857388 /nfs/dbraw/zinc/85/73/88/374857388.db2.gz QAWQMSWVASHFSN-UHFFFAOYSA-N 1 2 270.354 2.515 20 5 CFBDLO C[N@@H+](CCOCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000088599870 374857390 /nfs/dbraw/zinc/85/73/90/374857390.db2.gz QAWQMSWVASHFSN-UHFFFAOYSA-N 1 2 270.354 2.515 20 5 CFBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000120009893 376525982 /nfs/dbraw/zinc/52/59/82/376525982.db2.gz YFRYUNSERBSYCV-GFCCVEGCSA-N 1 2 284.381 2.903 20 5 CFBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000120009893 376525993 /nfs/dbraw/zinc/52/59/93/376525993.db2.gz YFRYUNSERBSYCV-GFCCVEGCSA-N 1 2 284.381 2.903 20 5 CFBDLO CC(C)CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000120010071 376526457 /nfs/dbraw/zinc/52/64/57/376526457.db2.gz YFRYUNSERBSYCV-LBPRGKRZSA-N 1 2 284.381 2.903 20 5 CFBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000120010071 376526473 /nfs/dbraw/zinc/52/64/73/376526473.db2.gz YFRYUNSERBSYCV-LBPRGKRZSA-N 1 2 284.381 2.903 20 5 CFBDLO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000135986698 378174326 /nfs/dbraw/zinc/17/43/26/378174326.db2.gz SAPOPNIGNNUBEK-UHFFFAOYSA-N 1 2 272.308 2.517 20 5 CFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1[N+](=O)[O-] ZINC000148682959 378259206 /nfs/dbraw/zinc/25/92/06/378259206.db2.gz OQYSYYDJGZNKKS-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000153103490 378473580 /nfs/dbraw/zinc/47/35/80/378473580.db2.gz BABOEYWPCXBBDC-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000153103490 378473585 /nfs/dbraw/zinc/47/35/85/378473585.db2.gz BABOEYWPCXBBDC-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO C[C@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332240579 378740040 /nfs/dbraw/zinc/74/00/40/378740040.db2.gz URFDALISEHCPNP-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332240579 378740044 /nfs/dbraw/zinc/74/00/44/378740044.db2.gz URFDALISEHCPNP-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278511161 194019135 /nfs/dbraw/zinc/01/91/35/194019135.db2.gz BJMYYDMAHLKLAW-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000278511161 194019137 /nfs/dbraw/zinc/01/91/37/194019137.db2.gz BJMYYDMAHLKLAW-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000173388148 379735054 /nfs/dbraw/zinc/73/50/54/379735054.db2.gz XRSFYGLCLRTCEM-VIFPVBQESA-N 1 2 288.307 2.706 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353933167 380968663 /nfs/dbraw/zinc/96/86/63/380968663.db2.gz VBPIDJMZUIUPGD-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353933167 380968673 /nfs/dbraw/zinc/96/86/73/380968673.db2.gz VBPIDJMZUIUPGD-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H](NCc1[nH+]cc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000341371159 380972566 /nfs/dbraw/zinc/97/25/66/380972566.db2.gz ZPFGHANPECZARX-CQSZACIVSA-N 1 2 288.351 2.878 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295609929 380973288 /nfs/dbraw/zinc/97/32/88/380973288.db2.gz DRCLFLDGZVBUFZ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295609929 380973293 /nfs/dbraw/zinc/97/32/93/380973293.db2.gz DRCLFLDGZVBUFZ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000183309621 381251507 /nfs/dbraw/zinc/25/15/07/381251507.db2.gz FULBNVMLEYEALC-UHFFFAOYSA-N 1 2 289.379 2.573 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C2CC2)CC1 ZINC000183309621 381251517 /nfs/dbraw/zinc/25/15/17/381251517.db2.gz FULBNVMLEYEALC-UHFFFAOYSA-N 1 2 289.379 2.573 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)n1 ZINC000359100829 381265969 /nfs/dbraw/zinc/26/59/69/381265969.db2.gz QDBAGBXQHQIAPA-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000290099485 381299533 /nfs/dbraw/zinc/29/95/33/381299533.db2.gz HXPGQXYHAKGELM-VIFPVBQESA-N 1 2 292.364 2.860 20 5 CFBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1[nH]cc[nH+]1 ZINC000347957677 381434514 /nfs/dbraw/zinc/43/45/14/381434514.db2.gz MDFKAXVUOYDWBH-MRVPVSSYSA-N 1 2 294.336 2.569 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000342657621 381461270 /nfs/dbraw/zinc/46/12/70/381461270.db2.gz JVXLOORIIYPOTO-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000342657621 381461276 /nfs/dbraw/zinc/46/12/76/381461276.db2.gz JVXLOORIIYPOTO-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2CC2(O)CCCC2)cc1 ZINC000348947973 381774830 /nfs/dbraw/zinc/77/48/30/381774830.db2.gz FJIKMUZHKZGERM-UHFFFAOYSA-N 1 2 287.319 2.763 20 5 CFBDLO Cc1noc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000356933493 381911228 /nfs/dbraw/zinc/91/12/28/381911228.db2.gz ZZLBDIJFHOUMCZ-STUBTGCMSA-N 1 2 288.307 2.650 20 5 CFBDLO O=[N+]([O-])c1cnccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000357044594 381986385 /nfs/dbraw/zinc/98/63/85/381986385.db2.gz SXCHGGAUYWFJFW-UHFFFAOYSA-N 1 2 299.334 2.541 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000362398648 382049404 /nfs/dbraw/zinc/04/94/04/382049404.db2.gz XDOZOPDVIZWICP-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000362400783 382051679 /nfs/dbraw/zinc/05/16/79/382051679.db2.gz GMUCRKHFVDVZJO-UHFFFAOYSA-N 1 2 277.305 2.920 20 5 CFBDLO O=[N+]([O-])c1ccc2nc(NCCCn3cc[nH+]c3)ccc2c1 ZINC000301063373 382070384 /nfs/dbraw/zinc/07/03/84/382070384.db2.gz COJCDPCJEIYJAU-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c2ncccc12 ZINC000301073960 382074746 /nfs/dbraw/zinc/07/47/46/382074746.db2.gz KGFDORWQLMIDHP-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO Cc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000357456978 382178665 /nfs/dbraw/zinc/17/86/65/382178665.db2.gz UAXNFLREXJFDCS-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[N@H+](Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352628336 382423095 /nfs/dbraw/zinc/42/30/95/382423095.db2.gz LXNQWSCEKPAKBK-UHFFFAOYSA-N 1 2 263.272 2.694 20 5 CFBDLO C[N@@H+](Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352628336 382423099 /nfs/dbraw/zinc/42/30/99/382423099.db2.gz LXNQWSCEKPAKBK-UHFFFAOYSA-N 1 2 263.272 2.694 20 5 CFBDLO Cc1ncccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621559 382420801 /nfs/dbraw/zinc/42/08/01/382420801.db2.gz QYPBVJSYTVZBIF-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1ncccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621559 382420802 /nfs/dbraw/zinc/42/08/02/382420802.db2.gz QYPBVJSYTVZBIF-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365887270 382455108 /nfs/dbraw/zinc/45/51/08/382455108.db2.gz XZWZHUIZGMRGPK-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365887270 382455111 /nfs/dbraw/zinc/45/51/11/382455111.db2.gz XZWZHUIZGMRGPK-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295185114 382579840 /nfs/dbraw/zinc/57/98/40/382579840.db2.gz ICVOPLROTVRQJO-LLVKDONJSA-N 1 2 274.324 2.662 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000223214805 382804340 /nfs/dbraw/zinc/80/43/40/382804340.db2.gz QNZQVHTZRKDFAX-MRVPVSSYSA-N 1 2 282.250 2.570 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000578309001 382908672 /nfs/dbraw/zinc/90/86/72/382908672.db2.gz WWWNXSOCTDJSSC-CQSZACIVSA-N 1 2 294.376 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000578309001 382908675 /nfs/dbraw/zinc/90/86/75/382908675.db2.gz WWWNXSOCTDJSSC-CQSZACIVSA-N 1 2 294.376 2.628 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC000577650363 382866862 /nfs/dbraw/zinc/86/68/62/382866862.db2.gz OUSBVTOHWHMOQI-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO Cc1cccc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000235457400 382882148 /nfs/dbraw/zinc/88/21/48/382882148.db2.gz SHOSNXWUKRXWFQ-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO CC[C@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339016521 383122372 /nfs/dbraw/zinc/12/23/72/383122372.db2.gz BRNBYVRAKSEZDD-CQSZACIVSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339016521 383122378 /nfs/dbraw/zinc/12/23/78/383122378.db2.gz BRNBYVRAKSEZDD-CQSZACIVSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339083976 383144032 /nfs/dbraw/zinc/14/40/32/383144032.db2.gz OOKHTZCYMHMVSA-ZJUUUORDSA-N 1 2 252.314 2.825 20 5 CFBDLO CC1=C[C@@H](C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339157525 383170987 /nfs/dbraw/zinc/17/09/87/383170987.db2.gz ZVGGUEPZTZKKQT-SNVBAGLBSA-N 1 2 262.309 2.698 20 5 CFBDLO CC1=C[C@@H](C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339157525 383170991 /nfs/dbraw/zinc/17/09/91/383170991.db2.gz ZVGGUEPZTZKKQT-SNVBAGLBSA-N 1 2 262.309 2.698 20 5 CFBDLO Cc1ncc2c(n1)CC[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000518555882 383203495 /nfs/dbraw/zinc/20/34/95/383203495.db2.gz WHBZULPHLMPTLN-LLVKDONJSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ncc2c(n1)CC[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000518555882 383203501 /nfs/dbraw/zinc/20/35/01/383203501.db2.gz WHBZULPHLMPTLN-LLVKDONJSA-N 1 2 298.346 2.813 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000449390215 383258378 /nfs/dbraw/zinc/25/83/78/383258378.db2.gz VJCUBKQSIAIKJI-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](F)C1 ZINC000449390215 383258381 /nfs/dbraw/zinc/25/83/81/383258381.db2.gz VJCUBKQSIAIKJI-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339617965 383263909 /nfs/dbraw/zinc/26/39/09/383263909.db2.gz GBWRCNXWTSJVQO-JHJVBQTASA-N 1 2 277.368 2.680 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339679845 383286458 /nfs/dbraw/zinc/28/64/58/383286458.db2.gz NEZWUCOQQCCOPL-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339679845 383286463 /nfs/dbraw/zinc/28/64/63/383286463.db2.gz NEZWUCOQQCCOPL-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000450831003 383510675 /nfs/dbraw/zinc/51/06/75/383510675.db2.gz PAXPBRZGORCOQI-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000450831754 383510852 /nfs/dbraw/zinc/51/08/52/383510852.db2.gz QAVJJDZCORRGKH-GHMZBOCLSA-N 1 2 287.323 2.921 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000450835161 383513211 /nfs/dbraw/zinc/51/32/11/383513211.db2.gz WLMXIXRYIMYINA-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000450835306 383513436 /nfs/dbraw/zinc/51/34/36/383513436.db2.gz WVPKBMSBZXLEJT-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO Cc1cc(NC[C@H]2C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489161078 383598150 /nfs/dbraw/zinc/59/81/50/383598150.db2.gz HSCVCVDIKRFQQO-ZWNOBZJWSA-N 1 2 298.346 2.850 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccn1 ZINC000451364409 383598502 /nfs/dbraw/zinc/59/85/02/383598502.db2.gz CWHFKCQREFBQOU-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccn1 ZINC000451364409 383598505 /nfs/dbraw/zinc/59/85/05/383598505.db2.gz CWHFKCQREFBQOU-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280852123 195001868 /nfs/dbraw/zinc/00/18/68/195001868.db2.gz YCYXFWMDXZGTSS-UHFFFAOYSA-N 1 2 289.335 2.575 20 5 CFBDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280852123 195001871 /nfs/dbraw/zinc/00/18/71/195001871.db2.gz YCYXFWMDXZGTSS-UHFFFAOYSA-N 1 2 289.335 2.575 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353367 383989633 /nfs/dbraw/zinc/98/96/33/383989633.db2.gz DLLASZCSLXQUHI-RWMBFGLXSA-N 1 2 278.352 2.901 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353367 383989642 /nfs/dbraw/zinc/98/96/42/383989642.db2.gz DLLASZCSLXQUHI-RWMBFGLXSA-N 1 2 278.352 2.901 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438382502 383997251 /nfs/dbraw/zinc/99/72/51/383997251.db2.gz PDDASBNCJMAOKR-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438382502 383997259 /nfs/dbraw/zinc/99/72/59/383997259.db2.gz PDDASBNCJMAOKR-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694228 384725485 /nfs/dbraw/zinc/72/54/85/384725485.db2.gz GGURWSWFRZSHFA-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694228 384725491 /nfs/dbraw/zinc/72/54/91/384725491.db2.gz GGURWSWFRZSHFA-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000288510724 197098928 /nfs/dbraw/zinc/09/89/28/197098928.db2.gz SVRBYBXTEFTRJQ-UHFFFAOYSA-N 1 2 287.319 2.751 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000341932661 130161833 /nfs/dbraw/zinc/16/18/33/130161833.db2.gz IFGDCDQEACLYFO-UHFFFAOYSA-N 1 2 295.302 2.992 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000355350393 130286046 /nfs/dbraw/zinc/28/60/46/130286046.db2.gz BXHNWWOEFOKSCK-AWEZNQCLSA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000355350393 130286049 /nfs/dbraw/zinc/28/60/49/130286049.db2.gz BXHNWWOEFOKSCK-AWEZNQCLSA-N 1 2 298.314 2.546 20 5 CFBDLO COC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000184589827 393529203 /nfs/dbraw/zinc/52/92/03/393529203.db2.gz ZFWQAHKIAGQJNT-LBPRGKRZSA-N 1 2 294.282 2.804 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000430193347 393966091 /nfs/dbraw/zinc/96/60/91/393966091.db2.gz DPOSTOUUTNUSFO-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000430193347 393966092 /nfs/dbraw/zinc/96/60/92/393966092.db2.gz DPOSTOUUTNUSFO-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268261968 393990807 /nfs/dbraw/zinc/99/08/07/393990807.db2.gz MRIJOPGNLFOMJL-WFASDCNBSA-N 1 2 286.335 2.879 20 5 CFBDLO Cc1cccc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000275461928 394046691 /nfs/dbraw/zinc/04/66/91/394046691.db2.gz MVZRDKDBPLAYKF-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO CC[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420961452 394141551 /nfs/dbraw/zinc/14/15/51/394141551.db2.gz SIKHIXLHLZRFFB-GJZGRUSLSA-N 1 2 278.352 2.984 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000152089161 394270616 /nfs/dbraw/zinc/27/06/16/394270616.db2.gz QKRNWLNCJMTBEN-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000152089161 394270617 /nfs/dbraw/zinc/27/06/17/394270617.db2.gz QKRNWLNCJMTBEN-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO Cc1cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450828094 394341370 /nfs/dbraw/zinc/34/13/70/394341370.db2.gz JRDKKSZTQANHAB-ZJUUUORDSA-N 1 2 273.296 2.613 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000359511789 296511354 /nfs/dbraw/zinc/51/13/54/296511354.db2.gz ADVADOGANFADGW-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355803156 292191211 /nfs/dbraw/zinc/19/12/11/292191211.db2.gz QZJISNSNUVVJJE-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355803156 292191214 /nfs/dbraw/zinc/19/12/14/292191214.db2.gz QZJISNSNUVVJJE-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1nc(N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000343262164 154159848 /nfs/dbraw/zinc/15/98/48/154159848.db2.gz GPRMDMUYTQNSDI-CYBMUJFWSA-N 1 2 287.323 2.595 20 5 CFBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660628 155057835 /nfs/dbraw/zinc/05/78/35/155057835.db2.gz NWTZBCMUYGBTTB-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660628 155057837 /nfs/dbraw/zinc/05/78/37/155057837.db2.gz NWTZBCMUYGBTTB-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3cccc(F)c32)c1 ZINC000374676949 157147940 /nfs/dbraw/zinc/14/79/40/157147940.db2.gz IAZLELSRHMGHNC-CYBMUJFWSA-N 1 2 288.278 2.957 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000375331707 157228393 /nfs/dbraw/zinc/22/83/93/157228393.db2.gz LPCJNBYOIACQSG-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000375331707 157228394 /nfs/dbraw/zinc/22/83/94/157228394.db2.gz LPCJNBYOIACQSG-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350390720 163075529 /nfs/dbraw/zinc/07/55/29/163075529.db2.gz KZEQUMSYVLXCKK-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350390720 163075531 /nfs/dbraw/zinc/07/55/31/163075531.db2.gz KZEQUMSYVLXCKK-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO CC[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000353338485 163348812 /nfs/dbraw/zinc/34/88/12/163348812.db2.gz UWBWWYIENDFKBU-GXFFZTMASA-N 1 2 289.339 2.525 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500153 287256624 /nfs/dbraw/zinc/25/66/24/287256624.db2.gz HNRXUBJPXAUUMJ-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500153 287256626 /nfs/dbraw/zinc/25/66/26/287256626.db2.gz HNRXUBJPXAUUMJ-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1c(C[N@H+]2[C@H](C)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000077367939 177258234 /nfs/dbraw/zinc/25/82/34/177258234.db2.gz MJCKFFDVFFLNPT-PHIMTYICSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2[C@H](C)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000077367939 177258235 /nfs/dbraw/zinc/25/82/35/177258235.db2.gz MJCKFFDVFFLNPT-PHIMTYICSA-N 1 2 264.325 2.512 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn[nH]1 ZINC000526046463 260174930 /nfs/dbraw/zinc/17/49/30/260174930.db2.gz BNCCWGJAFJHUCL-YRNVUSSQSA-N 1 2 272.308 2.511 20 5 CFBDLO CNc1c(C(=O)Nc2cc[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC000161505840 277301527 /nfs/dbraw/zinc/30/15/27/277301527.db2.gz UJBPUUKGGRFSIQ-UHFFFAOYSA-N 1 2 286.291 2.592 20 5 CFBDLO COc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352526905 277376888 /nfs/dbraw/zinc/37/68/88/277376888.db2.gz TWRMPXRRGJLNIZ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352526905 277376889 /nfs/dbraw/zinc/37/68/89/277376889.db2.gz TWRMPXRRGJLNIZ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123465 278378154 /nfs/dbraw/zinc/37/81/54/278378154.db2.gz FYGHUAIBWMCBQO-CMPLNLGQSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123465 278378155 /nfs/dbraw/zinc/37/81/55/278378155.db2.gz FYGHUAIBWMCBQO-CMPLNLGQSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cccc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000275472928 278922066 /nfs/dbraw/zinc/92/20/66/278922066.db2.gz OIIQWJGLTNBNCL-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000049390431 280366843 /nfs/dbraw/zinc/36/68/43/280366843.db2.gz RNGQDDXRQFFEBC-UHFFFAOYSA-N 1 2 281.743 2.533 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000339052975 280368981 /nfs/dbraw/zinc/36/89/81/280368981.db2.gz FARQEZLNZLAOJK-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000339052975 280368984 /nfs/dbraw/zinc/36/89/84/280368984.db2.gz FARQEZLNZLAOJK-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000080239883 280538399 /nfs/dbraw/zinc/53/83/99/280538399.db2.gz NBPVXCUDAHHRMO-ZDUSSCGKSA-N 1 2 276.292 2.665 20 5 CFBDLO Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000255615774 281103433 /nfs/dbraw/zinc/10/34/33/281103433.db2.gz LGOSZSHWGBACTK-DAXSKMNVSA-N 1 2 283.287 2.950 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C/c2[nH+]ccn2CC(F)(F)F)nc1 ZINC000439537406 281238948 /nfs/dbraw/zinc/23/89/48/281238948.db2.gz YWVASUDWLMWMMN-DUXPYHPUSA-N 1 2 298.224 2.919 20 5 CFBDLO Cc1ccccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332520348 281342934 /nfs/dbraw/zinc/34/29/34/281342934.db2.gz LYAFBMOYXVXIBW-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332520348 281342935 /nfs/dbraw/zinc/34/29/35/281342935.db2.gz LYAFBMOYXVXIBW-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1[nH]c(CNCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1C ZINC000563437954 290150830 /nfs/dbraw/zinc/15/08/30/290150830.db2.gz BLYJZDZLFAQDRL-UHFFFAOYSA-N 1 2 294.742 2.878 20 5 CFBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296208735 303010879 /nfs/dbraw/zinc/01/08/79/303010879.db2.gz FXNNHGKWAUKNLP-CYBMUJFWSA-N 1 2 286.335 2.916 20 5 CFBDLO C[C@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413174405 533973815 /nfs/dbraw/zinc/97/38/15/533973815.db2.gz RZNVULKJBVNFJC-SNVBAGLBSA-N 1 2 275.308 2.573 20 5 CFBDLO CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000339970146 519799780 /nfs/dbraw/zinc/79/97/80/519799780.db2.gz OFDRMXYAFFXPHM-LLVKDONJSA-N 1 2 261.285 2.522 20 5 CFBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000354754739 520418822 /nfs/dbraw/zinc/41/88/22/520418822.db2.gz JIPGPDVUXPGYMC-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000354754739 520418831 /nfs/dbraw/zinc/41/88/31/520418831.db2.gz JIPGPDVUXPGYMC-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1cccc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000338635141 524676790 /nfs/dbraw/zinc/67/67/90/524676790.db2.gz BUBOOTZCWMKBRB-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO C[C@]12CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000339208412 525348080 /nfs/dbraw/zinc/34/80/80/525348080.db2.gz XPKIKZCXYMVTCC-OLZOCXBDSA-N 1 2 298.289 2.778 20 5 CFBDLO C[C@]12CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000339208412 525348086 /nfs/dbraw/zinc/34/80/86/525348086.db2.gz XPKIKZCXYMVTCC-OLZOCXBDSA-N 1 2 298.289 2.778 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CCOCC3)c2c1 ZINC000413107197 534884863 /nfs/dbraw/zinc/88/48/63/534884863.db2.gz PHOVTMBRBBNGKV-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CCO)CC3)c2c1 ZINC000413229817 534884936 /nfs/dbraw/zinc/88/49/36/534884936.db2.gz CSIHCDZWENUUSD-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCC[C@H]3O)c2c1 ZINC000413165687 534885345 /nfs/dbraw/zinc/88/53/45/534885345.db2.gz JAMAKYBXRSLZCN-SMDDNHRTSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCCOC3)c2c1 ZINC000413061686 534885397 /nfs/dbraw/zinc/88/53/97/534885397.db2.gz CLZUPCHOKQUTSK-NSHDSACASA-N 1 2 287.319 2.982 20 5 CFBDLO O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364721403 527400427 /nfs/dbraw/zinc/40/04/27/527400427.db2.gz HLAOJBBOPUNKMU-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO Cn1cc[nH+]c1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000071274317 527437561 /nfs/dbraw/zinc/43/75/61/527437561.db2.gz UPIRBEKEBMGSKS-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414466415 527528490 /nfs/dbraw/zinc/52/84/90/527528490.db2.gz BOVRNPPVINCNSV-BLMSOEDDSA-N 1 2 294.326 2.668 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CF)C1 ZINC000414466415 527528494 /nfs/dbraw/zinc/52/84/94/527528494.db2.gz BOVRNPPVINCNSV-BLMSOEDDSA-N 1 2 294.326 2.668 20 5 CFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080408 574347049 /nfs/dbraw/zinc/34/70/49/574347049.db2.gz AGFCOGNNDBAOJO-RISCZKNCSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080408 574347051 /nfs/dbraw/zinc/34/70/51/574347051.db2.gz AGFCOGNNDBAOJO-RISCZKNCSA-N 1 2 292.335 2.683 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000891622327 617689446 /nfs/dbraw/zinc/68/94/46/617689446.db2.gz WYLOIAVQPHVUFL-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000891622327 617689448 /nfs/dbraw/zinc/68/94/48/617689448.db2.gz WYLOIAVQPHVUFL-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397360 618219125 /nfs/dbraw/zinc/21/91/25/618219125.db2.gz CCPXPPZIANDHNF-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397360 618219129 /nfs/dbraw/zinc/21/91/29/618219129.db2.gz CCPXPPZIANDHNF-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000895085257 618277127 /nfs/dbraw/zinc/27/71/27/618277127.db2.gz GMNALVPKPQYICS-SNVBAGLBSA-N 1 2 287.323 2.624 20 5 CFBDLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccccc1[N+](=O)[O-] ZINC000895085257 618277132 /nfs/dbraw/zinc/27/71/32/618277132.db2.gz GMNALVPKPQYICS-SNVBAGLBSA-N 1 2 287.323 2.624 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000894773759 619460521 /nfs/dbraw/zinc/46/05/21/619460521.db2.gz KMCVNYTXSWEJPI-ZETCQYMHSA-N 1 2 295.730 2.526 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1c(C)cccc1[N+](=O)[O-])C2 ZINC000896661090 619782810 /nfs/dbraw/zinc/78/28/10/619782810.db2.gz YRONNCGEFBNLRM-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1COC1 ZINC000824471737 623511061 /nfs/dbraw/zinc/51/10/61/623511061.db2.gz HBXWPZPEZKHGMW-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1COC1 ZINC000824471737 623511062 /nfs/dbraw/zinc/51/10/62/623511062.db2.gz HBXWPZPEZKHGMW-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566055 623899976 /nfs/dbraw/zinc/89/99/76/623899976.db2.gz PFVPMIMIBVKSNE-OAHLLOKOSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566055 623899981 /nfs/dbraw/zinc/89/99/81/623899981.db2.gz PFVPMIMIBVKSNE-OAHLLOKOSA-N 1 2 286.335 2.894 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(F)(F)CC1 ZINC000796537086 629931777 /nfs/dbraw/zinc/93/17/77/629931777.db2.gz GPSBEGHVFDBIQA-UHFFFAOYSA-N 1 2 274.242 2.965 20 5 CFBDLO Cc1cc(NCCc2cn(C)c[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000840327969 632187536 /nfs/dbraw/zinc/18/75/36/632187536.db2.gz YNBREIUSLPZBCM-UHFFFAOYSA-N 1 2 294.742 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000859308860 636536664 /nfs/dbraw/zinc/53/66/64/636536664.db2.gz VZKWQBGCTXSBJN-UHFFFAOYSA-N 1 2 292.726 2.530 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c(C(F)F)c1 ZINC000865609939 638458542 /nfs/dbraw/zinc/45/85/42/638458542.db2.gz WLWDZIBRKLISNG-UHFFFAOYSA-N 1 2 294.261 2.790 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865927609 638660168 /nfs/dbraw/zinc/66/01/68/638660168.db2.gz DOQBNKXZHMHXHP-LLVKDONJSA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865927609 638660173 /nfs/dbraw/zinc/66/01/73/638660173.db2.gz DOQBNKXZHMHXHP-LLVKDONJSA-N 1 2 285.294 2.580 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000872050980 641584987 /nfs/dbraw/zinc/58/49/87/641584987.db2.gz GQIQTVICQGVGBU-IUCAKERBSA-N 1 2 278.287 2.869 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](CF)C2)c(F)c1 ZINC000880300607 644640922 /nfs/dbraw/zinc/64/09/22/644640922.db2.gz UQUIBGLBKPWDFY-QMMMGPOBSA-N 1 2 274.242 2.664 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](CF)C2)c(F)c1 ZINC000880300607 644640923 /nfs/dbraw/zinc/64/09/23/644640923.db2.gz UQUIBGLBKPWDFY-QMMMGPOBSA-N 1 2 274.242 2.664 20 5 CFBDLO CC(C)c1c[nH]c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000882905019 645503605 /nfs/dbraw/zinc/50/36/05/645503605.db2.gz QWQKGQXXIJHGOE-UHFFFAOYSA-N 1 2 274.324 2.731 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000932177904 649559561 /nfs/dbraw/zinc/55/95/61/649559561.db2.gz GGHXLBLZIOCKML-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO COc1ncc(Nc2cccc3[nH+]c(C)cn32)cc1[N+](=O)[O-] ZINC001210135036 770214601 /nfs/dbraw/zinc/21/46/01/770214601.db2.gz LTXGLOAQBUEJJT-UHFFFAOYSA-N 1 2 299.290 2.698 20 5 CFBDLO Nc1cc(CNc2cc([N+](=O)[O-])cc3cc[nH]c32)cc[nH+]1 ZINC001167617464 770995028 /nfs/dbraw/zinc/99/50/28/770995028.db2.gz NTGMJFNSLBOWDX-UHFFFAOYSA-N 1 2 283.291 2.665 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225940805 775642375 /nfs/dbraw/zinc/64/23/75/775642375.db2.gz ADQKAYRCKKQQMD-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CCC[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123142695 776055555 /nfs/dbraw/zinc/05/55/55/776055555.db2.gz ZORMQVIYGCKQBE-UHFFFAOYSA-N 1 2 274.324 2.661 20 5 CFBDLO CCC[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123142695 776055557 /nfs/dbraw/zinc/05/55/57/776055557.db2.gz ZORMQVIYGCKQBE-UHFFFAOYSA-N 1 2 274.324 2.661 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)ccc1Br ZINC000707002713 781220862 /nfs/dbraw/zinc/22/08/62/781220862.db2.gz RQPWHTGHVXPXDM-GXSJLCMTSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1Br ZINC000707002713 781220865 /nfs/dbraw/zinc/22/08/65/781220865.db2.gz RQPWHTGHVXPXDM-GXSJLCMTSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3C[C@H]32)c1Br ZINC000706998475 781221748 /nfs/dbraw/zinc/22/17/48/781221748.db2.gz FPPLCEOEYFMLRP-GZMMTYOYSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3C[C@H]32)c1Br ZINC000706998475 781221752 /nfs/dbraw/zinc/22/17/52/781221752.db2.gz FPPLCEOEYFMLRP-GZMMTYOYSA-N 1 2 297.152 2.952 20 5 CFBDLO Cc1conc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000708224928 781267294 /nfs/dbraw/zinc/26/72/94/781267294.db2.gz BUBYXTAGWOFTNM-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000594710114 349478400 /nfs/dbraw/zinc/47/84/00/349478400.db2.gz IKCSLIVOMGWNKV-KWBADKCTSA-N 1 2 287.323 2.543 20 5 CFBDLO Cc1noc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000595325435 349602513 /nfs/dbraw/zinc/60/25/13/349602513.db2.gz IKVSQGNPYZNCEM-JTQLQIEISA-N 1 2 287.319 2.838 20 5 CFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000595325435 349602514 /nfs/dbraw/zinc/60/25/14/349602514.db2.gz IKVSQGNPYZNCEM-JTQLQIEISA-N 1 2 287.319 2.838 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000595296503 349594788 /nfs/dbraw/zinc/59/47/88/349594788.db2.gz FDWIAPTUGNKBAZ-SECBINFHSA-N 1 2 265.269 2.677 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000595296503 349594791 /nfs/dbraw/zinc/59/47/91/349594791.db2.gz FDWIAPTUGNKBAZ-SECBINFHSA-N 1 2 265.269 2.677 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595301969 349597042 /nfs/dbraw/zinc/59/70/42/349597042.db2.gz HNRHTMVGLVKZJD-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595301969 349597044 /nfs/dbraw/zinc/59/70/44/349597044.db2.gz HNRHTMVGLVKZJD-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000595449947 349629569 /nfs/dbraw/zinc/62/95/69/349629569.db2.gz MSGVYGIAEPXRFT-GMTAPVOTSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000595449947 349629575 /nfs/dbraw/zinc/62/95/75/349629575.db2.gz MSGVYGIAEPXRFT-GMTAPVOTSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000595563620 349661354 /nfs/dbraw/zinc/66/13/54/349661354.db2.gz NWEFVNWMRBCVIC-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000595563620 349661355 /nfs/dbraw/zinc/66/13/55/349661355.db2.gz NWEFVNWMRBCVIC-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595591479 349667266 /nfs/dbraw/zinc/66/72/66/349667266.db2.gz INOWKVQBTBSQHK-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595591479 349667268 /nfs/dbraw/zinc/66/72/68/349667268.db2.gz INOWKVQBTBSQHK-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO COc1cc(N(C)Cc2c[nH+]c[nH]2)c(Cl)cc1[N+](=O)[O-] ZINC000596313160 349860787 /nfs/dbraw/zinc/86/07/87/349860787.db2.gz OOWZCZOLMQDUPY-UHFFFAOYSA-N 1 2 296.714 2.616 20 5 CFBDLO COc1cc(N(C)Cc2c[nH]c[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000596313160 349860790 /nfs/dbraw/zinc/86/07/90/349860790.db2.gz OOWZCZOLMQDUPY-UHFFFAOYSA-N 1 2 296.714 2.616 20 5 CFBDLO CCOc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596543327 349936337 /nfs/dbraw/zinc/93/63/37/349936337.db2.gz RPIBIAXEAHOEDS-SNVBAGLBSA-N 1 2 290.323 2.900 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCCc1cn2ccccc2[nH+]1 ZINC000022874937 346251023 /nfs/dbraw/zinc/25/10/23/346251023.db2.gz WAZCKOTWLGXLIH-UHFFFAOYSA-N 1 2 282.303 2.897 20 5 CFBDLO Cc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000040443860 346346292 /nfs/dbraw/zinc/34/62/92/346346292.db2.gz PZMJOZCULFCHGH-UHFFFAOYSA-N 1 2 277.349 2.958 20 5 CFBDLO Cc1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000045108328 346403517 /nfs/dbraw/zinc/40/35/17/346403517.db2.gz DTNYKWRCWKEHKX-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2[nH+]1 ZINC000054535767 346572207 /nfs/dbraw/zinc/57/22/07/346572207.db2.gz MEMUWVUTLQLCMV-UHFFFAOYSA-N 1 2 286.247 2.625 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])s1 ZINC000064029514 346714479 /nfs/dbraw/zinc/71/44/79/346714479.db2.gz YZQBIVNLZFICIJ-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000066372233 346756329 /nfs/dbraw/zinc/75/63/29/346756329.db2.gz HAYUOUXWTYGBCM-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000080531013 347364224 /nfs/dbraw/zinc/36/42/24/347364224.db2.gz PUFPYKYWUFKCAT-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO C[C@H]1SCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000093499507 347677609 /nfs/dbraw/zinc/67/76/09/347677609.db2.gz VOBPWDIHBRBTTM-NXEZZACHSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@H]1SCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000093499507 347677613 /nfs/dbraw/zinc/67/76/13/347677613.db2.gz VOBPWDIHBRBTTM-NXEZZACHSA-N 1 2 282.365 2.626 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000125811991 347829775 /nfs/dbraw/zinc/82/97/75/347829775.db2.gz KCBWIQQWUHGUBL-JTQLQIEISA-N 1 2 260.297 2.810 20 5 CFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC000280463046 348341148 /nfs/dbraw/zinc/34/11/48/348341148.db2.gz MGPHZTLDBWDJIY-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCCOC3)c2c1 ZINC000413123900 233020927 /nfs/dbraw/zinc/02/09/27/233020927.db2.gz DLXATYSMQUIIAZ-NSHDSACASA-N 1 2 273.292 2.734 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000590169312 348882191 /nfs/dbraw/zinc/88/21/91/348882191.db2.gz NGSUQSIJUYMEQZ-SECBINFHSA-N 1 2 290.241 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000590169312 348882198 /nfs/dbraw/zinc/88/21/98/348882198.db2.gz NGSUQSIJUYMEQZ-SECBINFHSA-N 1 2 290.241 2.685 20 5 CFBDLO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723725 348937351 /nfs/dbraw/zinc/93/73/51/348937351.db2.gz NPQBSXOCWHEZLB-YUMQZZPRSA-N 1 2 264.310 2.971 20 5 CFBDLO CC(=O)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000590568098 348909470 /nfs/dbraw/zinc/90/94/70/348909470.db2.gz PBXVGQNHALRDNL-MRVPVSSYSA-N 1 2 274.280 2.694 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCn2c[nH+]cc2C1 ZINC000590599021 348912996 /nfs/dbraw/zinc/91/29/96/348912996.db2.gz DEBNHCZCDNFYNE-GFCCVEGCSA-N 1 2 286.335 2.677 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC(F)C3)C2)c(F)c1 ZINC000590969353 348974439 /nfs/dbraw/zinc/97/44/39/348974439.db2.gz ZIUGKHOKPBZPGN-UHFFFAOYSA-N 1 2 268.263 2.668 20 5 CFBDLO Cc1ccc(C[NH+]2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC000590968779 348974932 /nfs/dbraw/zinc/97/49/32/348974932.db2.gz KMQMCCLTVMIIGG-UHFFFAOYSA-N 1 2 256.252 2.600 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000590972123 348975702 /nfs/dbraw/zinc/97/57/02/348975702.db2.gz CRFAMZLCDQOLJQ-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000590972123 348975703 /nfs/dbraw/zinc/97/57/03/348975703.db2.gz CRFAMZLCDQOLJQ-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058518 349196918 /nfs/dbraw/zinc/19/69/18/349196918.db2.gz NJLWUDQPTMGTRE-GXTWGEPZSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058518 349196921 /nfs/dbraw/zinc/19/69/21/349196921.db2.gz NJLWUDQPTMGTRE-GXTWGEPZSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593061734 349198402 /nfs/dbraw/zinc/19/84/02/349198402.db2.gz DHCLDVXYGCZNGW-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593061734 349198406 /nfs/dbraw/zinc/19/84/06/349198406.db2.gz DHCLDVXYGCZNGW-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179183 350045703 /nfs/dbraw/zinc/04/57/03/350045703.db2.gz HJEULIFOTBXQAV-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179183 350045705 /nfs/dbraw/zinc/04/57/05/350045705.db2.gz HJEULIFOTBXQAV-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039929 350363390 /nfs/dbraw/zinc/36/33/90/350363390.db2.gz CBBHVGYUBJKEDO-JTQLQIEISA-N 1 2 257.293 2.989 20 5 CFBDLO C[C@H](O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599079809 350371942 /nfs/dbraw/zinc/37/19/42/350371942.db2.gz PJQDMJDIULOFHA-JTQLQIEISA-N 1 2 275.308 2.716 20 5 CFBDLO O=[N+]([O-])c1c(N[C@@H]2C[C@H](O)C23CCC3)ccc2c[nH+]ccc21 ZINC000599105920 350376323 /nfs/dbraw/zinc/37/63/23/350376323.db2.gz GNGHJXZBYAUIQZ-KGLIPLIRSA-N 1 2 299.330 2.858 20 5 CFBDLO CC(C)c1[nH+]cc(-c2cc([N+](=O)[O-])ccc2CO)n1C ZINC000600845044 350619473 /nfs/dbraw/zinc/61/94/73/350619473.db2.gz GNWHDMAXELHNFK-UHFFFAOYSA-N 1 2 275.308 2.611 20 5 CFBDLO Cc1c[nH+]c(CCNc2ncc(F)cc2[N+](=O)[O-])c(C)c1 ZINC000601186791 350691610 /nfs/dbraw/zinc/69/16/10/350691610.db2.gz BBKQUZYWEPFDOC-UHFFFAOYSA-N 1 2 290.298 2.795 20 5 CFBDLO O=[N+]([O-])c1c(NCC[C@@H](O)C(F)F)ccc2c[nH+]ccc21 ZINC000601222748 350701748 /nfs/dbraw/zinc/70/17/48/350701748.db2.gz OYMCSEFDUPRFFX-LLVKDONJSA-N 1 2 297.261 2.571 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275947 186387189 /nfs/dbraw/zinc/38/71/89/186387189.db2.gz CANRWYCPSZRTLW-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275947 186387191 /nfs/dbraw/zinc/38/71/91/186387191.db2.gz CANRWYCPSZRTLW-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC4(CC4(F)F)C3)nc2c1 ZINC000602704295 350989373 /nfs/dbraw/zinc/98/93/73/350989373.db2.gz FZCJAVUMYKIJMW-UHFFFAOYSA-N 1 2 295.245 2.577 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000604453301 351213156 /nfs/dbraw/zinc/21/31/56/351213156.db2.gz ARKQVBPLBPASLK-UHFFFAOYSA-N 1 2 288.307 2.519 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCCCCNc1cccc[nH+]1 ZINC000608885562 351480981 /nfs/dbraw/zinc/48/09/81/351480981.db2.gz YWJBXGXPYOLYPZ-UHFFFAOYSA-N 1 2 287.323 2.689 20 5 CFBDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610276209 351547019 /nfs/dbraw/zinc/54/70/19/351547019.db2.gz CZKYUZSLHWMKNZ-CQSZACIVSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000611268530 351661220 /nfs/dbraw/zinc/66/12/20/351661220.db2.gz DSALKMJUDREARE-ZDUSSCGKSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000611268530 351661223 /nfs/dbraw/zinc/66/12/23/351661223.db2.gz DSALKMJUDREARE-ZDUSSCGKSA-N 1 2 262.309 2.675 20 5 CFBDLO CC(C)([NH2+]Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000611402674 351683645 /nfs/dbraw/zinc/68/36/45/351683645.db2.gz NDQHQINKNQQDFL-UHFFFAOYSA-N 1 2 261.281 2.608 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1F ZINC000611502407 351698871 /nfs/dbraw/zinc/69/88/71/351698871.db2.gz RZTWXVRLWZJELG-KOLCDFICSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1F ZINC000611502407 351698874 /nfs/dbraw/zinc/69/88/74/351698874.db2.gz RZTWXVRLWZJELG-KOLCDFICSA-N 1 2 293.298 2.916 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611502422 351699261 /nfs/dbraw/zinc/69/92/61/351699261.db2.gz SDMJIRCLNJTFBT-CMPLNLGQSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611502422 351699264 /nfs/dbraw/zinc/69/92/64/351699264.db2.gz SDMJIRCLNJTFBT-CMPLNLGQSA-N 1 2 282.315 2.783 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(Cl)c1 ZINC000611815589 351743418 /nfs/dbraw/zinc/74/34/18/351743418.db2.gz QJHJVWFOQUVUCI-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CC3)C2)c(Cl)c1 ZINC000611815589 351743422 /nfs/dbraw/zinc/74/34/22/351743422.db2.gz QJHJVWFOQUVUCI-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)nc1 ZINC000616152122 352291879 /nfs/dbraw/zinc/29/18/79/352291879.db2.gz TZCANVHZQAZCEU-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)nc1 ZINC000616152122 352291883 /nfs/dbraw/zinc/29/18/83/352291883.db2.gz TZCANVHZQAZCEU-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO CCn1cc[nH+]c1CNc1c(C)cccc1[N+](=O)[O-] ZINC000294920522 199249567 /nfs/dbraw/zinc/24/95/67/199249567.db2.gz GPPQSNTWIPVXDR-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000294947248 199264367 /nfs/dbraw/zinc/26/43/67/199264367.db2.gz AMCPQRLMTSBGKC-VIFPVBQESA-N 1 2 288.307 2.706 20 5 CFBDLO COC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000177572882 189058098 /nfs/dbraw/zinc/05/80/98/189058098.db2.gz KJWYMRURAMOEAV-JTQLQIEISA-N 1 2 282.321 2.727 20 5 CFBDLO Cc1cc(NCc2[nH+]ccn2CC(C)C)ncc1[N+](=O)[O-] ZINC000301462096 201018314 /nfs/dbraw/zinc/01/83/14/201018314.db2.gz ZKQVKMMUUQVGMT-UHFFFAOYSA-N 1 2 289.339 2.763 20 5 CFBDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181807083 189307126 /nfs/dbraw/zinc/30/71/26/189307126.db2.gz NCFDJPRVJYHJEJ-SNVBAGLBSA-N 1 2 290.323 2.699 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183251502 189352150 /nfs/dbraw/zinc/35/21/50/189352150.db2.gz UVRSPPIUGFZLQO-CQSZACIVSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183251502 189352151 /nfs/dbraw/zinc/35/21/51/189352151.db2.gz UVRSPPIUGFZLQO-CQSZACIVSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1nc(NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000301673948 201129613 /nfs/dbraw/zinc/12/96/13/201129613.db2.gz ROIMEXVYNRKUCB-UHFFFAOYSA-N 1 2 289.339 2.763 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301647709 201113555 /nfs/dbraw/zinc/11/35/55/201113555.db2.gz QIDXSBFUTXBIBB-CYBMUJFWSA-N 1 2 285.303 2.648 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000183279606 189353411 /nfs/dbraw/zinc/35/34/11/189353411.db2.gz YETRDXHPODUUOH-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000183279606 189353412 /nfs/dbraw/zinc/35/34/12/189353412.db2.gz YETRDXHPODUUOH-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1cc(NCc2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301981961 201287057 /nfs/dbraw/zinc/28/70/57/201287057.db2.gz BEBXKRCDFLZIQI-UHFFFAOYSA-N 1 2 297.318 2.797 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCNc1cccc[nH+]1 ZINC000434946943 240279496 /nfs/dbraw/zinc/27/94/96/240279496.db2.gz MYRVVORZTDTVTJ-UHFFFAOYSA-N 1 2 293.714 2.562 20 5 CFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1O ZINC000275523658 193066779 /nfs/dbraw/zinc/06/67/79/193066779.db2.gz VWUXAHUDXPOVIP-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@@H]1O ZINC000275523658 193066781 /nfs/dbraw/zinc/06/67/81/193066781.db2.gz VWUXAHUDXPOVIP-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000446058790 241266562 /nfs/dbraw/zinc/26/65/62/241266562.db2.gz GOHDQNQNUHWEJV-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000446058790 241266565 /nfs/dbraw/zinc/26/65/65/241266565.db2.gz GOHDQNQNUHWEJV-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc(C3CC3)o2)cs1 ZINC000449701027 242114025 /nfs/dbraw/zinc/11/40/25/242114025.db2.gz VLTOCANQBDHITK-UHFFFAOYSA-N 1 2 279.321 2.812 20 5 CFBDLO COCC1(C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330458456 202850723 /nfs/dbraw/zinc/85/07/23/202850723.db2.gz ROSLYIFKBAWLEZ-UHFFFAOYSA-N 1 2 294.351 2.549 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330502279 202896265 /nfs/dbraw/zinc/89/62/65/202896265.db2.gz BHJLTEUPHFGXBJ-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330502279 202896267 /nfs/dbraw/zinc/89/62/67/202896267.db2.gz BHJLTEUPHFGXBJ-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459669604 245267187 /nfs/dbraw/zinc/26/71/87/245267187.db2.gz DPWUEKHBCXCASZ-ZDUSSCGKSA-N 1 2 294.351 2.691 20 5 CFBDLO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459669604 245267189 /nfs/dbraw/zinc/26/71/89/245267189.db2.gz DPWUEKHBCXCASZ-ZDUSSCGKSA-N 1 2 294.351 2.691 20 5 CFBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000029587035 372382774 /nfs/dbraw/zinc/38/27/74/372382774.db2.gz KBEAQOYPKFXVFG-UHFFFAOYSA-N 1 2 276.271 2.939 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000030587475 372394447 /nfs/dbraw/zinc/39/44/47/372394447.db2.gz SEMYXPKEIMFORO-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072874833 374297243 /nfs/dbraw/zinc/29/72/43/374297243.db2.gz CLFXWHWTIXMQOF-VIFPVBQESA-N 1 2 297.742 2.671 20 5 CFBDLO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072874833 374297252 /nfs/dbraw/zinc/29/72/52/374297252.db2.gz CLFXWHWTIXMQOF-VIFPVBQESA-N 1 2 297.742 2.671 20 5 CFBDLO CCOc1cc(C[NH2+][C@H](C)c2ccon2)ccc1[N+](=O)[O-] ZINC000492816513 246395554 /nfs/dbraw/zinc/39/55/54/246395554.db2.gz IFAPIQSHOOLOFP-SNVBAGLBSA-N 1 2 291.307 2.832 20 5 CFBDLO CCC[N@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775818 375380020 /nfs/dbraw/zinc/38/00/20/375380020.db2.gz PLGGBWWSAUTCEX-UHFFFAOYSA-N 1 2 298.314 2.509 20 5 CFBDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775818 375380024 /nfs/dbraw/zinc/38/00/24/375380024.db2.gz PLGGBWWSAUTCEX-UHFFFAOYSA-N 1 2 298.314 2.509 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634526 247146523 /nfs/dbraw/zinc/14/65/23/247146523.db2.gz HWFAUGJONAIITG-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634526 247146526 /nfs/dbraw/zinc/14/65/26/247146526.db2.gz HWFAUGJONAIITG-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000120825709 376700814 /nfs/dbraw/zinc/70/08/14/376700814.db2.gz KNULMRULQXPFPS-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000265476981 190185070 /nfs/dbraw/zinc/18/50/70/190185070.db2.gz BGXJIOGYKMUMBV-VIFPVBQESA-N 1 2 295.730 2.588 20 5 CFBDLO CCOc1cccc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134912271 378061703 /nfs/dbraw/zinc/06/17/03/378061703.db2.gz ZHCHIQHOPNLCTE-LLVKDONJSA-N 1 2 290.323 2.691 20 5 CFBDLO CC[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139787520 378236170 /nfs/dbraw/zinc/23/61/70/378236170.db2.gz KZJSCUKAPXJGQC-QMMMGPOBSA-N 1 2 281.703 2.930 20 5 CFBDLO CC[C@@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000139773731 378237515 /nfs/dbraw/zinc/23/75/15/378237515.db2.gz WSPKQTAKHOMSCY-SECBINFHSA-N 1 2 261.285 2.585 20 5 CFBDLO CC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140492423 378237945 /nfs/dbraw/zinc/23/79/45/378237945.db2.gz BRLBCDCPHIMJDV-GFCCVEGCSA-N 1 2 288.307 2.507 20 5 CFBDLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330558834 378583833 /nfs/dbraw/zinc/58/38/33/378583833.db2.gz AJROTDPBQFMUNI-PHIMTYICSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330558834 378583837 /nfs/dbraw/zinc/58/38/37/378583837.db2.gz AJROTDPBQFMUNI-PHIMTYICSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330414513 378548792 /nfs/dbraw/zinc/54/87/92/378548792.db2.gz TXMJBTFUQSXKSL-SKDRFNHKSA-N 1 2 250.298 2.579 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452141 378559403 /nfs/dbraw/zinc/55/94/03/378559403.db2.gz KIYAVLXGEOAEEM-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452141 378559409 /nfs/dbraw/zinc/55/94/09/378559409.db2.gz KIYAVLXGEOAEEM-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330502278 378571774 /nfs/dbraw/zinc/57/17/74/378571774.db2.gz BHJLTEUPHFGXBJ-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000330502278 378571779 /nfs/dbraw/zinc/57/17/79/378571779.db2.gz BHJLTEUPHFGXBJ-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000171634817 379361992 /nfs/dbraw/zinc/36/19/92/379361992.db2.gz NIOGAZGBBQZFRK-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000171634817 379361999 /nfs/dbraw/zinc/36/19/99/379361999.db2.gz NIOGAZGBBQZFRK-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000266994268 190295530 /nfs/dbraw/zinc/29/55/30/190295530.db2.gz WKHRSJZJUWRQHU-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2nccn21 ZINC000179694393 380572540 /nfs/dbraw/zinc/57/25/40/380572540.db2.gz IVKDQRSIFIBTLT-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2nccn21 ZINC000179694393 380572543 /nfs/dbraw/zinc/57/25/43/380572543.db2.gz IVKDQRSIFIBTLT-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO CO[C@](C)([C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000411972853 381079392 /nfs/dbraw/zinc/07/93/92/381079392.db2.gz QSKDMKQBDYDTLM-ZUZCIYMTSA-N 1 2 294.351 2.594 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000347339304 381079820 /nfs/dbraw/zinc/07/98/20/381079820.db2.gz CBFJIYVAQSHQNT-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000347339304 381079828 /nfs/dbraw/zinc/07/98/28/381079828.db2.gz CBFJIYVAQSHQNT-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000289853394 381189412 /nfs/dbraw/zinc/18/94/12/381189412.db2.gz KUHIAOUCYBOBTI-GFCCVEGCSA-N 1 2 292.364 2.608 20 5 CFBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000289853394 381189418 /nfs/dbraw/zinc/18/94/18/381189418.db2.gz KUHIAOUCYBOBTI-GFCCVEGCSA-N 1 2 292.364 2.608 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296057499 381235832 /nfs/dbraw/zinc/23/58/32/381235832.db2.gz PBPROSVAEILQFQ-CYBMUJFWSA-N 1 2 252.289 2.919 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296057499 381235834 /nfs/dbraw/zinc/23/58/34/381235834.db2.gz PBPROSVAEILQFQ-CYBMUJFWSA-N 1 2 252.289 2.919 20 5 CFBDLO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000342270857 381239322 /nfs/dbraw/zinc/23/93/22/381239322.db2.gz WYQOEPKIXHIYSS-GFCCVEGCSA-N 1 2 292.364 2.996 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183293031 381250866 /nfs/dbraw/zinc/25/08/66/381250866.db2.gz BTSXCWPOHDHAIB-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183293031 381250873 /nfs/dbraw/zinc/25/08/73/381250873.db2.gz BTSXCWPOHDHAIB-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cocn2)c(Cl)c1 ZINC000183739365 381313227 /nfs/dbraw/zinc/31/32/27/381313227.db2.gz VTMYIHLFUSZYGP-UHFFFAOYSA-N 1 2 267.672 2.526 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359341444 381361798 /nfs/dbraw/zinc/36/17/98/381361798.db2.gz CUDVXHOCHZOAFT-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000354704020 381411420 /nfs/dbraw/zinc/41/14/20/381411420.db2.gz KCHIDYZHKXBLJO-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000354704020 381411424 /nfs/dbraw/zinc/41/14/24/381411424.db2.gz KCHIDYZHKXBLJO-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413035905 381533920 /nfs/dbraw/zinc/53/39/20/381533920.db2.gz DAXHKTAEQBWACB-ZDUSSCGKSA-N 1 2 287.319 2.758 20 5 CFBDLO CNc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2F)c[nH+]1 ZINC000359882051 381655904 /nfs/dbraw/zinc/65/59/04/381655904.db2.gz SCBSWFNZSFPTEC-UHFFFAOYSA-N 1 2 276.271 2.645 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355315251 381746840 /nfs/dbraw/zinc/74/68/40/381746840.db2.gz PDTFPJGWMQQTFH-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccon1 ZINC000349231841 381855585 /nfs/dbraw/zinc/85/55/85/381855585.db2.gz ATVBAHNNHAZWLJ-QMMMGPOBSA-N 1 2 265.244 2.573 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349237089 381856909 /nfs/dbraw/zinc/85/69/09/381856909.db2.gz IDXATWAEKJGERJ-VHSXEESVSA-N 1 2 261.281 2.995 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000372954517 381896554 /nfs/dbraw/zinc/89/65/54/381896554.db2.gz WIWYIGDSONQPMN-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000372954517 381896564 /nfs/dbraw/zinc/89/65/64/381896564.db2.gz WIWYIGDSONQPMN-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO COc1cc[nH+]cc1CSc1ncccc1[N+](=O)[O-] ZINC000343830007 381970091 /nfs/dbraw/zinc/97/00/91/381970091.db2.gz JFKAHGDCSULKNX-UHFFFAOYSA-N 1 2 277.305 2.686 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000301258515 382127026 /nfs/dbraw/zinc/12/70/26/382127026.db2.gz RKRRSQWIXYQMGJ-UHFFFAOYSA-N 1 2 270.292 2.874 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccsc1 ZINC000352031938 382142776 /nfs/dbraw/zinc/14/27/76/382142776.db2.gz IGNFGWSYNFHESA-GFCCVEGCSA-N 1 2 296.323 2.619 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378366081 382447871 /nfs/dbraw/zinc/44/78/71/382447871.db2.gz AERFITHMQDQKKB-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378366081 382447874 /nfs/dbraw/zinc/44/78/74/382447874.db2.gz AERFITHMQDQKKB-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO Cc1cc(NCc2ccc(N)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000308392384 382475313 /nfs/dbraw/zinc/47/53/13/382475313.db2.gz OEDQDQUTHNIKPP-UHFFFAOYSA-N 1 2 276.271 2.632 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000346707167 382486041 /nfs/dbraw/zinc/48/60/41/382486041.db2.gz QIDRYTYNTHCSPH-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000358259837 382532525 /nfs/dbraw/zinc/53/25/25/382532525.db2.gz FTTSYFRQNKPMIH-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO C=Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000193701631 382722916 /nfs/dbraw/zinc/72/29/16/382722916.db2.gz UROJMRMOQJCUJW-UHFFFAOYSA-N 1 2 272.308 2.524 20 5 CFBDLO C=Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000193701631 382722918 /nfs/dbraw/zinc/72/29/18/382722918.db2.gz UROJMRMOQJCUJW-UHFFFAOYSA-N 1 2 272.308 2.524 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000494810683 382931104 /nfs/dbraw/zinc/93/11/04/382931104.db2.gz MTESSDWSOJLFQW-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCOCC2(CC2)C1 ZINC000494810683 382931110 /nfs/dbraw/zinc/93/11/10/382931110.db2.gz MTESSDWSOJLFQW-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000338992802 383110322 /nfs/dbraw/zinc/11/03/22/383110322.db2.gz OLPCDCFDCGVSAE-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000339131845 383160534 /nfs/dbraw/zinc/16/05/34/383160534.db2.gz GERHUVXZSIAIGV-GFCCVEGCSA-N 1 2 250.298 2.531 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000339131845 383160535 /nfs/dbraw/zinc/16/05/35/383160535.db2.gz GERHUVXZSIAIGV-GFCCVEGCSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCC2)O1 ZINC000567810791 383318980 /nfs/dbraw/zinc/31/89/80/383318980.db2.gz HQSKJTNZDNJQFN-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCC2)O1 ZINC000567810791 383318981 /nfs/dbraw/zinc/31/89/81/383318981.db2.gz HQSKJTNZDNJQFN-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568347724 383392598 /nfs/dbraw/zinc/39/25/98/383392598.db2.gz QTULKUGYUHDYPY-NSHDSACASA-N 1 2 299.330 2.716 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000252442815 383408394 /nfs/dbraw/zinc/40/83/94/383408394.db2.gz DRNOYAMJLZZISV-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000252442815 383408396 /nfs/dbraw/zinc/40/83/96/383408396.db2.gz DRNOYAMJLZZISV-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255404881 383480762 /nfs/dbraw/zinc/48/07/62/383480762.db2.gz AXKZHAMCCAEZPK-VSKVDJIOSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255404881 383480766 /nfs/dbraw/zinc/48/07/66/383480766.db2.gz AXKZHAMCCAEZPK-VSKVDJIOSA-N 1 2 276.336 2.719 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830223 383509785 /nfs/dbraw/zinc/50/97/85/383509785.db2.gz NNKNTTLIEIUOGE-IONNQARKSA-N 1 2 293.714 2.958 20 5 CFBDLO COc1cc[nH+]cc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000431424348 383670146 /nfs/dbraw/zinc/67/01/46/383670146.db2.gz WITXKAVCDKMCRZ-UHFFFAOYSA-N 1 2 295.245 2.889 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438354533 383990382 /nfs/dbraw/zinc/99/03/82/383990382.db2.gz GJVAFKOTOAOXIE-GRYCIOLGSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438354533 383990390 /nfs/dbraw/zinc/99/03/90/383990390.db2.gz GJVAFKOTOAOXIE-GRYCIOLGSA-N 1 2 264.325 2.593 20 5 CFBDLO Cc1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000266957010 384270333 /nfs/dbraw/zinc/27/03/33/384270333.db2.gz GWBNHAQLPXTDGT-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000450423766 285149207 /nfs/dbraw/zinc/14/92/07/285149207.db2.gz JKUYVCWLXRWLRO-LBPRGKRZSA-N 1 2 298.306 2.536 20 5 CFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc[nH+]c(C2CC2)n1 ZINC000282286386 385272681 /nfs/dbraw/zinc/27/26/81/385272681.db2.gz QAYPTJMSRVEEER-UHFFFAOYSA-N 1 2 298.346 2.941 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283019061 385424482 /nfs/dbraw/zinc/42/44/82/385424482.db2.gz HRNSHRACQAFBJZ-MNOVXSKESA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283019061 385424484 /nfs/dbraw/zinc/42/44/84/385424484.db2.gz HRNSHRACQAFBJZ-MNOVXSKESA-N 1 2 262.309 2.567 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268272 385451065 /nfs/dbraw/zinc/45/10/65/385451065.db2.gz WMCITOCQFIPKOO-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268272 385451068 /nfs/dbraw/zinc/45/10/68/385451068.db2.gz WMCITOCQFIPKOO-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000283270431 385452410 /nfs/dbraw/zinc/45/24/10/385452410.db2.gz WPIZHLDFGBVAPP-LBPRGKRZSA-N 1 2 282.315 2.735 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000283270431 385452413 /nfs/dbraw/zinc/45/24/13/385452413.db2.gz WPIZHLDFGBVAPP-LBPRGKRZSA-N 1 2 282.315 2.735 20 5 CFBDLO COCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000274984410 385906894 /nfs/dbraw/zinc/90/68/94/385906894.db2.gz MTTYTWDYZJIWNC-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO COCC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000274984410 385906900 /nfs/dbraw/zinc/90/69/00/385906900.db2.gz MTTYTWDYZJIWNC-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276928226 386081822 /nfs/dbraw/zinc/08/18/22/386081822.db2.gz QJTVBDOLFHBFJY-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276928226 386081830 /nfs/dbraw/zinc/08/18/30/386081830.db2.gz QJTVBDOLFHBFJY-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CO[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413262048 533341122 /nfs/dbraw/zinc/34/11/22/533341122.db2.gz UCNYFZFJFDXTSA-VIFPVBQESA-N 1 2 261.281 2.590 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000342254390 130376455 /nfs/dbraw/zinc/37/64/55/130376455.db2.gz WUMJRNBPUVGPIQ-UHFFFAOYSA-N 1 2 294.261 2.612 20 5 CFBDLO Cc1cccc(N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000235156665 130947621 /nfs/dbraw/zinc/94/76/21/130947621.db2.gz SHOSNXWUKRXWFQ-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO CN(Cc1cn2ccccc2[nH+]1)Cc1ccccc1[N+](=O)[O-] ZINC000193665431 393660746 /nfs/dbraw/zinc/66/07/46/393660746.db2.gz KIRBOXXJMWTQNA-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@H+](Cc1cn2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000193665431 393660751 /nfs/dbraw/zinc/66/07/51/393660751.db2.gz KIRBOXXJMWTQNA-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000193665431 393660753 /nfs/dbraw/zinc/66/07/53/393660753.db2.gz KIRBOXXJMWTQNA-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087322193 393758818 /nfs/dbraw/zinc/75/88/18/393758818.db2.gz XXUVOBCTMUNMDM-UHFFFAOYSA-N 1 2 285.303 2.870 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccco1 ZINC000430215203 393969018 /nfs/dbraw/zinc/96/90/18/393969018.db2.gz CDCSXDSYXMZONZ-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccco1 ZINC000430215203 393969021 /nfs/dbraw/zinc/96/90/21/393969021.db2.gz CDCSXDSYXMZONZ-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCn2c[nH+]cc2C1 ZINC000290792248 394234301 /nfs/dbraw/zinc/23/43/01/394234301.db2.gz XRAMYPUHRZOSID-UHFFFAOYSA-N 1 2 292.726 2.773 20 5 CFBDLO Cc1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507167191 394367565 /nfs/dbraw/zinc/36/75/65/394367565.db2.gz JPLBXMMIXQEAEK-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507167191 394367566 /nfs/dbraw/zinc/36/75/66/394367566.db2.gz JPLBXMMIXQEAEK-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cc(N[C@@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000343254301 154156650 /nfs/dbraw/zinc/15/66/50/154156650.db2.gz UDSLQCFUCVWGTH-CYBMUJFWSA-N 1 2 287.323 2.595 20 5 CFBDLO Cn1cc[nH+]c1[C@H](Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343271782 154163475 /nfs/dbraw/zinc/16/34/75/154163475.db2.gz CJNQTWRMXBATOA-CYBMUJFWSA-N 1 2 272.308 2.892 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367078064 156279197 /nfs/dbraw/zinc/27/91/97/156279197.db2.gz ARSLASFPGZHUBS-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367078064 156279201 /nfs/dbraw/zinc/27/92/01/156279201.db2.gz ARSLASFPGZHUBS-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367722395 156380833 /nfs/dbraw/zinc/38/08/33/156380833.db2.gz LKWIVIPVVVLOAE-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367722395 156380837 /nfs/dbraw/zinc/38/08/37/156380837.db2.gz LKWIVIPVVVLOAE-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3cccc(F)c32)c1 ZINC000374676951 157147962 /nfs/dbraw/zinc/14/79/62/157147962.db2.gz IAZLELSRHMGHNC-ZDUSSCGKSA-N 1 2 288.278 2.957 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375355615 157233227 /nfs/dbraw/zinc/23/32/27/157233227.db2.gz KMUNEXJUGCMNAZ-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375355615 157233228 /nfs/dbraw/zinc/23/32/28/157233228.db2.gz KMUNEXJUGCMNAZ-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO CC1(C)C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000407993974 157375013 /nfs/dbraw/zinc/37/50/13/157375013.db2.gz XEXMHZWOVVDCRZ-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cs1 ZINC000344383655 162028855 /nfs/dbraw/zinc/02/88/55/162028855.db2.gz PJBCJVIVUXEJAN-LBPRGKRZSA-N 1 2 296.323 2.619 20 5 CFBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000344423516 162039244 /nfs/dbraw/zinc/03/92/44/162039244.db2.gz SBIGEQMQBNIMIY-UHFFFAOYSA-N 1 2 287.323 2.975 20 5 CFBDLO Cc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000351600155 163154195 /nfs/dbraw/zinc/15/41/95/163154195.db2.gz ZDEXWTDKGSDIIC-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1cccc(-c2cnn(CCCn3cc[nH+]c3)c2)c1 ZINC000351713740 163180322 /nfs/dbraw/zinc/18/03/22/163180322.db2.gz WDXLCTJDMIBNSP-UHFFFAOYSA-N 1 2 297.318 2.745 20 5 CFBDLO Cc1cn[nH]c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352868337 163257357 /nfs/dbraw/zinc/25/73/57/163257357.db2.gz DIOQZNBTTRWPKW-UHFFFAOYSA-N 1 2 280.715 2.570 20 5 CFBDLO Cc1c[nH]nc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352868337 163257359 /nfs/dbraw/zinc/25/73/59/163257359.db2.gz DIOQZNBTTRWPKW-UHFFFAOYSA-N 1 2 280.715 2.570 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349232409 287052036 /nfs/dbraw/zinc/05/20/36/287052036.db2.gz BWQZWHGIGMCLAR-VHSXEESVSA-N 1 2 261.281 2.995 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NC(C)(C)C ZINC000487536088 287152097 /nfs/dbraw/zinc/15/20/97/287152097.db2.gz JZVBHJANIWJRCA-NSHDSACASA-N 1 2 293.367 2.502 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NC(C)(C)C ZINC000487536088 287152098 /nfs/dbraw/zinc/15/20/98/287152098.db2.gz JZVBHJANIWJRCA-NSHDSACASA-N 1 2 293.367 2.502 20 5 CFBDLO CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285605200 196342281 /nfs/dbraw/zinc/34/22/81/196342281.db2.gz LYBIAOAWZCZRCW-SNVBAGLBSA-N 1 2 261.285 2.522 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000044985311 175284111 /nfs/dbraw/zinc/28/41/11/175284111.db2.gz KBGIURODTCQOKZ-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)on1 ZINC000044986390 175284552 /nfs/dbraw/zinc/28/45/52/175284552.db2.gz DFBHXUBCSXUHHR-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO Cn1c[nH+]cc1Cc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000350623529 227044432 /nfs/dbraw/zinc/04/44/32/227044432.db2.gz QAAXDFNDMQJDOE-UHFFFAOYSA-N 1 2 290.326 2.813 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn[nH]1 ZINC000526046462 260174790 /nfs/dbraw/zinc/17/47/90/260174790.db2.gz BNCCWGJAFJHUCL-XFFZJAGNSA-N 1 2 272.308 2.511 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000392374630 270306549 /nfs/dbraw/zinc/30/65/49/270306549.db2.gz HYRMNTAVHLQGGL-NXEZZACHSA-N 1 2 289.339 2.742 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000459781067 277627242 /nfs/dbraw/zinc/62/72/42/277627242.db2.gz GZLLUJVNHDSPIY-MNOVXSKESA-N 1 2 274.324 2.740 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000398407740 281206468 /nfs/dbraw/zinc/20/64/68/281206468.db2.gz KPAUGRBRYLWWKS-DTWKUNHWSA-N 1 2 278.337 2.858 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000535748548 281507424 /nfs/dbraw/zinc/50/74/24/281507424.db2.gz ZCTALSUPVCXEFG-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000540379342 281584857 /nfs/dbraw/zinc/58/48/57/281584857.db2.gz NMXJCSRZPOZYRF-VIFPVBQESA-N 1 2 288.307 2.706 20 5 CFBDLO COc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000169028646 322389786 /nfs/dbraw/zinc/38/97/86/322389786.db2.gz BLGAFRMQEQEEED-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000583761020 325309536 /nfs/dbraw/zinc/30/95/36/325309536.db2.gz DCWCNFKNBDEOJS-CYBMUJFWSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000583761020 325309537 /nfs/dbraw/zinc/30/95/37/325309537.db2.gz DCWCNFKNBDEOJS-CYBMUJFWSA-N 1 2 299.330 2.685 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414476662 533939337 /nfs/dbraw/zinc/93/93/37/533939337.db2.gz XZFKILGHAXMYEQ-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414476662 533939343 /nfs/dbraw/zinc/93/93/43/533939343.db2.gz XZFKILGHAXMYEQ-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO CN(C)c1ccc(NCc2csc([N+](=O)[O-])c2)[nH+]c1 ZINC000150904339 522237107 /nfs/dbraw/zinc/23/71/07/522237107.db2.gz KOLJSVKDAAUZNM-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000315381215 524793969 /nfs/dbraw/zinc/79/39/69/524793969.db2.gz SKVGZYOLIXOTTH-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000315291704 524964867 /nfs/dbraw/zinc/96/48/67/524964867.db2.gz HPAVXJAODPPAMD-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(O)CCCC3)c2c1 ZINC000413074909 534885113 /nfs/dbraw/zinc/88/51/13/534885113.db2.gz QQNIBWVOKPBSNR-UHFFFAOYSA-N 1 2 287.319 2.860 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](CO)C3CC3)c2c1 ZINC000413311765 534885254 /nfs/dbraw/zinc/88/52/54/534885254.db2.gz PKFCFDBDPVPKAH-GFCCVEGCSA-N 1 2 287.319 2.573 20 5 CFBDLO CC(C)(CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167798 527055114 /nfs/dbraw/zinc/05/51/14/527055114.db2.gz KJWDTQCYTQPAGU-UHFFFAOYSA-N 1 2 289.335 2.964 20 5 CFBDLO CC(C)(CO)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413336032 527205473 /nfs/dbraw/zinc/20/54/73/527205473.db2.gz UYTYJDBBTBXNBD-UHFFFAOYSA-N 1 2 289.335 2.964 20 5 CFBDLO CCOc1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111046103 528326167 /nfs/dbraw/zinc/32/61/67/528326167.db2.gz VLNBDZGOEVVQLE-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO CC[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000413292732 529373716 /nfs/dbraw/zinc/37/37/16/529373716.db2.gz AQIBNRNLOSDIFT-GFCCVEGCSA-N 1 2 275.308 2.980 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000450835162 536117218 /nfs/dbraw/zinc/11/72/18/536117218.db2.gz WLMXIXRYIMYINA-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491350137 537120434 /nfs/dbraw/zinc/12/04/34/537120434.db2.gz JGLFPKTVVRPRMR-AATRIKPKSA-N 1 2 299.286 2.650 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000742401094 574328258 /nfs/dbraw/zinc/32/82/58/574328258.db2.gz LLYMCASBIYQWCH-AWEZNQCLSA-N 1 2 272.308 2.633 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1[N+](=O)[O-] ZINC000895834792 619619770 /nfs/dbraw/zinc/61/97/70/619619770.db2.gz UWIWUHWIZUZAFP-UHFFFAOYSA-N 1 2 286.335 2.724 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000896583976 619767217 /nfs/dbraw/zinc/76/72/17/619767217.db2.gz KWQCQZUCRJEGNP-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000896583976 619767219 /nfs/dbraw/zinc/76/72/19/619767219.db2.gz KWQCQZUCRJEGNP-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C)n1 ZINC000902124790 620983717 /nfs/dbraw/zinc/98/37/17/620983717.db2.gz LKHPUAGZOWTKKM-UHFFFAOYSA-N 1 2 288.307 2.704 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000061319963 623201892 /nfs/dbraw/zinc/20/18/92/623201892.db2.gz XRPRQEGUCPGVDU-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1c(C[NH2+]Cc2ncc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000231885240 623373151 /nfs/dbraw/zinc/37/31/51/623373151.db2.gz CDXYSIUVGPVRGJ-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566054 623900315 /nfs/dbraw/zinc/90/03/15/623900315.db2.gz PFVPMIMIBVKSNE-HNNXBMFYSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000914566054 623900320 /nfs/dbraw/zinc/90/03/20/623900320.db2.gz PFVPMIMIBVKSNE-HNNXBMFYSA-N 1 2 286.335 2.894 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nccn1C ZINC000827722550 624077523 /nfs/dbraw/zinc/07/75/23/624077523.db2.gz MQOUVSVKDPDLQL-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO CC(C)[N@@H+](Cc1cccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000919954976 624648045 /nfs/dbraw/zinc/64/80/45/624648045.db2.gz RSPPVXWGLXFYIZ-UHFFFAOYSA-N 1 2 280.353 2.721 20 5 CFBDLO CC(C)[N@H+](Cc1cccs1)Cn1cc([N+](=O)[O-])cn1 ZINC000919954976 624648050 /nfs/dbraw/zinc/64/80/50/624648050.db2.gz RSPPVXWGLXFYIZ-UHFFFAOYSA-N 1 2 280.353 2.721 20 5 CFBDLO CCc1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)co1 ZINC000834899942 625915693 /nfs/dbraw/zinc/91/56/93/625915693.db2.gz RVOOOEJONXMGCU-SECBINFHSA-N 1 2 290.323 2.578 20 5 CFBDLO Cc1c(C[NH2+][C@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000922577951 626315261 /nfs/dbraw/zinc/31/52/61/626315261.db2.gz WRYZLWVUWKTQBW-HNNXBMFYSA-N 1 2 298.346 2.934 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201016 626532009 /nfs/dbraw/zinc/53/20/09/626532009.db2.gz BXKYIUXWIKBCDD-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201016 626532010 /nfs/dbraw/zinc/53/20/10/626532010.db2.gz BXKYIUXWIKBCDD-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 ZINC000773039996 627773211 /nfs/dbraw/zinc/77/32/11/627773211.db2.gz HTOTUGCAFZHIRX-SECBINFHSA-N 1 2 292.726 2.889 20 5 CFBDLO CN(C)c1cc(COc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000782110087 628604826 /nfs/dbraw/zinc/60/48/26/628604826.db2.gz JIWRGSJLTKMPIK-UHFFFAOYSA-N 1 2 273.292 2.635 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782535827 628643695 /nfs/dbraw/zinc/64/36/95/628643695.db2.gz MQTFWKHSVPIGLA-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000782535827 628643698 /nfs/dbraw/zinc/64/36/98/628643698.db2.gz MQTFWKHSVPIGLA-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788460625 629071273 /nfs/dbraw/zinc/07/12/73/629071273.db2.gz RVJNBONDFZFSEW-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788460625 629071277 /nfs/dbraw/zinc/07/12/77/629071277.db2.gz RVJNBONDFZFSEW-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054419 629283956 /nfs/dbraw/zinc/28/39/56/629283956.db2.gz UYHYEILWLJWMBS-GXFFZTMASA-N 1 2 264.325 2.644 20 5 CFBDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054419 629283960 /nfs/dbraw/zinc/28/39/60/629283960.db2.gz UYHYEILWLJWMBS-GXFFZTMASA-N 1 2 264.325 2.644 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840098651 630891497 /nfs/dbraw/zinc/89/14/97/630891497.db2.gz DXCNKSXSQYRCSW-CQSZACIVSA-N 1 2 292.314 2.726 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840098651 630891504 /nfs/dbraw/zinc/89/15/04/630891504.db2.gz DXCNKSXSQYRCSW-CQSZACIVSA-N 1 2 292.314 2.726 20 5 CFBDLO Cc1cc(NCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000811845620 631632548 /nfs/dbraw/zinc/63/25/48/631632548.db2.gz CIQJWEZSGQWVJT-UHFFFAOYSA-N 1 2 280.715 2.902 20 5 CFBDLO CCc1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])co1 ZINC000848553586 633287773 /nfs/dbraw/zinc/28/77/73/633287773.db2.gz LRWRSDZRNFNATG-ZDUSSCGKSA-N 1 2 287.319 2.922 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000850506770 634022913 /nfs/dbraw/zinc/02/29/13/634022913.db2.gz BRUNXQSHIHNWNO-ZFWWWQNUSA-N 1 2 298.346 2.726 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000850506769 634022966 /nfs/dbraw/zinc/02/29/66/634022966.db2.gz BRUNXQSHIHNWNO-UKRRQHHQSA-N 1 2 298.346 2.726 20 5 CFBDLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000865521155 638392708 /nfs/dbraw/zinc/39/27/08/638392708.db2.gz MDEWEFRHJDUPMV-LLVKDONJSA-N 1 2 286.335 2.977 20 5 CFBDLO CC(C)(C)c1cn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000871989554 641543928 /nfs/dbraw/zinc/54/39/28/641543928.db2.gz ONPXCXBMDRZVNA-ZDUSSCGKSA-N 1 2 289.335 2.822 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872039314 641573772 /nfs/dbraw/zinc/57/37/72/641573772.db2.gz SHXBNYWXNRGWIF-SECBINFHSA-N 1 2 278.287 2.616 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000880003488 644495158 /nfs/dbraw/zinc/49/51/58/644495158.db2.gz HWCPXWSZAXMEPO-SNVBAGLBSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000880003488 644495162 /nfs/dbraw/zinc/49/51/62/644495162.db2.gz HWCPXWSZAXMEPO-SNVBAGLBSA-N 1 2 293.245 2.666 20 5 CFBDLO COc1cccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000885943161 646777822 /nfs/dbraw/zinc/77/78/22/646777822.db2.gz YNPFEHZMMFBRQR-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])c1 ZINC000885943161 646777823 /nfs/dbraw/zinc/77/78/23/646777823.db2.gz YNPFEHZMMFBRQR-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886092303 646864010 /nfs/dbraw/zinc/86/40/10/646864010.db2.gz SWLYZPXJPDDOJJ-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886092303 646864012 /nfs/dbraw/zinc/86/40/12/646864012.db2.gz SWLYZPXJPDDOJJ-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO CSCC(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934665066 649813417 /nfs/dbraw/zinc/81/34/17/649813417.db2.gz VZKXOFYVBJAQEW-UHFFFAOYSA-N 1 2 270.354 2.532 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC001225780225 775592511 /nfs/dbraw/zinc/59/25/11/775592511.db2.gz WVZJNVZDLYFFJL-UHFFFAOYSA-N 1 2 286.278 2.735 20 5 CFBDLO Cn1c[nH+]cc1-c1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001231084143 777136996 /nfs/dbraw/zinc/13/69/96/777136996.db2.gz YCLXOJWEJVJOQF-OAHLLOKOSA-N 1 2 287.319 2.521 20 5 CFBDLO Cc1cc(F)c(OC2C[NH+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001234054125 779128702 /nfs/dbraw/zinc/12/87/02/779128702.db2.gz ABINBFUJGRIGRH-UHFFFAOYSA-N 1 2 282.315 2.904 20 5 CFBDLO CN(C)c1ccc(CNc2ccsc2[N+](=O)[O-])c[nH+]1 ZINC000067912382 346827719 /nfs/dbraw/zinc/82/77/19/346827719.db2.gz JAKDLMWQJLKQKE-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595351089 349608772 /nfs/dbraw/zinc/60/87/72/349608772.db2.gz NKKFKRFWLGNORU-GFCCVEGCSA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595351089 349608777 /nfs/dbraw/zinc/60/87/77/349608777.db2.gz NKKFKRFWLGNORU-GFCCVEGCSA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1[N+](=O)[O-] ZINC000595359323 349609566 /nfs/dbraw/zinc/60/95/66/349609566.db2.gz MIFDXPHVGDHQDK-NSHDSACASA-N 1 2 276.296 2.556 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1[N+](=O)[O-] ZINC000595359323 349609571 /nfs/dbraw/zinc/60/95/71/349609571.db2.gz MIFDXPHVGDHQDK-NSHDSACASA-N 1 2 276.296 2.556 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595398842 349616463 /nfs/dbraw/zinc/61/64/63/349616463.db2.gz RWUIXPKUXHNDLB-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595398842 349616465 /nfs/dbraw/zinc/61/64/65/349616465.db2.gz RWUIXPKUXHNDLB-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000595429016 349623089 /nfs/dbraw/zinc/62/30/89/349623089.db2.gz AXYYIWSOJFJLNO-LBPRGKRZSA-N 1 2 294.282 2.804 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000595558649 349658979 /nfs/dbraw/zinc/65/89/79/349658979.db2.gz OHSGNFLUMOWZJS-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000595558649 349658980 /nfs/dbraw/zinc/65/89/80/349658980.db2.gz OHSGNFLUMOWZJS-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595595017 349668974 /nfs/dbraw/zinc/66/89/74/349668974.db2.gz ANIYCJLYGPWKAN-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595595017 349668975 /nfs/dbraw/zinc/66/89/75/349668975.db2.gz ANIYCJLYGPWKAN-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000595656497 349692508 /nfs/dbraw/zinc/69/25/08/349692508.db2.gz AMTOTNLKPHSHAZ-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3ccc(C)cc3C2)c1[N+](=O)[O-] ZINC000595656497 349692512 /nfs/dbraw/zinc/69/25/12/349692512.db2.gz AMTOTNLKPHSHAZ-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595674261 349697100 /nfs/dbraw/zinc/69/71/00/349697100.db2.gz JWQFENYMLCWHOG-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595674261 349697105 /nfs/dbraw/zinc/69/71/05/349697105.db2.gz JWQFENYMLCWHOG-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]4COC[C@@H]4C3)c2c1 ZINC000596526417 349930438 /nfs/dbraw/zinc/93/04/38/349930438.db2.gz DQKGZHNAJGJQSS-STQMWFEESA-N 1 2 299.330 2.616 20 5 CFBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596541374 349935608 /nfs/dbraw/zinc/93/56/08/349935608.db2.gz FPQAGSSCROTBBV-SSDOTTSWSA-N 1 2 252.299 2.563 20 5 CFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH+]ccn1C ZINC000596541761 349935899 /nfs/dbraw/zinc/93/58/99/349935899.db2.gz FRNUTWHXBWZQAX-SSDOTTSWSA-N 1 2 281.703 2.550 20 5 CFBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032489139 346305536 /nfs/dbraw/zinc/30/55/36/346305536.db2.gz VXXWVXZINZKWPK-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032489139 346305538 /nfs/dbraw/zinc/30/55/38/346305538.db2.gz VXXWVXZINZKWPK-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO Cc1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045108325 346403677 /nfs/dbraw/zinc/40/36/77/346403677.db2.gz MZHNCUHSCWTUJS-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO Cc1c(C[N@H+]2C[C@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051474721 346504290 /nfs/dbraw/zinc/50/42/90/346504290.db2.gz CPHOTZXVKRHHPK-QWRGUYRKSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051474721 346504292 /nfs/dbraw/zinc/50/42/92/346504292.db2.gz CPHOTZXVKRHHPK-QWRGUYRKSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ncc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000052101207 346513523 /nfs/dbraw/zinc/51/35/23/346513523.db2.gz QIUSRZQEQFWLFK-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ncc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000052101207 346513527 /nfs/dbraw/zinc/51/35/27/346513527.db2.gz QIUSRZQEQFWLFK-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1c(NC(=O)c2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000057778243 346636747 /nfs/dbraw/zinc/63/67/47/346636747.db2.gz JNFJPJVILJQPQA-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccn2cc(CNc3ncc(C)cc3[N+](=O)[O-])[nH+]c2c1 ZINC000078653682 347267343 /nfs/dbraw/zinc/26/73/43/347267343.db2.gz VPCYIUPZQOJUMY-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1occc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092438419 347624072 /nfs/dbraw/zinc/62/40/72/347624072.db2.gz GBAKTTNPYQXETE-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO Cc1occc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092438419 347624073 /nfs/dbraw/zinc/62/40/73/347624073.db2.gz GBAKTTNPYQXETE-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000092667143 347639031 /nfs/dbraw/zinc/63/90/31/347639031.db2.gz COVAQYDOIKNSMN-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000092667143 347639035 /nfs/dbraw/zinc/63/90/35/347639035.db2.gz COVAQYDOIKNSMN-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093501912 347677309 /nfs/dbraw/zinc/67/73/09/347677309.db2.gz KAVDOQHVUKSKRD-LBPRGKRZSA-N 1 2 282.365 2.628 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093501912 347677310 /nfs/dbraw/zinc/67/73/10/347677310.db2.gz KAVDOQHVUKSKRD-LBPRGKRZSA-N 1 2 282.365 2.628 20 5 CFBDLO Cc1nn(Cc2ccc(C(C)C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000295151133 199374184 /nfs/dbraw/zinc/37/41/84/199374184.db2.gz FZBVMZKMKFWUMB-UHFFFAOYSA-N 1 2 274.324 2.975 20 5 CFBDLO Cn1cc[nH+]c1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000312301012 348418262 /nfs/dbraw/zinc/41/82/62/348418262.db2.gz WWHYOIUMQIBTFI-UHFFFAOYSA-N 1 2 282.250 2.878 20 5 CFBDLO COCCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413081602 233015131 /nfs/dbraw/zinc/01/51/31/233015131.db2.gz FXRINKJMWDKTJS-UHFFFAOYSA-N 1 2 275.308 2.616 20 5 CFBDLO C[C@@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000413132344 233021556 /nfs/dbraw/zinc/02/15/56/233021556.db2.gz GBSRDOLVSGEGFC-HNNXBMFYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@]1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000413132345 233021876 /nfs/dbraw/zinc/02/18/76/233021876.db2.gz GBSRDOLVSGEGFC-OAHLLOKOSA-N 1 2 287.319 2.982 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000590169313 348881754 /nfs/dbraw/zinc/88/17/54/348881754.db2.gz NGSUQSIJUYMEQZ-VIFPVBQESA-N 1 2 290.241 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000590169313 348881755 /nfs/dbraw/zinc/88/17/55/348881755.db2.gz NGSUQSIJUYMEQZ-VIFPVBQESA-N 1 2 290.241 2.685 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000593022138 349189206 /nfs/dbraw/zinc/18/92/06/349189206.db2.gz VJNYASIKPNXKJL-LLVKDONJSA-N 1 2 286.335 2.588 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC12CCCC2 ZINC000593038641 349191074 /nfs/dbraw/zinc/19/10/74/349191074.db2.gz KNVRRTSSGYIWOV-UHFFFAOYSA-N 1 2 262.309 2.819 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC12CCCC2 ZINC000593038641 349191078 /nfs/dbraw/zinc/19/10/78/349191078.db2.gz KNVRRTSSGYIWOV-UHFFFAOYSA-N 1 2 262.309 2.819 20 5 CFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058437 349197586 /nfs/dbraw/zinc/19/75/86/349197586.db2.gz MAGRQUKGXCNISJ-GFCCVEGCSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058437 349197588 /nfs/dbraw/zinc/19/75/88/349197588.db2.gz MAGRQUKGXCNISJ-GFCCVEGCSA-N 1 2 294.351 2.690 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414558177 233292351 /nfs/dbraw/zinc/29/23/51/233292351.db2.gz RSISWHWCRWNKNZ-UHFFFAOYSA-N 1 2 290.348 2.614 20 5 CFBDLO C[C@H](CO)[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045474 350364158 /nfs/dbraw/zinc/36/41/58/350364158.db2.gz AYLDLNVZXCWPEM-ZJUUUORDSA-N 1 2 275.308 2.572 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC2(CCO2)CC1 ZINC000599073996 350371558 /nfs/dbraw/zinc/37/15/58/350371558.db2.gz IGKFTIHMBHUAOP-UHFFFAOYSA-N 1 2 299.330 2.902 20 5 CFBDLO Cc1noc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599514855 350448894 /nfs/dbraw/zinc/44/88/94/350448894.db2.gz LWFMTWOTPLYHAK-YUMQZZPRSA-N 1 2 289.282 2.614 20 5 CFBDLO COc1cc(C(=O)Nc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000107291601 186166480 /nfs/dbraw/zinc/16/64/80/186166480.db2.gz JCRJRNCWBZSUSO-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CCC(C)(C)OC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000600187449 350535320 /nfs/dbraw/zinc/53/53/20/350535320.db2.gz FEKYIGZWQOMRHJ-UHFFFAOYSA-N 1 2 278.352 2.984 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1conc1C ZINC000601141135 350680628 /nfs/dbraw/zinc/68/06/28/350680628.db2.gz AUCOIIRXAHAQAQ-UHFFFAOYSA-N 1 2 291.307 2.580 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)n2cc[nH+]c2)c1 ZINC000601198215 350694707 /nfs/dbraw/zinc/69/47/07/350694707.db2.gz RCNJNVGBGZWJJZ-UHFFFAOYSA-N 1 2 274.324 2.947 20 5 CFBDLO C[C@@H](Nc1ccsc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000601198688 350695159 /nfs/dbraw/zinc/69/51/59/350695159.db2.gz FOIAIFQEKSRAPV-SSDOTTSWSA-N 1 2 252.299 2.563 20 5 CFBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602760054 351015824 /nfs/dbraw/zinc/01/58/24/351015824.db2.gz VPFWTTQJHLANON-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602760054 351015826 /nfs/dbraw/zinc/01/58/26/351015826.db2.gz VPFWTTQJHLANON-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3cccnc3[N+](=O)[O-])cn21 ZINC000609464011 351502538 /nfs/dbraw/zinc/50/25/38/351502538.db2.gz PIGHVBZUQULPQV-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000609618911 351511815 /nfs/dbraw/zinc/51/18/15/351511815.db2.gz BSUZXBQEUHBWHS-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(Oc2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000610128216 351534644 /nfs/dbraw/zinc/53/46/44/351534644.db2.gz GVLCCDQMFUXBMO-UHFFFAOYSA-N 1 2 297.274 2.671 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501294 351697963 /nfs/dbraw/zinc/69/79/63/351697963.db2.gz AIHPAWNYDUKRFB-ZWNOBZJWSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501294 351697967 /nfs/dbraw/zinc/69/79/67/351697967.db2.gz AIHPAWNYDUKRFB-ZWNOBZJWSA-N 1 2 282.315 2.783 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cncnc2)C2CC2)cc1 ZINC000154252108 188131569 /nfs/dbraw/zinc/13/15/69/188131569.db2.gz AGDKGDSECCGUBF-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cncnc2)C2CC2)cc1 ZINC000154252108 188131570 /nfs/dbraw/zinc/13/15/70/188131570.db2.gz AGDKGDSECCGUBF-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO C[N@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182164076 189315977 /nfs/dbraw/zinc/31/59/77/189315977.db2.gz VDFDAMTYUWWTOE-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182164076 189315978 /nfs/dbraw/zinc/31/59/78/189315978.db2.gz VDFDAMTYUWWTOE-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO O=[N+]([O-])c1ccccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301784491 201195791 /nfs/dbraw/zinc/19/57/91/201195791.db2.gz VDNPYHKFGYYTAN-GFCCVEGCSA-N 1 2 284.319 2.681 20 5 CFBDLO COc1cc(NCCc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000301844403 201230155 /nfs/dbraw/zinc/23/01/55/201230155.db2.gz LPCSFOGUZJANCW-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000444711070 241176126 /nfs/dbraw/zinc/17/61/26/241176126.db2.gz WKXALUUAAUYCSV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1cc(C)cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000444711070 241176133 /nfs/dbraw/zinc/17/61/33/241176133.db2.gz WKXALUUAAUYCSV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446063641 241268035 /nfs/dbraw/zinc/26/80/35/241268035.db2.gz RQSNFHSVTJVJOL-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446063641 241268039 /nfs/dbraw/zinc/26/80/39/241268039.db2.gz RQSNFHSVTJVJOL-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@H]1[N@H+](Cc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330598145 203019292 /nfs/dbraw/zinc/01/92/92/203019292.db2.gz AZDADLKSYBKFIO-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330598145 203019295 /nfs/dbraw/zinc/01/92/95/203019295.db2.gz AZDADLKSYBKFIO-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000230687244 189810669 /nfs/dbraw/zinc/81/06/69/189810669.db2.gz JPOLILLSTAGGNX-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO C[N@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000459309769 245132334 /nfs/dbraw/zinc/13/23/34/245132334.db2.gz VWDBVCXPZUYSMN-UHFFFAOYSA-N 1 2 298.346 2.894 20 5 CFBDLO C[N@@H+](Cc1cnc(C2CC2)nc1)Cc1ccccc1[N+](=O)[O-] ZINC000459309769 245132335 /nfs/dbraw/zinc/13/23/35/245132335.db2.gz VWDBVCXPZUYSMN-UHFFFAOYSA-N 1 2 298.346 2.894 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289489345 197371931 /nfs/dbraw/zinc/37/19/31/197371931.db2.gz JHSRSPFCRJXWKA-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289489345 197371933 /nfs/dbraw/zinc/37/19/33/197371933.db2.gz JHSRSPFCRJXWKA-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000491852162 246097923 /nfs/dbraw/zinc/09/79/23/246097923.db2.gz WUVWIJBNMPTYHS-FPLPWBNLSA-N 1 2 297.314 2.626 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)O1 ZINC000094774717 375377441 /nfs/dbraw/zinc/37/74/41/375377441.db2.gz NMHFYCVUXOXDJR-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)O1 ZINC000094774717 375377444 /nfs/dbraw/zinc/37/74/44/375377444.db2.gz NMHFYCVUXOXDJR-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1cnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000507175064 247167022 /nfs/dbraw/zinc/16/70/22/247167022.db2.gz UJFBGNCYIVSNTB-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000507175064 247167025 /nfs/dbraw/zinc/16/70/25/247167025.db2.gz UJFBGNCYIVSNTB-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000263780636 190078508 /nfs/dbraw/zinc/07/85/08/190078508.db2.gz OBWVIGTYQJVCLM-IJLUTSLNSA-N 1 2 264.325 2.765 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121239193 376789604 /nfs/dbraw/zinc/78/96/04/376789604.db2.gz ZMPADRNAYQZPTO-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121239193 376789619 /nfs/dbraw/zinc/78/96/19/376789619.db2.gz ZMPADRNAYQZPTO-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO Cn1cc[nH+]c1CSCc1ccc([N+](=O)[O-])cc1 ZINC000131088993 377656191 /nfs/dbraw/zinc/65/61/91/377656191.db2.gz SIZAEAIFYQZUNA-UHFFFAOYSA-N 1 2 263.322 2.762 20 5 CFBDLO Cc1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000153187238 378480310 /nfs/dbraw/zinc/48/03/10/378480310.db2.gz SCOZICMFZYTOOT-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000153187238 378480316 /nfs/dbraw/zinc/48/03/16/378480316.db2.gz SCOZICMFZYTOOT-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000330446693 378557553 /nfs/dbraw/zinc/55/75/53/378557553.db2.gz FLRJQMMUTIXLGC-AWEZNQCLSA-N 1 2 294.351 2.595 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331160048 378642295 /nfs/dbraw/zinc/64/22/95/378642295.db2.gz KQYUSWHCWPBPKV-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331160048 378642297 /nfs/dbraw/zinc/64/22/97/378642297.db2.gz KQYUSWHCWPBPKV-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CO[C@]1(C)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332254146 378739533 /nfs/dbraw/zinc/73/95/33/378739533.db2.gz YYYDDPZDSXCNJX-OAHLLOKOSA-N 1 2 294.351 2.691 20 5 CFBDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332254146 378739539 /nfs/dbraw/zinc/73/95/39/378739539.db2.gz YYYDDPZDSXCNJX-OAHLLOKOSA-N 1 2 294.351 2.691 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432325165 383736943 /nfs/dbraw/zinc/73/69/43/383736943.db2.gz ZGPPFSUDRRAIBN-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000267017876 190297404 /nfs/dbraw/zinc/29/74/04/190297404.db2.gz JSMBQHUVYUUVPX-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000267017876 190297405 /nfs/dbraw/zinc/29/74/05/190297405.db2.gz JSMBQHUVYUUVPX-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1COC1 ZINC000295512258 380906783 /nfs/dbraw/zinc/90/67/83/380906783.db2.gz UDSGKPUBQZWHKK-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO CC(C)[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1COC1 ZINC000295512258 380906792 /nfs/dbraw/zinc/90/67/92/380906792.db2.gz UDSGKPUBQZWHKK-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO COc1cc[nH+]cc1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000341344772 380953110 /nfs/dbraw/zinc/95/31/10/380953110.db2.gz UALCVEBRAQRVJH-UHFFFAOYSA-N 1 2 298.302 2.705 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nccs1 ZINC000411889123 381046344 /nfs/dbraw/zinc/04/63/44/381046344.db2.gz WPNVAUCRSSZFCY-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000358773741 381074433 /nfs/dbraw/zinc/07/44/33/381074433.db2.gz ZIBOIWGHHZUKBN-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[C@]1(F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347395305 381122583 /nfs/dbraw/zinc/12/25/83/381122583.db2.gz SSUPRAJDDSDDQJ-ZDUSSCGKSA-N 1 2 279.271 2.670 20 5 CFBDLO C[C@]1(F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347395305 381122590 /nfs/dbraw/zinc/12/25/90/381122590.db2.gz SSUPRAJDDSDDQJ-ZDUSSCGKSA-N 1 2 279.271 2.670 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341593196 381110934 /nfs/dbraw/zinc/11/09/34/381110934.db2.gz ZADQYUJKRHZPHC-ZJUUUORDSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)n1 ZINC000359100092 381265785 /nfs/dbraw/zinc/26/57/85/381265785.db2.gz WYWQFYSNQRBBMJ-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1c[nH]nc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412117 /nfs/dbraw/zinc/41/21/17/381412117.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1c[nH]nc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412126 /nfs/dbraw/zinc/41/21/26/381412126.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1cn[nH]c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412132 /nfs/dbraw/zinc/41/21/32/381412132.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1cn[nH]c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000290399764 381412143 /nfs/dbraw/zinc/41/21/43/381412143.db2.gz KHAVRYRYAAWGEJ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1ccc(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)c(C)[nH+]1 ZINC000185313258 381593100 /nfs/dbraw/zinc/59/31/00/381593100.db2.gz NIKWLARWPYMGAH-UHFFFAOYSA-N 1 2 299.286 2.563 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOCC1 ZINC000371556691 381659196 /nfs/dbraw/zinc/65/91/96/381659196.db2.gz BKBJABARAWUJSV-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOCC1 ZINC000371556691 381659203 /nfs/dbraw/zinc/65/92/03/381659203.db2.gz BKBJABARAWUJSV-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1cc(N2CC(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343542909 381785679 /nfs/dbraw/zinc/78/56/79/381785679.db2.gz SJJVJIGDSXCYHO-UHFFFAOYSA-N 1 2 288.282 2.518 20 5 CFBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343596838 381826969 /nfs/dbraw/zinc/82/69/69/381826969.db2.gz DKGKXCXYBIDYGE-LBPRGKRZSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343596838 381826976 /nfs/dbraw/zinc/82/69/76/381826976.db2.gz DKGKXCXYBIDYGE-LBPRGKRZSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1cc(N(C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352418086 382320652 /nfs/dbraw/zinc/32/06/52/382320652.db2.gz YOGMOIGKPCHLGB-UHFFFAOYSA-N 1 2 284.319 2.959 20 5 CFBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000188170512 382360800 /nfs/dbraw/zinc/36/08/00/382360800.db2.gz HQSUPUCNNXJBIN-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294026688 382385438 /nfs/dbraw/zinc/38/54/38/382385438.db2.gz NVIGRRWQEKSSIA-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294026688 382385441 /nfs/dbraw/zinc/38/54/41/382385441.db2.gz NVIGRRWQEKSSIA-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC000421574590 382586107 /nfs/dbraw/zinc/58/61/07/382586107.db2.gz GWKFLBXJJIMCQP-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO COCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000337945075 382876020 /nfs/dbraw/zinc/87/60/20/382876020.db2.gz HWSLKWKFKYBTGH-AWEZNQCLSA-N 1 2 296.367 2.841 20 5 CFBDLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cc([N+](=O)[O-])c1 ZINC000535036580 382945782 /nfs/dbraw/zinc/94/57/82/382945782.db2.gz UFTYFAZMXQWLET-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245537798 383004483 /nfs/dbraw/zinc/00/44/83/383004483.db2.gz JEFRSIBOBZFSSA-JHSWMASBSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245537798 383004488 /nfs/dbraw/zinc/00/44/88/383004488.db2.gz JEFRSIBOBZFSSA-JHSWMASBSA-N 1 2 276.336 2.717 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339083972 383143815 /nfs/dbraw/zinc/14/38/15/383143815.db2.gz ONZDILRJLDWXPV-NSHDSACASA-N 1 2 293.348 2.998 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339002540 383116099 /nfs/dbraw/zinc/11/60/99/383116099.db2.gz UAWUBBVTPAYCQC-OAHLLOKOSA-N 1 2 296.342 2.625 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339002540 383116103 /nfs/dbraw/zinc/11/61/03/383116103.db2.gz UAWUBBVTPAYCQC-OAHLLOKOSA-N 1 2 296.342 2.625 20 5 CFBDLO CO[C@@H](C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339003210 383116858 /nfs/dbraw/zinc/11/68/58/383116858.db2.gz GJNCMLAJXPZYDW-NSHDSACASA-N 1 2 282.340 2.546 20 5 CFBDLO CO[C@@H](C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339003210 383116863 /nfs/dbraw/zinc/11/68/63/383116863.db2.gz GJNCMLAJXPZYDW-NSHDSACASA-N 1 2 282.340 2.546 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003193 383117215 /nfs/dbraw/zinc/11/72/15/383117215.db2.gz FXEYDZXNRZMBNF-ZJUUUORDSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003193 383117218 /nfs/dbraw/zinc/11/72/18/383117218.db2.gz FXEYDZXNRZMBNF-ZJUUUORDSA-N 1 2 250.298 2.531 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CCCC2 ZINC000567096053 383239826 /nfs/dbraw/zinc/23/98/26/383239826.db2.gz VOGUBOWKAUYIRJ-OAHLLOKOSA-N 1 2 286.335 2.875 20 5 CFBDLO CCO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492699 383330274 /nfs/dbraw/zinc/33/02/74/383330274.db2.gz JWUPWPFBIIZSAB-NHYWBVRUSA-N 1 2 294.351 2.547 20 5 CFBDLO CCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492699 383330276 /nfs/dbraw/zinc/33/02/76/383330276.db2.gz JWUPWPFBIIZSAB-NHYWBVRUSA-N 1 2 294.351 2.547 20 5 CFBDLO CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492700 383330626 /nfs/dbraw/zinc/33/06/26/383330626.db2.gz JWUPWPFBIIZSAB-XHDPSFHLSA-N 1 2 294.351 2.547 20 5 CFBDLO CCO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492700 383330631 /nfs/dbraw/zinc/33/06/31/383330631.db2.gz JWUPWPFBIIZSAB-XHDPSFHLSA-N 1 2 294.351 2.547 20 5 CFBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000449498318 383335559 /nfs/dbraw/zinc/33/55/59/383335559.db2.gz KCVMNBCIPVMNEM-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000449498318 383335563 /nfs/dbraw/zinc/33/55/63/383335563.db2.gz KCVMNBCIPVMNEM-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000340077259 383349824 /nfs/dbraw/zinc/34/98/24/383349824.db2.gz IDHZNRCTYHJYCG-UHFFFAOYSA-N 1 2 297.318 2.781 20 5 CFBDLO CC1(C)CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000569883735 383547378 /nfs/dbraw/zinc/54/73/78/383547378.db2.gz ZWVWQWSRVWDKEV-GFCCVEGCSA-N 1 2 250.298 2.579 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000450833015 383510827 /nfs/dbraw/zinc/51/08/27/383510827.db2.gz SMNVYSIRILEBKF-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000570100672 383572564 /nfs/dbraw/zinc/57/25/64/383572564.db2.gz STQMPEZXNUKWLV-LBPRGKRZSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000570100672 383572567 /nfs/dbraw/zinc/57/25/67/383572567.db2.gz STQMPEZXNUKWLV-LBPRGKRZSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000264814106 383785321 /nfs/dbraw/zinc/78/53/21/383785321.db2.gz FCQUKWLTMOTRSF-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459793535 285088885 /nfs/dbraw/zinc/08/88/85/285088885.db2.gz KUSCOBNXDFFHCM-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459793535 285088889 /nfs/dbraw/zinc/08/88/89/285088889.db2.gz KUSCOBNXDFFHCM-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO CO[C@H](C)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413298672 533079731 /nfs/dbraw/zinc/07/97/31/533079731.db2.gz SQNRJXKLUFBDSD-SNVBAGLBSA-N 1 2 275.308 2.614 20 5 CFBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268933554 384695598 /nfs/dbraw/zinc/69/55/98/384695598.db2.gz CTAFOBRTSRICRR-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000269868536 384887681 /nfs/dbraw/zinc/88/76/81/384887681.db2.gz LTCKDHKAEHFDLK-CYBMUJFWSA-N 1 2 298.346 2.989 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342477000 285155603 /nfs/dbraw/zinc/15/56/03/285155603.db2.gz FXOHCTSXCWYFDZ-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000342477000 285155605 /nfs/dbraw/zinc/15/56/05/285155605.db2.gz FXOHCTSXCWYFDZ-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000270620572 385166908 /nfs/dbraw/zinc/16/69/08/385166908.db2.gz JYQLUUBYUKFJNX-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000270620572 385166911 /nfs/dbraw/zinc/16/69/11/385166911.db2.gz JYQLUUBYUKFJNX-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ncccc2C1 ZINC000367860760 285160712 /nfs/dbraw/zinc/16/07/12/285160712.db2.gz WGXNGZIJVOEJAE-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ncccc2C1 ZINC000367860760 285160717 /nfs/dbraw/zinc/16/07/17/285160717.db2.gz WGXNGZIJVOEJAE-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282604925 385351635 /nfs/dbraw/zinc/35/16/35/385351635.db2.gz YIKWLOHCHXFHJM-JTQLQIEISA-N 1 2 298.314 2.507 20 5 CFBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282604925 385351639 /nfs/dbraw/zinc/35/16/39/385351639.db2.gz YIKWLOHCHXFHJM-JTQLQIEISA-N 1 2 298.314 2.507 20 5 CFBDLO CC(C)[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000282730064 385378013 /nfs/dbraw/zinc/37/80/13/385378013.db2.gz CJWIIUDAZKRQQP-SNVBAGLBSA-N 1 2 294.336 2.507 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268275 385450959 /nfs/dbraw/zinc/45/09/59/385450959.db2.gz WMCITOCQFIPKOO-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000283268275 385450961 /nfs/dbraw/zinc/45/09/61/385450961.db2.gz WMCITOCQFIPKOO-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000275232516 385961824 /nfs/dbraw/zinc/96/18/24/385961824.db2.gz NEPXHMGQDKURSY-WDEREUQCSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000275232516 385961830 /nfs/dbraw/zinc/96/18/30/385961830.db2.gz NEPXHMGQDKURSY-WDEREUQCSA-N 1 2 262.309 2.567 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450825924 291998491 /nfs/dbraw/zinc/99/84/91/291998491.db2.gz FXXFPZSNBSFYGV-ONGXEEELSA-N 1 2 273.296 2.613 20 5 CFBDLO CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330584232 393555042 /nfs/dbraw/zinc/55/50/42/393555042.db2.gz SSTYYZJPELRKPQ-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO COc1cc(C)[nH+]c(CN2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000411403169 393708320 /nfs/dbraw/zinc/70/83/20/393708320.db2.gz SXQWIXQZPUSXTK-UHFFFAOYSA-N 1 2 299.330 2.870 20 5 CFBDLO C[C@@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000118418679 393911316 /nfs/dbraw/zinc/91/13/16/393911316.db2.gz ROQQMPKUJKCLLY-IUCAKERBSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000118418679 393911317 /nfs/dbraw/zinc/91/13/17/393911317.db2.gz ROQQMPKUJKCLLY-IUCAKERBSA-N 1 2 272.395 2.982 20 5 CFBDLO Cc1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc[nH+]1 ZINC000119991940 393928095 /nfs/dbraw/zinc/92/80/95/393928095.db2.gz BVVKGRLJLFWPMU-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO CN(C)c1ccc(NCc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000150909389 394256096 /nfs/dbraw/zinc/25/60/96/394256096.db2.gz PPIQURHRBLVSCB-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634527 394367414 /nfs/dbraw/zinc/36/74/14/394367414.db2.gz HWFAUGJONAIITG-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634527 394367416 /nfs/dbraw/zinc/36/74/16/394367416.db2.gz HWFAUGJONAIITG-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO COc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000536006097 394551355 /nfs/dbraw/zinc/55/13/55/394551355.db2.gz BEMJTBPRCYMAOR-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000536006097 394551359 /nfs/dbraw/zinc/55/13/59/394551359.db2.gz BEMJTBPRCYMAOR-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555378430 394972903 /nfs/dbraw/zinc/97/29/03/394972903.db2.gz WKXLZPZBDWMDTO-UHFFFAOYSA-N 1 2 288.303 2.638 20 5 CFBDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555378430 394972906 /nfs/dbraw/zinc/97/29/06/394972906.db2.gz WKXLZPZBDWMDTO-UHFFFAOYSA-N 1 2 288.303 2.638 20 5 CFBDLO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459669602 286177578 /nfs/dbraw/zinc/17/75/78/286177578.db2.gz DPWUEKHBCXCASZ-CYBMUJFWSA-N 1 2 294.351 2.691 20 5 CFBDLO CCOC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000459669602 286177579 /nfs/dbraw/zinc/17/75/79/286177579.db2.gz DPWUEKHBCXCASZ-CYBMUJFWSA-N 1 2 294.351 2.691 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000295313756 286384164 /nfs/dbraw/zinc/38/41/64/286384164.db2.gz GHHHSDMEPVKAEL-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000295313756 286384168 /nfs/dbraw/zinc/38/41/68/286384168.db2.gz GHHHSDMEPVKAEL-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000276537579 292295504 /nfs/dbraw/zinc/29/55/04/292295504.db2.gz ILOSYEANIUFTCW-NEPJUHHUSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000276537579 292295507 /nfs/dbraw/zinc/29/55/07/292295507.db2.gz ILOSYEANIUFTCW-NEPJUHHUSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000375354129 157232619 /nfs/dbraw/zinc/23/26/19/157232619.db2.gz RUXOLNVHRNMKEA-ZDUSSCGKSA-N 1 2 286.335 2.963 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1csc([N+](=O)[O-])c1 ZINC000345098559 162178155 /nfs/dbraw/zinc/17/81/55/162178155.db2.gz OBMBKFSEVZWEHW-UHFFFAOYSA-N 1 2 252.295 2.881 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1csc([N+](=O)[O-])c1 ZINC000345098559 162178156 /nfs/dbraw/zinc/17/81/56/162178156.db2.gz OBMBKFSEVZWEHW-UHFFFAOYSA-N 1 2 252.295 2.881 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000350292629 163070100 /nfs/dbraw/zinc/07/01/00/163070100.db2.gz YLLPGIPABINTAJ-CYBMUJFWSA-N 1 2 290.298 2.624 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c(F)c1 ZINC000350292629 163070104 /nfs/dbraw/zinc/07/01/04/163070104.db2.gz YLLPGIPABINTAJ-CYBMUJFWSA-N 1 2 290.298 2.624 20 5 CFBDLO CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000353338487 163348118 /nfs/dbraw/zinc/34/81/18/163348118.db2.gz UWBWWYIENDFKBU-ZWNOBZJWSA-N 1 2 289.339 2.525 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C)cs1 ZINC000038091595 174105720 /nfs/dbraw/zinc/10/57/20/174105720.db2.gz OEUPRDLIEOYYDT-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339005739 287354934 /nfs/dbraw/zinc/35/49/34/287354934.db2.gz ZNGOZXWXLXSXPK-MNOVXSKESA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339005739 287354935 /nfs/dbraw/zinc/35/49/35/287354935.db2.gz ZNGOZXWXLXSXPK-MNOVXSKESA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1NCCCn1cc[nH+]c1 ZINC000020298787 262245553 /nfs/dbraw/zinc/24/55/53/262245553.db2.gz WAPVIAKNZFDBMH-UHFFFAOYSA-N 1 2 280.715 2.947 20 5 CFBDLO Cn1c[nH+]c(CCNc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000313483807 270291122 /nfs/dbraw/zinc/29/11/22/270291122.db2.gz QCJNKJQPKMESFM-UHFFFAOYSA-N 1 2 280.715 2.636 20 5 CFBDLO Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000354381291 279075645 /nfs/dbraw/zinc/07/56/45/279075645.db2.gz HDUSOKGEPISJFJ-UHFFFAOYSA-N 1 2 286.335 2.946 20 5 CFBDLO C[C@H]1COCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413258742 279920367 /nfs/dbraw/zinc/92/03/67/279920367.db2.gz FRHBUXGMQIAYFM-IINYFYTJSA-N 1 2 287.319 2.980 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOCC12CCCC2 ZINC000342874113 280372759 /nfs/dbraw/zinc/37/27/59/280372759.db2.gz LVIUYQJHYWMYMK-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOCC12CCCC2 ZINC000342874113 280372761 /nfs/dbraw/zinc/37/27/61/280372761.db2.gz LVIUYQJHYWMYMK-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000190333536 280379226 /nfs/dbraw/zinc/37/92/26/280379226.db2.gz JMNCUJJJVLFQSZ-QMMMGPOBSA-N 1 2 279.325 2.506 20 5 CFBDLO Cc1cnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000230686289 280937819 /nfs/dbraw/zinc/93/78/19/280937819.db2.gz VNPCMBTXZOJWCX-UHFFFAOYSA-N 1 2 269.351 2.711 20 5 CFBDLO Cc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000559502733 282006941 /nfs/dbraw/zinc/00/69/41/282006941.db2.gz FCIGFVQMDFPQOL-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000559502733 282006942 /nfs/dbraw/zinc/00/69/42/282006942.db2.gz FCIGFVQMDFPQOL-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1csnn1 ZINC000565219643 290283953 /nfs/dbraw/zinc/28/39/53/290283953.db2.gz XKCICCPJKBRPEW-KWQFWETISA-N 1 2 290.348 2.784 20 5 CFBDLO Cc1cc(N[C@H]2CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581029450 325084505 /nfs/dbraw/zinc/08/45/05/325084505.db2.gz YOYBCSLESXHAKQ-YGRLFVJLSA-N 1 2 298.346 2.993 20 5 CFBDLO C[C@@H](F)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413297470 534276941 /nfs/dbraw/zinc/27/69/41/534276941.db2.gz LOCFSJFCIUIPHU-SECBINFHSA-N 1 2 263.272 2.725 20 5 CFBDLO O=[N+]([O-])c1cnc(NCCCCNc2cccc[nH+]2)s1 ZINC000190323983 518203160 /nfs/dbraw/zinc/20/31/60/518203160.db2.gz AHCDKWOOSZKAIO-UHFFFAOYSA-N 1 2 293.352 2.751 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)c1 ZINC000338639716 525451222 /nfs/dbraw/zinc/45/12/22/525451222.db2.gz WRLTXEAMWZCKAH-UHFFFAOYSA-N 1 2 288.307 2.522 20 5 CFBDLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000049240933 526664942 /nfs/dbraw/zinc/66/49/42/526664942.db2.gz YNWBKPKFMHGYBT-IUCAKERBSA-N 1 2 276.296 2.698 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1Cc1ccc(C(C)C)[nH+]c1C ZINC000338547609 527315861 /nfs/dbraw/zinc/31/58/61/527315861.db2.gz WYENFKYOSPTZIL-UHFFFAOYSA-N 1 2 274.324 2.975 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000225317308 527350143 /nfs/dbraw/zinc/35/01/43/527350143.db2.gz UVOQFBPTVIYBPY-UHFFFAOYSA-N 1 2 283.740 2.995 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193855722 527401418 /nfs/dbraw/zinc/40/14/18/527401418.db2.gz CETUTTJVUMTHRO-GFCCVEGCSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000193855722 527401419 /nfs/dbraw/zinc/40/14/19/527401419.db2.gz CETUTTJVUMTHRO-GFCCVEGCSA-N 1 2 286.335 2.698 20 5 CFBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000754859120 574125281 /nfs/dbraw/zinc/12/52/81/574125281.db2.gz VDFKRCDTYAQJBT-JLHYYAGUSA-N 1 2 286.335 2.784 20 5 CFBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000754859120 574125283 /nfs/dbraw/zinc/12/52/83/574125283.db2.gz VDFKRCDTYAQJBT-JLHYYAGUSA-N 1 2 286.335 2.784 20 5 CFBDLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747524853 574199806 /nfs/dbraw/zinc/19/98/06/574199806.db2.gz UWTBLGPYTVLRKR-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO Cc1noc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000747524853 574199808 /nfs/dbraw/zinc/19/98/08/574199808.db2.gz UWTBLGPYTVLRKR-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000729684996 574228638 /nfs/dbraw/zinc/22/86/38/574228638.db2.gz ZYXFJGBZULLQPO-SSDOTTSWSA-N 1 2 296.714 2.790 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000894773757 619460551 /nfs/dbraw/zinc/46/05/51/619460551.db2.gz KMCVNYTXSWEJPI-SSDOTTSWSA-N 1 2 295.730 2.526 20 5 CFBDLO COc1c(O)ccc(C[NH2+]Cc2ccc(C)o2)c1[N+](=O)[O-] ZINC000895770323 619603348 /nfs/dbraw/zinc/60/33/48/619603348.db2.gz MDRZBOIYJVYGJK-UHFFFAOYSA-N 1 2 292.291 2.500 20 5 CFBDLO CC[C@H]([NH2+][C@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230773 620053294 /nfs/dbraw/zinc/05/32/94/620053294.db2.gz PEJNUIYVWIZGOH-MFKMUULPSA-N 1 2 289.339 2.525 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000902996495 621223383 /nfs/dbraw/zinc/22/33/83/621223383.db2.gz SOSYRTKHSUASKG-LBPRGKRZSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000902996495 621223384 /nfs/dbraw/zinc/22/33/84/621223384.db2.gz SOSYRTKHSUASKG-LBPRGKRZSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc([C@@H](C)[NH2+]Cc2cscn2)cc([N+](=O)[O-])c1 ZINC000903088251 621247792 /nfs/dbraw/zinc/24/77/92/621247792.db2.gz YNPDBXHKKUONDI-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172588949 623289314 /nfs/dbraw/zinc/28/93/14/623289314.db2.gz FQDGHUWWXAGBHM-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172588949 623289321 /nfs/dbraw/zinc/28/93/21/623289321.db2.gz FQDGHUWWXAGBHM-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000834649917 625754900 /nfs/dbraw/zinc/75/49/00/625754900.db2.gz CAIFTOGVVLXWMA-UHFFFAOYSA-N 1 2 289.339 2.761 20 5 CFBDLO CCc1onc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922982674 626436761 /nfs/dbraw/zinc/43/67/61/626436761.db2.gz DMPPTWLUJNTERU-UHFFFAOYSA-N 1 2 293.298 2.883 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1Cl ZINC000839187398 626530252 /nfs/dbraw/zinc/53/02/52/626530252.db2.gz HFIKOYZVJAXQJK-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1Cl ZINC000839187398 626530253 /nfs/dbraw/zinc/53/02/53/626530253.db2.gz HFIKOYZVJAXQJK-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012059 627879084 /nfs/dbraw/zinc/87/90/84/627879084.db2.gz AVJHOAWTHOHORX-SMDDNHRTSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012059 627879092 /nfs/dbraw/zinc/87/90/92/627879092.db2.gz AVJHOAWTHOHORX-SMDDNHRTSA-N 1 2 292.335 2.683 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(F)(F)CC1 ZINC000852001049 634622147 /nfs/dbraw/zinc/62/21/47/634622147.db2.gz DHCUPLABKZMZDU-UHFFFAOYSA-N 1 2 274.242 2.965 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccncc3C2)cc1 ZINC000809566357 631236078 /nfs/dbraw/zinc/23/60/78/631236078.db2.gz ZDODPKUZJKBKFR-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3ccncc3C2)cc1 ZINC000809566357 631236080 /nfs/dbraw/zinc/23/60/80/631236080.db2.gz ZDODPKUZJKBKFR-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CCc1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])co1 ZINC000848553584 633287521 /nfs/dbraw/zinc/28/75/21/633287521.db2.gz LRWRSDZRNFNATG-CYBMUJFWSA-N 1 2 287.319 2.922 20 5 CFBDLO C[C@H]([NH2+]Cc1cn(C)nc1Cl)c1ccccc1[N+](=O)[O-] ZINC000856776456 635856679 /nfs/dbraw/zinc/85/66/79/635856679.db2.gz RQALGXGUFGZQDZ-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1nnsc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074041 641605893 /nfs/dbraw/zinc/60/58/93/641605893.db2.gz VBAZWLXYUUMZJV-MRVPVSSYSA-N 1 2 296.327 2.745 20 5 CFBDLO CCc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)co1 ZINC000873130174 642022054 /nfs/dbraw/zinc/02/20/54/642022054.db2.gz ZPAGAHXXOOYZQX-UHFFFAOYSA-N 1 2 275.308 2.743 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440187 645724717 /nfs/dbraw/zinc/72/47/17/645724717.db2.gz ZQMBLIOAFPHCDB-AWEZNQCLSA-N 1 2 289.339 2.617 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440187 645724720 /nfs/dbraw/zinc/72/47/20/645724720.db2.gz ZQMBLIOAFPHCDB-AWEZNQCLSA-N 1 2 289.339 2.617 20 5 CFBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065837 646851634 /nfs/dbraw/zinc/85/16/34/646851634.db2.gz WJQCZVOJSSJKRB-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065837 646851637 /nfs/dbraw/zinc/85/16/37/646851637.db2.gz WJQCZVOJSSJKRB-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000886234252 646932387 /nfs/dbraw/zinc/93/23/87/646932387.db2.gz KHDMILAWGNTRQY-UHFFFAOYSA-N 1 2 291.351 2.525 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCOCC12CCCCC2 ZINC000886234252 646932389 /nfs/dbraw/zinc/93/23/89/646932389.db2.gz KHDMILAWGNTRQY-UHFFFAOYSA-N 1 2 291.351 2.525 20 5 CFBDLO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934619533 649805507 /nfs/dbraw/zinc/80/55/07/649805507.db2.gz MMNNZPMCOMUEHR-ZWNOBZJWSA-N 1 2 262.309 2.745 20 5 CFBDLO Cc1c(F)cc([N+](=O)[O-])cc1NCc1cc[nH+]c(N)c1 ZINC001167619267 773190777 /nfs/dbraw/zinc/19/07/77/773190777.db2.gz XHSNZFDDZLFQKE-UHFFFAOYSA-N 1 2 276.271 2.632 20 5 CFBDLO CC(C)[NH+]1CC(Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001168315804 778426760 /nfs/dbraw/zinc/42/67/60/778426760.db2.gz XHAGUXIDTBWSHQ-UHFFFAOYSA-N 1 2 269.732 2.753 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710152926 781329315 /nfs/dbraw/zinc/32/93/15/781329315.db2.gz HMHCTYIYKCHBRS-WDEREUQCSA-N 1 2 274.324 2.740 20 5 CFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC001119691484 781853280 /nfs/dbraw/zinc/85/32/80/781853280.db2.gz JQFQEBCSLDWESQ-QPUJVOFHSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC001119691484 781853285 /nfs/dbraw/zinc/85/32/85/781853285.db2.gz JQFQEBCSLDWESQ-QPUJVOFHSA-N 1 2 297.152 2.952 20 5 CFBDLO Cc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000594608585 349461820 /nfs/dbraw/zinc/46/18/20/349461820.db2.gz DZWKLNWVRFMHRC-UHFFFAOYSA-N 1 2 268.263 2.744 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595286488 349590718 /nfs/dbraw/zinc/59/07/18/349590718.db2.gz JGQYJFBMCTTZSD-UHFFFAOYSA-N 1 2 291.307 2.532 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595286488 349590721 /nfs/dbraw/zinc/59/07/21/349590721.db2.gz JGQYJFBMCTTZSD-UHFFFAOYSA-N 1 2 291.307 2.532 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000595293085 349593363 /nfs/dbraw/zinc/59/33/63/349593363.db2.gz XZWZFHBSAGCFBI-UHFFFAOYSA-N 1 2 267.310 2.585 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2cccs2)c1[N+](=O)[O-] ZINC000595293085 349593366 /nfs/dbraw/zinc/59/33/66/349593366.db2.gz XZWZFHBSAGCFBI-UHFFFAOYSA-N 1 2 267.310 2.585 20 5 CFBDLO Cc1noc(C[NH+]2CCC(OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595344837 349606217 /nfs/dbraw/zinc/60/62/17/349606217.db2.gz NSFKIMNQJYSKRM-UHFFFAOYSA-N 1 2 297.355 2.671 20 5 CFBDLO Cc1noc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595392592 349615276 /nfs/dbraw/zinc/61/52/76/349615276.db2.gz IZTZICQFZNFZJX-UHFFFAOYSA-N 1 2 291.229 2.586 20 5 CFBDLO Cc1noc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595392592 349615278 /nfs/dbraw/zinc/61/52/78/349615278.db2.gz IZTZICQFZNFZJX-UHFFFAOYSA-N 1 2 291.229 2.586 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595398840 349615984 /nfs/dbraw/zinc/61/59/84/349615984.db2.gz DARRLDHDXQDRAH-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595422836 349620400 /nfs/dbraw/zinc/62/04/00/349620400.db2.gz PLZFHJVBBFBBCV-AWEZNQCLSA-N 1 2 282.315 2.591 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595422836 349620402 /nfs/dbraw/zinc/62/04/02/349620402.db2.gz PLZFHJVBBFBBCV-AWEZNQCLSA-N 1 2 282.315 2.591 20 5 CFBDLO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1c(C)noc1C ZINC000595431211 349624255 /nfs/dbraw/zinc/62/42/55/349624255.db2.gz MXVQEIVTXSQZMC-JTQLQIEISA-N 1 2 294.311 2.737 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000595557587 349659054 /nfs/dbraw/zinc/65/90/54/349659054.db2.gz KSPAGTGFDLOPQD-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000595557587 349659056 /nfs/dbraw/zinc/65/90/56/349659056.db2.gz KSPAGTGFDLOPQD-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000125825913 187202119 /nfs/dbraw/zinc/20/21/19/187202119.db2.gz YSUOGCGRUPEWCW-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO Cc1ncccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338390 282194376 /nfs/dbraw/zinc/19/43/76/282194376.db2.gz MJBKZWHSHHDYDT-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ncccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338390 282194378 /nfs/dbraw/zinc/19/43/78/282194378.db2.gz MJBKZWHSHHDYDT-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000595810644 349737736 /nfs/dbraw/zinc/73/77/36/349737736.db2.gz MJWBNTBADKQGSB-IUCAKERBSA-N 1 2 268.263 2.715 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000595810644 349737738 /nfs/dbraw/zinc/73/77/38/349737738.db2.gz MJWBNTBADKQGSB-IUCAKERBSA-N 1 2 268.263 2.715 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nccnc2C1 ZINC000595862497 349757915 /nfs/dbraw/zinc/75/79/15/349757915.db2.gz DOUQRIGJZUGEGX-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nccnc2C1 ZINC000595862497 349757918 /nfs/dbraw/zinc/75/79/18/349757918.db2.gz DOUQRIGJZUGEGX-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596166538 349815250 /nfs/dbraw/zinc/81/52/50/349815250.db2.gz UXLMRUQTDPPDTL-UHFFFAOYSA-N 1 2 280.353 2.688 20 5 CFBDLO COc1cc[nH+]cc1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596241113 349836979 /nfs/dbraw/zinc/83/69/79/349836979.db2.gz CPRFQABLAMRDLF-UHFFFAOYSA-N 1 2 279.321 2.980 20 5 CFBDLO C[N@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000172979459 530011109 /nfs/dbraw/zinc/01/11/09/530011109.db2.gz REBJKMBZCLVTMB-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO C[N@@H+](Cc1ccncc1)Cc1ccccc1[N+](=O)[O-] ZINC000172979459 530011110 /nfs/dbraw/zinc/01/11/10/530011110.db2.gz REBJKMBZCLVTMB-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)cc1 ZINC000023617903 346253136 /nfs/dbraw/zinc/25/31/36/346253136.db2.gz HEUUDOCKDYSNCX-UHFFFAOYSA-N 1 2 282.303 2.897 20 5 CFBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])s2)c[nH+]1 ZINC000048999682 346478187 /nfs/dbraw/zinc/47/81/87/346478187.db2.gz QBNUELUXIOAWOO-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000053036746 346536573 /nfs/dbraw/zinc/53/65/73/346536573.db2.gz OBEYOYVJFQWITA-UHFFFAOYSA-N 1 2 252.295 2.848 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000060296283 346661734 /nfs/dbraw/zinc/66/17/34/346661734.db2.gz FQWBWQOMSASERW-UHFFFAOYSA-N 1 2 290.298 2.772 20 5 CFBDLO COc1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111049131 347752271 /nfs/dbraw/zinc/75/22/71/347752271.db2.gz WGAKIBPJWBFLED-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3C[C@H]4CC[C@@H]3O4)c2c1 ZINC000413133209 233023181 /nfs/dbraw/zinc/02/31/81/233023181.db2.gz CPQPYYBAEAEMLP-BNOWGMLFSA-N 1 2 285.303 2.875 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CC[C@H](O)C3)c2c1 ZINC000413260131 233042901 /nfs/dbraw/zinc/04/29/01/233042901.db2.gz IXPDTPGNNDOOAA-GWCFXTLKSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CC[C@@H](O)C3)c2c1 ZINC000413260133 233043010 /nfs/dbraw/zinc/04/30/10/233043010.db2.gz IXPDTPGNNDOOAA-GXFFZTMASA-N 1 2 287.319 2.716 20 5 CFBDLO CCO[C@H]1C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591159142 348994678 /nfs/dbraw/zinc/99/46/78/348994678.db2.gz NTSWGNIZMYVLEV-STQMWFEESA-N 1 2 273.292 2.732 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593063797 349199110 /nfs/dbraw/zinc/19/91/10/349199110.db2.gz NURJUDLIWVANGB-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593063797 349199111 /nfs/dbraw/zinc/19/91/11/349199111.db2.gz NURJUDLIWVANGB-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092513 349207081 /nfs/dbraw/zinc/20/70/81/349207081.db2.gz OVWCAURMPGADLC-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092513 349207082 /nfs/dbraw/zinc/20/70/82/349207082.db2.gz OVWCAURMPGADLC-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1CCCc1[nH]c2ccccc2[nH+]1 ZINC000593423171 349266503 /nfs/dbraw/zinc/26/65/03/349266503.db2.gz BLLVKDUZIQPDMN-UHFFFAOYSA-N 1 2 285.307 2.609 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593665415 349306893 /nfs/dbraw/zinc/30/68/93/349306893.db2.gz CFGSNMIXKOTTSI-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593665415 349306897 /nfs/dbraw/zinc/30/68/97/349306897.db2.gz CFGSNMIXKOTTSI-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040522 349359794 /nfs/dbraw/zinc/35/97/94/349359794.db2.gz GNBZMXBXPRPJLQ-HIFRSBDPSA-N 1 2 294.351 2.738 20 5 CFBDLO Cc1nccnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000598638561 350298909 /nfs/dbraw/zinc/29/89/09/350298909.db2.gz NUQYSAVUZIWIMK-SNVBAGLBSA-N 1 2 272.308 2.544 20 5 CFBDLO CN(CC1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599023666 350360526 /nfs/dbraw/zinc/36/05/26/350360526.db2.gz JETPACPOUVZUCQ-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H]2CCC[C@@H]2O)ccc2c[nH+]ccc21 ZINC000599051566 350367000 /nfs/dbraw/zinc/36/70/00/350367000.db2.gz IDYRKGXARGOCDT-RISCZKNCSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1=O ZINC000599070698 350369945 /nfs/dbraw/zinc/36/99/45/350369945.db2.gz NTBGMKHDNRFUKR-SNVBAGLBSA-N 1 2 285.303 2.558 20 5 CFBDLO C[C@@H]1[C@@H](C)CN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599087098 350374058 /nfs/dbraw/zinc/37/40/58/350374058.db2.gz TWFINIUWLZVJKB-VHSXEESVSA-N 1 2 257.293 2.988 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2COC[C@@H]2C1 ZINC000599110347 350377392 /nfs/dbraw/zinc/37/73/92/350377392.db2.gz RPQPOXNHJPSGAP-STQMWFEESA-N 1 2 299.330 2.616 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641003 350470885 /nfs/dbraw/zinc/47/08/85/350470885.db2.gz GJOSFRQGVXPHTE-RISCZKNCSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641003 350470891 /nfs/dbraw/zinc/47/08/91/350470891.db2.gz GJOSFRQGVXPHTE-RISCZKNCSA-N 1 2 282.315 2.716 20 5 CFBDLO CCC(C)(C)OC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000600187851 350534919 /nfs/dbraw/zinc/53/49/19/350534919.db2.gz KRWSZBKYBIHOAS-UHFFFAOYSA-N 1 2 278.352 2.984 20 5 CFBDLO O=[N+]([O-])c1ccc(OCCSCCn2cc[nH+]c2)cc1 ZINC000600572188 350573707 /nfs/dbraw/zinc/57/37/07/350573707.db2.gz XEQQMUKMVAXXDU-UHFFFAOYSA-N 1 2 293.348 2.604 20 5 CFBDLO Cc1ncc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000601149202 350682156 /nfs/dbraw/zinc/68/21/56/350682156.db2.gz GSPFBBZRVKWZDQ-QMMMGPOBSA-N 1 2 293.348 2.916 20 5 CFBDLO C[C@H](c1cccs1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441416 350883893 /nfs/dbraw/zinc/88/38/93/350883893.db2.gz FWZOKLDJEXHPEY-SECBINFHSA-N 1 2 280.353 2.583 20 5 CFBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441416 350883896 /nfs/dbraw/zinc/88/38/96/350883896.db2.gz FWZOKLDJEXHPEY-SECBINFHSA-N 1 2 280.353 2.583 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2ccns2)cc1[N+](=O)[O-] ZINC000602457291 350890734 /nfs/dbraw/zinc/89/07/34/350890734.db2.gz DYCHJLGVODDWRC-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2ccns2)cc1[N+](=O)[O-] ZINC000602457291 350890736 /nfs/dbraw/zinc/89/07/36/350890736.db2.gz DYCHJLGVODDWRC-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO Cc1ncc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000602958504 351072627 /nfs/dbraw/zinc/07/26/27/351072627.db2.gz XXDXLPQGILFPCI-ZCFIWIBFSA-N 1 2 282.325 2.507 20 5 CFBDLO Cc1cc(N2CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508412 351216157 /nfs/dbraw/zinc/21/61/57/351216157.db2.gz ZNCSQFKFQKMTJA-NSHDSACASA-N 1 2 284.319 2.959 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cs1 ZINC000609157304 351489954 /nfs/dbraw/zinc/48/99/54/351489954.db2.gz CFUAMQXLRPMIEP-LBPRGKRZSA-N 1 2 292.364 2.690 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cs1 ZINC000609157304 351489957 /nfs/dbraw/zinc/48/99/57/351489957.db2.gz CFUAMQXLRPMIEP-LBPRGKRZSA-N 1 2 292.364 2.690 20 5 CFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000611474092 351695319 /nfs/dbraw/zinc/69/53/19/351695319.db2.gz GXIYWQBZISTRPD-SNVBAGLBSA-N 1 2 291.307 2.832 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501497 351698002 /nfs/dbraw/zinc/69/80/02/351698002.db2.gz CZRMDESQXRVBLV-PWSUYJOCSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501497 351698003 /nfs/dbraw/zinc/69/80/03/351698003.db2.gz CZRMDESQXRVBLV-PWSUYJOCSA-N 1 2 252.289 2.775 20 5 CFBDLO CCc1nc(C)c(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000291889288 198097360 /nfs/dbraw/zinc/09/73/60/198097360.db2.gz YEXJAXQDNOHXML-UHFFFAOYSA-N 1 2 281.337 2.805 20 5 CFBDLO COc1cc(C[N@@H+]2CCC23CCC3)c([N+](=O)[O-])cc1F ZINC000613380822 351948842 /nfs/dbraw/zinc/94/88/42/351948842.db2.gz MDUSCLVFGVVUGN-UHFFFAOYSA-N 1 2 280.299 2.871 20 5 CFBDLO COc1cc(C[N@H+]2CCC23CCC3)c([N+](=O)[O-])cc1F ZINC000613380822 351948847 /nfs/dbraw/zinc/94/88/47/351948847.db2.gz MDUSCLVFGVVUGN-UHFFFAOYSA-N 1 2 280.299 2.871 20 5 CFBDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473067 191158079 /nfs/dbraw/zinc/15/80/79/191158079.db2.gz JHQUQCRKUALLSS-LLVKDONJSA-N 1 2 274.324 2.786 20 5 CFBDLO CC(C)c1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180412587 189253911 /nfs/dbraw/zinc/25/39/11/189253911.db2.gz HCHPTYWHUZXRES-SNVBAGLBSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1NCCCNc1cccc[nH+]1 ZINC000180981559 189285479 /nfs/dbraw/zinc/28/54/79/189285479.db2.gz BWFYOCWRUUCTNK-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301647711 201114409 /nfs/dbraw/zinc/11/44/09/201114409.db2.gz QIDXSBFUTXBIBB-ZDUSSCGKSA-N 1 2 285.303 2.648 20 5 CFBDLO O=[N+]([O-])c1ccc(CCNc2cc[nH+]c3ccncc23)cc1 ZINC000444106710 241114395 /nfs/dbraw/zinc/11/43/95/241114395.db2.gz GZALJCPIVHYTIN-UHFFFAOYSA-N 1 2 294.314 2.615 20 5 CFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449562087 242031690 /nfs/dbraw/zinc/03/16/90/242031690.db2.gz GRRQXTFFXFUXIT-SECBINFHSA-N 1 2 280.353 2.724 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456855659 244307508 /nfs/dbraw/zinc/30/75/08/244307508.db2.gz ZZIBRAOBFKFSIS-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc[nH+]1 ZINC000017820656 372136051 /nfs/dbraw/zinc/13/60/51/372136051.db2.gz NCKRDBKBMHAYLP-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000029584411 372382978 /nfs/dbraw/zinc/38/29/78/372382978.db2.gz NGCHXPMHGHUTQA-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1NCCn1cc[nH+]c1 ZINC000041063100 372807336 /nfs/dbraw/zinc/80/73/36/372807336.db2.gz XFORIFBXJIGILF-UHFFFAOYSA-N 1 2 266.688 2.557 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000048436819 373183048 /nfs/dbraw/zinc/18/30/48/373183048.db2.gz HGZDKIHICSOMFM-UHFFFAOYSA-N 1 2 282.303 2.532 20 5 CFBDLO CCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000049591308 373313325 /nfs/dbraw/zinc/31/33/25/373313325.db2.gz GEFRMJSNMWGFSI-UHFFFAOYSA-N 1 2 277.349 2.904 20 5 CFBDLO Cc1ncsc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000066564672 373939777 /nfs/dbraw/zinc/93/97/77/373939777.db2.gz NBMSDSUGBZIXFH-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ncsc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000066564672 373939783 /nfs/dbraw/zinc/93/97/83/373939783.db2.gz NBMSDSUGBZIXFH-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491844966 246097321 /nfs/dbraw/zinc/09/73/21/246097321.db2.gz KTAYHRVHVDXIDJ-VOTSOKGWSA-N 1 2 297.314 2.626 20 5 CFBDLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000492192983 246216892 /nfs/dbraw/zinc/21/68/92/246216892.db2.gz LHDUVUWWHRFSQF-UHFFFAOYSA-N 1 2 286.335 2.718 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]c(C2CC2)n1 ZINC000264641913 190125207 /nfs/dbraw/zinc/12/52/07/190125207.db2.gz MXPDLWXRODKYNA-UHFFFAOYSA-N 1 2 299.334 2.786 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665401 378154427 /nfs/dbraw/zinc/15/44/27/378154427.db2.gz YAXVDOJHGNAFSO-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665401 378154432 /nfs/dbraw/zinc/15/44/32/378154432.db2.gz YAXVDOJHGNAFSO-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1ccc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000135985617 378174044 /nfs/dbraw/zinc/17/40/44/378174044.db2.gz ZQTUOAUUDIHALM-UHFFFAOYSA-N 1 2 272.308 2.517 20 5 CFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1[nH]cc[nH+]1 ZINC000140683039 378240407 /nfs/dbraw/zinc/24/04/07/378240407.db2.gz ZTJYPZHGYXCLET-LLVKDONJSA-N 1 2 288.307 2.507 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330536494 378580730 /nfs/dbraw/zinc/58/07/30/378580730.db2.gz VRXDBUXWIXHPFH-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330536494 378580732 /nfs/dbraw/zinc/58/07/32/378580732.db2.gz VRXDBUXWIXHPFH-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO C[C@@H]1[N@H+](Cc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330598146 378589512 /nfs/dbraw/zinc/58/95/12/378589512.db2.gz AZDADLKSYBKFIO-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1[N@@H+](Cc2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000330598146 378589516 /nfs/dbraw/zinc/58/95/16/378589516.db2.gz AZDADLKSYBKFIO-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cncnc2C1 ZINC000332499100 378771580 /nfs/dbraw/zinc/77/15/80/378771580.db2.gz FVIUYUGELJEXKQ-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cncnc2C1 ZINC000332499100 378771584 /nfs/dbraw/zinc/77/15/84/378771584.db2.gz FVIUYUGELJEXKQ-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084251 190301995 /nfs/dbraw/zinc/30/19/95/190301995.db2.gz YTPDSVPAUFNZJX-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084251 190301996 /nfs/dbraw/zinc/30/19/96/190301996.db2.gz YTPDSVPAUFNZJX-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208571 190386472 /nfs/dbraw/zinc/38/64/72/190386472.db2.gz SWCAZDIWCZBXLJ-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208571 190386473 /nfs/dbraw/zinc/38/64/73/190386473.db2.gz SWCAZDIWCZBXLJ-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000179831966 380584039 /nfs/dbraw/zinc/58/40/39/380584039.db2.gz YOIZPUVZOHWYGD-UHFFFAOYSA-N 1 2 286.291 2.620 20 5 CFBDLO COc1ccc(OCc2c[nH+]ccc2OC)c([N+](=O)[O-])c1 ZINC000341351814 380958836 /nfs/dbraw/zinc/95/88/36/380958836.db2.gz YPUCQGFFNGYOGT-UHFFFAOYSA-N 1 2 290.275 2.586 20 5 CFBDLO COc1cc[nH+]cc1COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341368001 380969806 /nfs/dbraw/zinc/96/98/06/380969806.db2.gz TXWRXPRAICEIBG-UHFFFAOYSA-N 1 2 289.291 2.589 20 5 CFBDLO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])cc1C ZINC000295682995 381015227 /nfs/dbraw/zinc/01/52/27/381015227.db2.gz HJGCQTFQCDQTQJ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCc2[nH+]cccc2C)c1 ZINC000295756827 381057775 /nfs/dbraw/zinc/05/77/75/381057775.db2.gz OLJQBPHFJBRDEI-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO COc1cc(C[NH2+][C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000411877007 381043807 /nfs/dbraw/zinc/04/38/07/381043807.db2.gz CBJQBJRJVVFXSS-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000347600237 381247399 /nfs/dbraw/zinc/24/73/99/381247399.db2.gz LNQRAUNUBCTDEB-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290888007 381586238 /nfs/dbraw/zinc/58/62/38/381586238.db2.gz CMVSAAGVEFUDAM-JTQLQIEISA-N 1 2 278.287 2.739 20 5 CFBDLO Cc1cc(NCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000359849981 381639682 /nfs/dbraw/zinc/63/96/82/381639682.db2.gz YUWPJIKSSCUECX-UHFFFAOYSA-N 1 2 290.298 2.961 20 5 CFBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000375591355 382093022 /nfs/dbraw/zinc/09/30/22/382093022.db2.gz MUTDVELTTMKCOG-NSHDSACASA-N 1 2 290.348 2.650 20 5 CFBDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000375591355 382093026 /nfs/dbraw/zinc/09/30/26/382093026.db2.gz MUTDVELTTMKCOG-NSHDSACASA-N 1 2 290.348 2.650 20 5 CFBDLO Cc1ccnc(NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000301273990 382131366 /nfs/dbraw/zinc/13/13/66/382131366.db2.gz IJMDOORJDRQDQU-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000357589388 382241014 /nfs/dbraw/zinc/24/10/14/382241014.db2.gz BEJDVBYYQAPDNB-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO Cc1cccc(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000302480944 382255727 /nfs/dbraw/zinc/25/57/27/382255727.db2.gz GLOGRSDFLZWLCQ-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Nc1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])c[nH+]1 ZINC000302777436 382316571 /nfs/dbraw/zinc/31/65/71/382316571.db2.gz PLOVVCQSBLHXLK-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]23CCOC3)c(F)c1 ZINC000352376615 382297311 /nfs/dbraw/zinc/29/73/11/382297311.db2.gz SNAUTJMBYIIXDM-AWEZNQCLSA-N 1 2 298.289 2.628 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@]23CCOC3)c(F)c1 ZINC000352376615 382297313 /nfs/dbraw/zinc/29/73/13/382297313.db2.gz SNAUTJMBYIIXDM-AWEZNQCLSA-N 1 2 298.289 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294026682 382383507 /nfs/dbraw/zinc/38/35/07/382383507.db2.gz NVIGRRWQEKSSIA-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294026682 382383512 /nfs/dbraw/zinc/38/35/12/382383512.db2.gz NVIGRRWQEKSSIA-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO C[N@H+](Cc1cncc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000346850908 382544016 /nfs/dbraw/zinc/54/40/16/382544016.db2.gz SMAREADAWJTVGT-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1cncc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000346850908 382544021 /nfs/dbraw/zinc/54/40/21/382544021.db2.gz SMAREADAWJTVGT-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO Cc1cncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000189760594 382639926 /nfs/dbraw/zinc/63/99/26/382639926.db2.gz ARSXELJCMRDMLY-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000189760594 382639927 /nfs/dbraw/zinc/63/99/27/382639927.db2.gz ARSXELJCMRDMLY-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1c([C@@H](C)[NH2+]Cc2ncccn2)cccc1[N+](=O)[O-] ZINC000577388147 382857512 /nfs/dbraw/zinc/85/75/12/382857512.db2.gz AZFCYRKYZVLIRN-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO CCc1cnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000230706369 382862616 /nfs/dbraw/zinc/86/26/16/382862616.db2.gz DMXPWZHDQXOQEZ-UHFFFAOYSA-N 1 2 283.378 2.965 20 5 CFBDLO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000231868316 382867532 /nfs/dbraw/zinc/86/75/32/382867532.db2.gz HCUNDXFZSDOXPG-UHFFFAOYSA-N 1 2 258.281 2.614 20 5 CFBDLO C[C@H](c1ccco1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000440905139 382887997 /nfs/dbraw/zinc/88/79/97/382887997.db2.gz OWRTVXCITZYMFR-SNVBAGLBSA-N 1 2 290.323 2.647 20 5 CFBDLO C[C@H](c1ccco1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000440905139 382888002 /nfs/dbraw/zinc/88/80/02/382888002.db2.gz OWRTVXCITZYMFR-SNVBAGLBSA-N 1 2 290.323 2.647 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000245517180 383004827 /nfs/dbraw/zinc/00/48/27/383004827.db2.gz GSBNKRVGIWKSDF-NWDGAFQWSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000245517180 383004830 /nfs/dbraw/zinc/00/48/30/383004830.db2.gz GSBNKRVGIWKSDF-NWDGAFQWSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245789680 383035549 /nfs/dbraw/zinc/03/55/49/383035549.db2.gz VXROHZMLUUDJDR-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245789680 383035555 /nfs/dbraw/zinc/03/55/55/383035555.db2.gz VXROHZMLUUDJDR-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000339099676 383149460 /nfs/dbraw/zinc/14/94/60/383149460.db2.gz NZXZNXDTKLWMIE-MFKMUULPSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000339099676 383149463 /nfs/dbraw/zinc/14/94/63/383149463.db2.gz NZXZNXDTKLWMIE-MFKMUULPSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC12CCC2 ZINC000339130694 383160159 /nfs/dbraw/zinc/16/01/59/383160159.db2.gz ZTEFROPBAYHBAJ-UHFFFAOYSA-N 1 2 262.309 2.819 20 5 CFBDLO CC1=C[C@H](C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339157524 383170094 /nfs/dbraw/zinc/17/00/94/383170094.db2.gz ZVGGUEPZTZKKQT-JTQLQIEISA-N 1 2 262.309 2.698 20 5 CFBDLO CC1=C[C@H](C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339157524 383170099 /nfs/dbraw/zinc/17/00/99/383170099.db2.gz ZVGGUEPZTZKKQT-JTQLQIEISA-N 1 2 262.309 2.698 20 5 CFBDLO CCO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492697 383330455 /nfs/dbraw/zinc/33/04/55/383330455.db2.gz JWUPWPFBIIZSAB-ABAIWWIYSA-N 1 2 294.351 2.547 20 5 CFBDLO CCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492697 383330459 /nfs/dbraw/zinc/33/04/59/383330459.db2.gz JWUPWPFBIIZSAB-ABAIWWIYSA-N 1 2 294.351 2.547 20 5 CFBDLO Cc1cc(NC[C@@H]2C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489161075 383597845 /nfs/dbraw/zinc/59/78/45/383597845.db2.gz HSCVCVDIKRFQQO-GWCFXTLKSA-N 1 2 298.346 2.850 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438382500 383997195 /nfs/dbraw/zinc/99/71/95/383997195.db2.gz PDDASBNCJMAOKR-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438382500 383997200 /nfs/dbraw/zinc/99/72/00/383997200.db2.gz PDDASBNCJMAOKR-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO Cc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000438532839 384018772 /nfs/dbraw/zinc/01/87/72/384018772.db2.gz PSCXDZMSFKYUSR-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000438532839 384018782 /nfs/dbraw/zinc/01/87/82/384018782.db2.gz PSCXDZMSFKYUSR-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO CCc1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000574662677 384131204 /nfs/dbraw/zinc/13/12/04/384131204.db2.gz DVXVUOKCWHDOND-UHFFFAOYSA-N 1 2 298.346 2.506 20 5 CFBDLO CCc1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000574662677 384131207 /nfs/dbraw/zinc/13/12/07/384131207.db2.gz DVXVUOKCWHDOND-UHFFFAOYSA-N 1 2 298.346 2.506 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1-n1cc[nH+]c1 ZINC000042388710 285081917 /nfs/dbraw/zinc/08/19/17/285081917.db2.gz MCQGWWVXABXQHE-UHFFFAOYSA-N 1 2 268.070 2.543 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000277327569 384269278 /nfs/dbraw/zinc/26/92/78/384269278.db2.gz DWEMTLYIIYJGIC-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000277327569 384269283 /nfs/dbraw/zinc/26/92/83/384269283.db2.gz DWEMTLYIIYJGIC-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694225 384725150 /nfs/dbraw/zinc/72/51/50/384725150.db2.gz GGURWSWFRZSHFA-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000279694225 384725154 /nfs/dbraw/zinc/72/51/54/384725154.db2.gz GGURWSWFRZSHFA-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cs1 ZINC000268856888 384677897 /nfs/dbraw/zinc/67/78/97/384677897.db2.gz RBLGXMJXEZQACJ-SNVBAGLBSA-N 1 2 278.337 2.547 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000269868590 384887495 /nfs/dbraw/zinc/88/74/95/384887495.db2.gz LVWHJFJMZWGYDX-ZDUSSCGKSA-N 1 2 284.319 2.681 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269898917 384897793 /nfs/dbraw/zinc/89/77/93/384897793.db2.gz YGMXYCYMNHZCNO-CYBMUJFWSA-N 1 2 298.346 2.989 20 5 CFBDLO COc1ccc(C[NH2+][C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000271136678 385347225 /nfs/dbraw/zinc/34/72/25/385347225.db2.gz NGTDAQNLOWRPHE-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268266 385451130 /nfs/dbraw/zinc/45/11/30/385451130.db2.gz WMCITOCQFIPKOO-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268266 385451133 /nfs/dbraw/zinc/45/11/33/385451133.db2.gz WMCITOCQFIPKOO-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO C[N@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128289 393741706 /nfs/dbraw/zinc/74/17/06/393741706.db2.gz AQEFVKMFHUQSKA-UHFFFAOYSA-N 1 2 287.275 2.961 20 5 CFBDLO C[N@@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128289 393741711 /nfs/dbraw/zinc/74/17/11/393741711.db2.gz AQEFVKMFHUQSKA-UHFFFAOYSA-N 1 2 287.275 2.961 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339071479 393815406 /nfs/dbraw/zinc/81/54/06/393815406.db2.gz RCFFNQLYNJIEDX-JTQLQIEISA-N 1 2 288.303 2.857 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424323370 393828812 /nfs/dbraw/zinc/82/88/12/393828812.db2.gz MANHBXPJYPFNBX-KGLIPLIRSA-N 1 2 298.346 2.560 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349232407 393965673 /nfs/dbraw/zinc/96/56/73/393965673.db2.gz BWQZWHGIGMCLAR-UWVGGRQHSA-N 1 2 261.281 2.995 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000430195646 393966306 /nfs/dbraw/zinc/96/63/06/393966306.db2.gz OUTGKIXJIPVJOG-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000430195646 393966308 /nfs/dbraw/zinc/96/63/08/393966308.db2.gz OUTGKIXJIPVJOG-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000266231265 393981094 /nfs/dbraw/zinc/98/10/94/393981094.db2.gz JNJHKACWTUXVJM-UHFFFAOYSA-N 1 2 284.319 2.917 20 5 CFBDLO Cc1cnc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000291148298 394237166 /nfs/dbraw/zinc/23/71/66/394237166.db2.gz OTWFBNGHOUHWSR-LLVKDONJSA-N 1 2 275.312 2.831 20 5 CFBDLO COc1cc(C[NH2+]Cc2occc2C)c([N+](=O)[O-])cc1O ZINC000291792556 394260642 /nfs/dbraw/zinc/26/06/42/394260642.db2.gz WKQNDLCTDKVLQI-UHFFFAOYSA-N 1 2 292.291 2.500 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000451119267 394359736 /nfs/dbraw/zinc/35/97/36/394359736.db2.gz ZTBZGAPHOTUNRZ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000451119267 394359737 /nfs/dbraw/zinc/35/97/37/394359737.db2.gz ZTBZGAPHOTUNRZ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548098204 394911179 /nfs/dbraw/zinc/91/11/79/394911179.db2.gz DDXXQQYVQHEGRG-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548098204 394911183 /nfs/dbraw/zinc/91/11/83/394911183.db2.gz DDXXQQYVQHEGRG-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645412 292100646 /nfs/dbraw/zinc/10/06/46/292100646.db2.gz MGTKXIMYPPXCME-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645412 292100647 /nfs/dbraw/zinc/10/06/47/292100647.db2.gz MGTKXIMYPPXCME-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000450833382 292289929 /nfs/dbraw/zinc/28/99/29/292289929.db2.gz SRSDJEIDVAONPR-NXEZZACHSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660629 155057960 /nfs/dbraw/zinc/05/79/60/155057960.db2.gz NWTZBCMUYGBTTB-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660629 155057964 /nfs/dbraw/zinc/05/79/64/155057964.db2.gz NWTZBCMUYGBTTB-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000351878608 163210320 /nfs/dbraw/zinc/21/03/20/163210320.db2.gz DYCFXNLEWRYJAC-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000351878608 163210321 /nfs/dbraw/zinc/21/03/21/163210321.db2.gz DYCFXNLEWRYJAC-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000341872770 287052759 /nfs/dbraw/zinc/05/27/59/287052759.db2.gz FMLDXPZTRFSUMF-MNOVXSKESA-N 1 2 274.324 2.740 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000285172975 196212929 /nfs/dbraw/zinc/21/29/29/196212929.db2.gz MKEKEIQYGOTCNQ-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000285172975 196212931 /nfs/dbraw/zinc/21/29/31/196212931.db2.gz MKEKEIQYGOTCNQ-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000518782833 262048519 /nfs/dbraw/zinc/04/85/19/262048519.db2.gz OCRDDZFCDDBOLD-LLVKDONJSA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000518782833 262048521 /nfs/dbraw/zinc/04/85/21/262048521.db2.gz OCRDDZFCDDBOLD-LLVKDONJSA-N 1 2 298.314 2.546 20 5 CFBDLO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000391884399 265024499 /nfs/dbraw/zinc/02/44/99/265024499.db2.gz XNVJMIGJFCSAFC-GWCFXTLKSA-N 1 2 289.339 2.525 20 5 CFBDLO Cc1cnc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000397120996 270316108 /nfs/dbraw/zinc/31/61/08/270316108.db2.gz SXCKYIFWEXXUBF-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO C[C@H]1C[C@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514683301 270349550 /nfs/dbraw/zinc/34/95/50/270349550.db2.gz RVLKCKGPONSXLT-YUMQZZPRSA-N 1 2 256.252 2.856 20 5 CFBDLO COc1cc(C[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])cc1F ZINC000436268359 277376472 /nfs/dbraw/zinc/37/64/72/277376472.db2.gz GMKOVENJQYXSFU-UHFFFAOYSA-N 1 2 280.299 2.895 20 5 CFBDLO COc1cc(C[N@H+]2CCC=C(C)C2)c([N+](=O)[O-])cc1F ZINC000436268359 277376473 /nfs/dbraw/zinc/37/64/73/277376473.db2.gz GMKOVENJQYXSFU-UHFFFAOYSA-N 1 2 280.299 2.895 20 5 CFBDLO Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)c(C)c(C)[nH+]1 ZINC000301662370 279076137 /nfs/dbraw/zinc/07/61/37/279076137.db2.gz KGNQTJPKYYAYDM-UHFFFAOYSA-N 1 2 298.346 2.873 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000267037818 280364046 /nfs/dbraw/zinc/36/40/46/280364046.db2.gz OEMHKYPXNQQZOB-HUUCEWRRSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000267037818 280364047 /nfs/dbraw/zinc/36/40/47/280364047.db2.gz OEMHKYPXNQQZOB-HUUCEWRRSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](F)[C@@H](F)C3)c2c1 ZINC000413317988 280371261 /nfs/dbraw/zinc/37/12/61/280371261.db2.gz RRAMSVRKZXTTAY-TXEJJXNPSA-N 1 2 279.246 2.639 20 5 CFBDLO Cc1cc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000255163385 281089168 /nfs/dbraw/zinc/08/91/68/281089168.db2.gz PDCURJOCXHEZBI-SREVYHEPSA-N 1 2 283.287 2.950 20 5 CFBDLO Cc1ccnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450827486 281473270 /nfs/dbraw/zinc/47/32/70/281473270.db2.gz IADIZCRIHBSROA-VHSXEESVSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)C(C)(C)C1 ZINC000565636681 290314128 /nfs/dbraw/zinc/31/41/28/290314128.db2.gz NBJBBHBCUAAAND-GFCCVEGCSA-N 1 2 277.368 2.682 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)C(C)(C)C1 ZINC000565636681 290314129 /nfs/dbraw/zinc/31/41/29/290314129.db2.gz NBJBBHBCUAAAND-GFCCVEGCSA-N 1 2 277.368 2.682 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000582452915 325206257 /nfs/dbraw/zinc/20/62/57/325206257.db2.gz KVMFROMMCHXBRS-UHFFFAOYSA-N 1 2 260.215 2.589 20 5 CFBDLO Cc1ccc(CCNc2nc(C)ccc2[N+](=O)[O-])[nH+]c1 ZINC000413354041 533809267 /nfs/dbraw/zinc/80/92/67/533809267.db2.gz QDTPMISAIYQIMF-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000414366488 533902927 /nfs/dbraw/zinc/90/29/27/533902927.db2.gz CBEICKKSGJXOHW-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000414366488 533902932 /nfs/dbraw/zinc/90/29/32/533902932.db2.gz CBEICKKSGJXOHW-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000065542992 520768872 /nfs/dbraw/zinc/76/88/72/520768872.db2.gz NPZWHQDYTYIRBZ-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000065542992 520768878 /nfs/dbraw/zinc/76/88/78/520768878.db2.gz NPZWHQDYTYIRBZ-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361589622 521277725 /nfs/dbraw/zinc/27/77/25/521277725.db2.gz QCIXCHMLJMBIBG-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361589622 521277734 /nfs/dbraw/zinc/27/77/34/521277734.db2.gz QCIXCHMLJMBIBG-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CCc1cc(NCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000052942793 523823179 /nfs/dbraw/zinc/82/31/79/523823179.db2.gz MVPXMVCVTLOVCE-UHFFFAOYSA-N 1 2 258.281 2.559 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](C4CC4)C3)c2c1 ZINC000413242798 534884870 /nfs/dbraw/zinc/88/48/70/534884870.db2.gz ZNGLORGHJJWGPG-HNNXBMFYSA-N 1 2 299.330 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](C4CC4)C3)c2c1 ZINC000413242799 534885262 /nfs/dbraw/zinc/88/52/62/534885262.db2.gz ZNGLORGHJJWGPG-OAHLLOKOSA-N 1 2 299.330 2.758 20 5 CFBDLO CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000413279463 529127306 /nfs/dbraw/zinc/12/73/06/529127306.db2.gz GQYREPUXTBDAEN-JTQLQIEISA-N 1 2 279.275 2.661 20 5 CFBDLO COC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449768215 536525065 /nfs/dbraw/zinc/52/50/65/536525065.db2.gz AHJZJMGCMXZHBN-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO COC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449768215 536525075 /nfs/dbraw/zinc/52/50/75/536525075.db2.gz AHJZJMGCMXZHBN-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745089261 574100864 /nfs/dbraw/zinc/10/08/64/574100864.db2.gz QNTICHDBQZIUMJ-NSHDSACASA-N 1 2 298.364 2.574 20 5 CFBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745089261 574100866 /nfs/dbraw/zinc/10/08/66/574100866.db2.gz QNTICHDBQZIUMJ-NSHDSACASA-N 1 2 298.364 2.574 20 5 CFBDLO CCn1cc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000733796153 574257960 /nfs/dbraw/zinc/25/79/60/574257960.db2.gz QUKSVMQIDNYFBX-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO CCn1cc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000733796153 574257964 /nfs/dbraw/zinc/25/79/64/574257964.db2.gz QUKSVMQIDNYFBX-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO Cc1[nH]c([C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)[nH+]c1C ZINC000895194569 618459677 /nfs/dbraw/zinc/45/96/77/618459677.db2.gz ZKSGYEVKYXUHAH-VIFPVBQESA-N 1 2 293.352 2.733 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000902996494 621223522 /nfs/dbraw/zinc/22/35/22/621223522.db2.gz SOSYRTKHSUASKG-GFCCVEGCSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000902996494 621223524 /nfs/dbraw/zinc/22/35/24/621223524.db2.gz SOSYRTKHSUASKG-GFCCVEGCSA-N 1 2 282.315 2.927 20 5 CFBDLO C[N@H+](CCc1ccc(Cl)cc1)Cn1nccc1[N+](=O)[O-] ZINC000172068075 623256956 /nfs/dbraw/zinc/25/69/56/623256956.db2.gz SFZJXDJAVGHOQD-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@@H+](CCc1ccc(Cl)cc1)Cn1nccc1[N+](=O)[O-] ZINC000172068075 623256965 /nfs/dbraw/zinc/25/69/65/623256965.db2.gz SFZJXDJAVGHOQD-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO CC(C)[N@@H+](Cc1cccc(F)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919954206 624647815 /nfs/dbraw/zinc/64/78/15/624647815.db2.gz SNZFLBZVWLFOLT-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC(C)[N@H+](Cc1cccc(F)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000919954206 624647823 /nfs/dbraw/zinc/64/78/23/624647823.db2.gz SNZFLBZVWLFOLT-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000922538833 626304403 /nfs/dbraw/zinc/30/44/03/626304403.db2.gz XBDBAMMTTWNEMS-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839140827 626528625 /nfs/dbraw/zinc/52/86/25/626528625.db2.gz ISHGVHRNTLUESZ-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000762051387 626884204 /nfs/dbraw/zinc/88/42/04/626884204.db2.gz VEWLUPJBSDFXJE-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000762051387 626884205 /nfs/dbraw/zinc/88/42/05/626884205.db2.gz VEWLUPJBSDFXJE-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000766421959 627201619 /nfs/dbraw/zinc/20/16/19/627201619.db2.gz XVUNVVVYJSUPDB-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1[N+](=O)[O-] ZINC000768107731 627315219 /nfs/dbraw/zinc/31/52/19/627315219.db2.gz MUOIOXUKCHCXMQ-JTQLQIEISA-N 1 2 291.307 2.832 20 5 CFBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000791055803 629284707 /nfs/dbraw/zinc/28/47/07/629284707.db2.gz YOXBBPWJCAETQU-JTQLQIEISA-N 1 2 271.386 2.844 20 5 CFBDLO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000791055803 629284712 /nfs/dbraw/zinc/28/47/12/629284712.db2.gz YOXBBPWJCAETQU-JTQLQIEISA-N 1 2 271.386 2.844 20 5 CFBDLO O=[N+]([O-])CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000791055350 629284949 /nfs/dbraw/zinc/28/49/49/629284949.db2.gz SIHDZHCTSSYOPD-JTQLQIEISA-N 1 2 280.221 2.686 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CC(n2cc[nH+]c2)C1 ZINC000804545870 630692027 /nfs/dbraw/zinc/69/20/27/630692027.db2.gz GITIEUOAQOKXGC-UHFFFAOYSA-N 1 2 278.699 2.506 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000080301087 650661736 /nfs/dbraw/zinc/66/17/36/650661736.db2.gz BCYLJRARCKGBMD-UHFFFAOYSA-N 1 2 296.396 2.501 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000080301087 650661739 /nfs/dbraw/zinc/66/17/39/650661739.db2.gz BCYLJRARCKGBMD-UHFFFAOYSA-N 1 2 296.396 2.501 20 5 CFBDLO C[C@H]([NH2+]C1COC(C)(C)OC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062411 641594017 /nfs/dbraw/zinc/59/40/17/641594017.db2.gz MNBPVUKJXUXINS-VIFPVBQESA-N 1 2 298.314 2.536 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876742482 642989879 /nfs/dbraw/zinc/98/98/79/642989879.db2.gz PRSAGZQNCXBTPR-BETUJISGSA-N 1 2 276.336 2.575 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876742482 642989882 /nfs/dbraw/zinc/98/98/82/642989882.db2.gz PRSAGZQNCXBTPR-BETUJISGSA-N 1 2 276.336 2.575 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880597133 644783168 /nfs/dbraw/zinc/78/31/68/644783168.db2.gz ONZOSZPZJHJZDI-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880597133 644783171 /nfs/dbraw/zinc/78/31/71/644783171.db2.gz ONZOSZPZJHJZDI-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(C2CC2)CCC1 ZINC000886391952 646994928 /nfs/dbraw/zinc/99/49/28/646994928.db2.gz IMCHIALGRGZIBW-UHFFFAOYSA-N 1 2 262.309 2.723 20 5 CFBDLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924799861 648050043 /nfs/dbraw/zinc/05/00/43/648050043.db2.gz VMNVZVNOJPTZLJ-BDAKNGLRSA-N 1 2 276.296 2.698 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000930846222 649335055 /nfs/dbraw/zinc/33/50/55/649335055.db2.gz XXBIWIHPPZCWAH-UHFFFAOYSA-N 1 2 272.304 2.581 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000930846222 649335059 /nfs/dbraw/zinc/33/50/59/649335059.db2.gz XXBIWIHPPZCWAH-UHFFFAOYSA-N 1 2 272.304 2.581 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934699347 649816629 /nfs/dbraw/zinc/81/66/29/649816629.db2.gz VWNFBXOZZXHYRF-INIZCTEOSA-N 1 2 299.330 2.936 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934699348 649816753 /nfs/dbraw/zinc/81/67/53/649816753.db2.gz VWNFBXOZZXHYRF-MRXNPFEDSA-N 1 2 299.330 2.936 20 5 CFBDLO O=[N+]([O-])c1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001204416526 769850058 /nfs/dbraw/zinc/85/00/58/769850058.db2.gz VVPWEEMAQRIVMK-UHFFFAOYSA-N 1 2 254.249 2.986 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225794863 775596076 /nfs/dbraw/zinc/59/60/76/775596076.db2.gz WYSCKZOLFLNTJO-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595316141 349600652 /nfs/dbraw/zinc/60/06/52/349600652.db2.gz CNGGDWJDVHZXOW-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595316141 349600656 /nfs/dbraw/zinc/60/06/56/349600656.db2.gz CNGGDWJDVHZXOW-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000595293955 349593529 /nfs/dbraw/zinc/59/35/29/349593529.db2.gz VLIKTVZCZNTKKU-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000595293955 349593534 /nfs/dbraw/zinc/59/35/34/349593534.db2.gz VLIKTVZCZNTKKU-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400892 349617308 /nfs/dbraw/zinc/61/73/08/349617308.db2.gz QMDUZYSXWZMJIX-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400892 349617310 /nfs/dbraw/zinc/61/73/10/349617310.db2.gz QMDUZYSXWZMJIX-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1noc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000595428721 349623648 /nfs/dbraw/zinc/62/36/48/349623648.db2.gz JMFLZMXHRMZCHY-VIFPVBQESA-N 1 2 293.327 2.519 20 5 CFBDLO CCOc1cccc(NCc2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000294974206 199277596 /nfs/dbraw/zinc/27/75/96/199277596.db2.gz LFHNPLMODZVWKW-UHFFFAOYSA-N 1 2 290.323 2.822 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000595427537 349622582 /nfs/dbraw/zinc/62/25/82/349622582.db2.gz ZJUYNFWEVXBUQX-NXEZZACHSA-N 1 2 289.339 2.687 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000442886851 529532211 /nfs/dbraw/zinc/53/22/11/529532211.db2.gz UVSCSSIHMVTDMT-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000442886851 529532212 /nfs/dbraw/zinc/53/22/12/529532212.db2.gz UVSCSSIHMVTDMT-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595676932 349696649 /nfs/dbraw/zinc/69/66/49/349696649.db2.gz WGQPQQLDBQIEIH-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595676932 349696650 /nfs/dbraw/zinc/69/66/50/349696650.db2.gz WGQPQQLDBQIEIH-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595711778 349713770 /nfs/dbraw/zinc/71/37/70/349713770.db2.gz DDNWLZLSBOSCIQ-UTUOFQBUSA-N 1 2 276.336 2.813 20 5 CFBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596078921 349789242 /nfs/dbraw/zinc/78/92/42/349789242.db2.gz FJRBJSHZMAXVNP-QMMMGPOBSA-N 1 2 266.326 2.662 20 5 CFBDLO CC[C@H](O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413169212 529686908 /nfs/dbraw/zinc/68/69/08/529686908.db2.gz XTJLVGHSODFRIA-ZDUSSCGKSA-N 1 2 289.335 2.528 20 5 CFBDLO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1[nH]cc[nH+]1 ZINC000596237055 349835668 /nfs/dbraw/zinc/83/56/68/349835668.db2.gz AXVZJTKFVIEDEP-SECBINFHSA-N 1 2 287.323 2.765 20 5 CFBDLO Cc1ccn2cc(CNc3cc(C)c([N+](=O)[O-])cn3)[nH+]c2c1 ZINC000074742446 347029554 /nfs/dbraw/zinc/02/95/54/347029554.db2.gz CBZQAGZOWOKXQA-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000132450858 530006524 /nfs/dbraw/zinc/00/65/24/530006524.db2.gz QMMRAMFVJMFNBE-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000132450858 530006526 /nfs/dbraw/zinc/00/65/26/530006526.db2.gz QMMRAMFVJMFNBE-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000052075590 346512795 /nfs/dbraw/zinc/51/27/95/346512795.db2.gz JWIYUSNVNCIDGH-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1[nH+]ccn1C ZINC000057620375 346632782 /nfs/dbraw/zinc/63/27/82/346632782.db2.gz XPAALSZGFAJBSB-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nccn1C ZINC000057620375 346632786 /nfs/dbraw/zinc/63/27/86/346632786.db2.gz XPAALSZGFAJBSB-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nccn1C ZINC000057620375 346632790 /nfs/dbraw/zinc/63/27/90/346632790.db2.gz XPAALSZGFAJBSB-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO O=[N+]([O-])c1cnccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000066797233 346779626 /nfs/dbraw/zinc/77/96/26/346779626.db2.gz FYEVHOXUGYAWLY-UHFFFAOYSA-N 1 2 297.318 2.911 20 5 CFBDLO Cc1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000080535974 347364793 /nfs/dbraw/zinc/36/47/93/347364793.db2.gz ZLTVYJNFCUVSMB-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000088716707 347508131 /nfs/dbraw/zinc/50/81/31/347508131.db2.gz NERYYTIJAFQWCC-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000092703948 347641953 /nfs/dbraw/zinc/64/19/53/347641953.db2.gz OBERTCVFIZWBPZ-UHFFFAOYSA-N 1 2 276.336 2.921 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000092703948 347641956 /nfs/dbraw/zinc/64/19/56/347641956.db2.gz OBERTCVFIZWBPZ-UHFFFAOYSA-N 1 2 276.336 2.921 20 5 CFBDLO Cc1cccnc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093189032 347663601 /nfs/dbraw/zinc/66/36/01/347663601.db2.gz AEQHIZUVRJKAAL-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccnc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093189032 347663605 /nfs/dbraw/zinc/66/36/05/347663605.db2.gz AEQHIZUVRJKAAL-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000227831134 348191077 /nfs/dbraw/zinc/19/10/77/348191077.db2.gz VWYQCDNXONFSDC-ZCFIWIBFSA-N 1 2 268.223 2.769 20 5 CFBDLO Cc1cccc(CCCNc2cccnc2[N+](=O)[O-])[nH+]1 ZINC000588062714 348769370 /nfs/dbraw/zinc/76/93/70/348769370.db2.gz DKMCYJDFUFMYIF-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000590169291 348882175 /nfs/dbraw/zinc/88/21/75/348882175.db2.gz DBKFJOKJEBMAEA-UHFFFAOYSA-N 1 2 284.262 2.532 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000590969219 348974597 /nfs/dbraw/zinc/97/45/97/348974597.db2.gz QBYVRZWXBVYABW-UHFFFAOYSA-N 1 2 274.242 2.979 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(C(F)F)C1 ZINC000590968821 348974762 /nfs/dbraw/zinc/97/47/62/348974762.db2.gz UNIQDZPNXCXDQD-HWKANZROSA-N 1 2 268.263 2.805 20 5 CFBDLO CCO[C@H]1C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591159140 348995056 /nfs/dbraw/zinc/99/50/56/348995056.db2.gz NTSWGNIZMYVLEV-OLZOCXBDSA-N 1 2 273.292 2.732 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061484 349198713 /nfs/dbraw/zinc/19/87/13/349198713.db2.gz CCHIDBPDSJWILT-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061484 349198716 /nfs/dbraw/zinc/19/87/16/349198716.db2.gz CCHIDBPDSJWILT-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593063798 349199314 /nfs/dbraw/zinc/19/93/14/349199314.db2.gz NURJUDLIWVANGB-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593063798 349199317 /nfs/dbraw/zinc/19/93/17/349199317.db2.gz NURJUDLIWVANGB-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC(CC3CC3)C2)cs1 ZINC000598677450 350308109 /nfs/dbraw/zinc/30/81/09/350308109.db2.gz HOJCDANBRRAXDL-UHFFFAOYSA-N 1 2 252.339 2.888 20 5 CFBDLO CC[C@H](CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599061194 350367969 /nfs/dbraw/zinc/36/79/69/350367969.db2.gz LBMVNOSYVGUVMG-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2CC[C@H](O)CC2)ccc2c[nH+]ccc21 ZINC000599059773 350368210 /nfs/dbraw/zinc/36/82/10/350368210.db2.gz QVJYPXJFOWALOG-HAQNSBGRSA-N 1 2 287.319 2.858 20 5 CFBDLO COC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599021596 350360358 /nfs/dbraw/zinc/36/03/58/350360358.db2.gz BTOQHTODDKYESB-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO COCCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599033949 350362038 /nfs/dbraw/zinc/36/20/38/350362038.db2.gz OTOCDZJSDZYYEG-UHFFFAOYSA-N 1 2 275.308 2.616 20 5 CFBDLO CN(C[C@H]1CCCO1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038787 350363181 /nfs/dbraw/zinc/36/31/81/350363181.db2.gz SJBIWXDDGBFGKB-GFCCVEGCSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@H](O)C[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046752 350364871 /nfs/dbraw/zinc/36/48/71/350364871.db2.gz MKGSYVYCHSSXCU-QWRGUYRKSA-N 1 2 289.335 2.962 20 5 CFBDLO C[C@@H](CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599050746 350365760 /nfs/dbraw/zinc/36/57/60/350365760.db2.gz ARDWCFCNFPYONP-JTQLQIEISA-N 1 2 275.308 2.573 20 5 CFBDLO CC1(C)[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599071982 350370834 /nfs/dbraw/zinc/37/08/34/350370834.db2.gz VUHSXDFTUZXDFZ-OLZOCXBDSA-N 1 2 287.319 2.714 20 5 CFBDLO CC1(C)[C@H](O)C[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071981 350371036 /nfs/dbraw/zinc/37/10/36/350371036.db2.gz VUHSXDFTUZXDFZ-CHWSQXEVSA-N 1 2 287.319 2.714 20 5 CFBDLO C/C=C\C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078737 350371906 /nfs/dbraw/zinc/37/19/06/350371906.db2.gz DTJNBIQNILXYFG-VQTKUKTRSA-N 1 2 286.335 2.583 20 5 CFBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599081770 350372320 /nfs/dbraw/zinc/37/23/20/350372320.db2.gz VEBGZGQUNDXLIS-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)c1 ZINC000599097346 350375025 /nfs/dbraw/zinc/37/50/25/350375025.db2.gz CJLJRIDVJLRPMJ-GFCCVEGCSA-N 1 2 284.319 2.687 20 5 CFBDLO CN(CC1=CCCOC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599106948 350376566 /nfs/dbraw/zinc/37/65/66/350376566.db2.gz JDMRLZWOPDUVDC-UHFFFAOYSA-N 1 2 299.330 2.926 20 5 CFBDLO CO[C@@]1(C)C[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599110644 350377372 /nfs/dbraw/zinc/37/73/72/350377372.db2.gz DYZAQBGCSJPRBP-OCCSQVGLSA-N 1 2 273.292 2.732 20 5 CFBDLO Cc1noc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000599514853 350448871 /nfs/dbraw/zinc/44/88/71/350448871.db2.gz LWFMTWOTPLYHAK-HTQZYQBOSA-N 1 2 289.282 2.614 20 5 CFBDLO Cc1noc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599514854 350449345 /nfs/dbraw/zinc/44/93/45/350449345.db2.gz LWFMTWOTPLYHAK-OCAPTIKFSA-N 1 2 289.282 2.614 20 5 CFBDLO Cc1noc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000599514854 350449348 /nfs/dbraw/zinc/44/93/48/350449348.db2.gz LWFMTWOTPLYHAK-OCAPTIKFSA-N 1 2 289.282 2.614 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641610 350471077 /nfs/dbraw/zinc/47/10/77/350471077.db2.gz JFGKUSFVQQPTAU-NEPJUHHUSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641610 350471081 /nfs/dbraw/zinc/47/10/81/350471081.db2.gz JFGKUSFVQQPTAU-NEPJUHHUSA-N 1 2 282.315 2.716 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000601973547 350821526 /nfs/dbraw/zinc/82/15/26/350821526.db2.gz PVVXAFKRAFTILK-VIFPVBQESA-N 1 2 292.307 2.512 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000601973547 350821528 /nfs/dbraw/zinc/82/15/28/350821528.db2.gz PVVXAFKRAFTILK-VIFPVBQESA-N 1 2 292.307 2.512 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111273049 186385385 /nfs/dbraw/zinc/38/53/85/186385385.db2.gz RQQHDFKSHJBTMS-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111273049 186385387 /nfs/dbraw/zinc/38/53/87/186385387.db2.gz RQQHDFKSHJBTMS-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000602488006 350904112 /nfs/dbraw/zinc/90/41/12/350904112.db2.gz YBTKTRDFONPXRM-RISCZKNCSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000602488006 350904115 /nfs/dbraw/zinc/90/41/15/350904115.db2.gz YBTKTRDFONPXRM-RISCZKNCSA-N 1 2 286.335 2.521 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602897523 351060542 /nfs/dbraw/zinc/06/05/42/351060542.db2.gz KPNOQNIKRSVDDB-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602897523 351060544 /nfs/dbraw/zinc/06/05/44/351060544.db2.gz KPNOQNIKRSVDDB-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO CC1(F)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602993173 351087330 /nfs/dbraw/zinc/08/73/30/351087330.db2.gz SGARWLBTOPNGQW-UHFFFAOYSA-N 1 2 292.314 2.795 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CSC3)c2c1 ZINC000603414049 351159757 /nfs/dbraw/zinc/15/97/57/351159757.db2.gz NOSGWZLXQQVDBJ-UHFFFAOYSA-N 1 2 275.333 2.918 20 5 CFBDLO COCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000603425697 351161747 /nfs/dbraw/zinc/16/17/47/351161747.db2.gz XGCJNWCLVIWMEA-SNVBAGLBSA-N 1 2 291.307 2.580 20 5 CFBDLO CC(C)c1ccc(C[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000609353991 351497811 /nfs/dbraw/zinc/49/78/11/351497811.db2.gz IQVUDIYBVXDFQV-UHFFFAOYSA-N 1 2 275.308 2.996 20 5 CFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1csc([N+](=O)[O-])c1 ZINC000609618953 351512191 /nfs/dbraw/zinc/51/21/91/351512191.db2.gz OFXSNLVJMFPZQQ-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000610410623 351563729 /nfs/dbraw/zinc/56/37/29/351563729.db2.gz LGQULWZFURKQBG-SDDRHHMPSA-N 1 2 262.309 2.519 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000610410623 351563735 /nfs/dbraw/zinc/56/37/35/351563735.db2.gz LGQULWZFURKQBG-SDDRHHMPSA-N 1 2 262.309 2.519 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C\c2c[nH+]c3ccccn23)nc1 ZINC000610648498 351587569 /nfs/dbraw/zinc/58/75/69/351587569.db2.gz PEPPMASKXJGXQW-XQRVVYSFSA-N 1 2 266.260 2.808 20 5 CFBDLO C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000611413610 351686911 /nfs/dbraw/zinc/68/69/11/351686911.db2.gz HYYYKBSYLTVOIE-ZYHUDNBSSA-N 1 2 292.364 2.940 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000611414578 351687471 /nfs/dbraw/zinc/68/74/71/351687471.db2.gz KIGQSVCTSQOVPM-JTQLQIEISA-N 1 2 290.348 2.742 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cocn1 ZINC000611474266 351694655 /nfs/dbraw/zinc/69/46/55/351694655.db2.gz OFKRVXGXBLSDQI-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000619432042 353022431 /nfs/dbraw/zinc/02/24/31/353022431.db2.gz FFUJDNYGNQADPV-UHFFFAOYSA-N 1 2 274.267 2.737 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)(F)CC3)nc2c1 ZINC000619516199 353031488 /nfs/dbraw/zinc/03/14/88/353031488.db2.gz VJXBVXFKAZHXAI-UHFFFAOYSA-N 1 2 296.277 2.702 20 5 CFBDLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])no1 ZINC000292251310 198218717 /nfs/dbraw/zinc/21/87/17/198218717.db2.gz XRTIKBWKRROLSV-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000292303413 198236953 /nfs/dbraw/zinc/23/69/53/198236953.db2.gz AAZCOOFGQXHPPI-JTQLQIEISA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000273633536 192239011 /nfs/dbraw/zinc/23/90/11/192239011.db2.gz SQLPMOJCZHMTNN-VIFPVBQESA-N 1 2 292.364 2.914 20 5 CFBDLO Cc1cc([NH+](C)C)ccc1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000296184298 199810144 /nfs/dbraw/zinc/81/01/44/199810144.db2.gz BDECFTGJHTYNFA-UHFFFAOYSA-N 1 2 287.323 2.811 20 5 CFBDLO Cc1ccnc(NCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301305898 200970380 /nfs/dbraw/zinc/97/03/80/200970380.db2.gz UQCKHOUIRUIUEO-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182411403 189322992 /nfs/dbraw/zinc/32/29/92/189322992.db2.gz XQUGJIHGAJJBOA-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182411403 189322993 /nfs/dbraw/zinc/32/29/93/189322993.db2.gz XQUGJIHGAJJBOA-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000301820157 201217201 /nfs/dbraw/zinc/21/72/01/201217201.db2.gz JFPFRTSWXNOUDO-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000301820157 201217206 /nfs/dbraw/zinc/21/72/06/201217206.db2.gz JFPFRTSWXNOUDO-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1O ZINC000275523657 193067056 /nfs/dbraw/zinc/06/70/56/193067056.db2.gz VWUXAHUDXPOVIP-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1O ZINC000275523657 193067058 /nfs/dbraw/zinc/06/70/58/193067058.db2.gz VWUXAHUDXPOVIP-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO CCCc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000449612996 242065871 /nfs/dbraw/zinc/06/58/71/242065871.db2.gz QAEWATMGGZRQDF-UHFFFAOYSA-N 1 2 275.308 2.825 20 5 CFBDLO Cc1cc(C)c(CNC(=O)c2c(C)cccc2[N+](=O)[O-])c[nH+]1 ZINC000456835380 244299041 /nfs/dbraw/zinc/29/90/41/244299041.db2.gz IOZZIGACVQWICI-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000041010896 372803295 /nfs/dbraw/zinc/80/32/95/372803295.db2.gz ZFPOPJPTOAXWOE-UHFFFAOYSA-N 1 2 277.349 2.958 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000051922484 373420320 /nfs/dbraw/zinc/42/03/20/373420320.db2.gz YAKONMPMYMNLIG-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000065537774 373885573 /nfs/dbraw/zinc/88/55/73/373885573.db2.gz QKKXGXXFWIICSV-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000065537774 373885583 /nfs/dbraw/zinc/88/55/83/373885583.db2.gz QKKXGXXFWIICSV-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000492262048 246236453 /nfs/dbraw/zinc/23/64/53/246236453.db2.gz PCLVIRQJDJKJJR-YVMONPNESA-N 1 2 297.314 2.680 20 5 CFBDLO CC[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091980350 375075766 /nfs/dbraw/zinc/07/57/66/375075766.db2.gz AXKZHAMCCAEZPK-HZRUHFOJSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091980350 375075775 /nfs/dbraw/zinc/07/57/75/375075775.db2.gz AXKZHAMCCAEZPK-HZRUHFOJSA-N 1 2 276.336 2.719 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000094659530 375373102 /nfs/dbraw/zinc/37/31/02/375373102.db2.gz XKMXNQVWEOERBY-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccon1 ZINC000265739280 190203291 /nfs/dbraw/zinc/20/32/91/190203291.db2.gz BQMLUZDOLFPYLK-JTQLQIEISA-N 1 2 261.281 2.776 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccon1 ZINC000265739280 190203292 /nfs/dbraw/zinc/20/32/92/190203292.db2.gz BQMLUZDOLFPYLK-JTQLQIEISA-N 1 2 261.281 2.776 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N(C)CCCn1cc[nH+]c1 ZINC000133021208 377895797 /nfs/dbraw/zinc/89/57/97/377895797.db2.gz XBSZDANYUMJHOL-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665363 378154829 /nfs/dbraw/zinc/15/48/29/378154829.db2.gz YAXVDOJHGNAFSO-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000135665363 378154831 /nfs/dbraw/zinc/15/48/31/378154831.db2.gz YAXVDOJHGNAFSO-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000571795644 383727902 /nfs/dbraw/zinc/72/79/02/383727902.db2.gz JMUZLVAIRORYGO-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000571795644 383727906 /nfs/dbraw/zinc/72/79/06/383727906.db2.gz JMUZLVAIRORYGO-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448864 378558876 /nfs/dbraw/zinc/55/88/76/378558876.db2.gz HHICJFKGFDRJTH-ZWNOBZJWSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448864 378558880 /nfs/dbraw/zinc/55/88/80/378558880.db2.gz HHICJFKGFDRJTH-ZWNOBZJWSA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000161767450 378870176 /nfs/dbraw/zinc/87/01/76/378870176.db2.gz AJCKPMNQDAWYKR-UHFFFAOYSA-N 1 2 296.330 2.825 20 5 CFBDLO Cc1nc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000289450635 197353598 /nfs/dbraw/zinc/35/35/98/197353598.db2.gz UUAVKRKYIPXLIA-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1nc([C@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000289450635 197353600 /nfs/dbraw/zinc/35/36/00/197353600.db2.gz UUAVKRKYIPXLIA-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000173373109 379731174 /nfs/dbraw/zinc/73/11/74/379731174.db2.gz AXKBCCUUTHXLGP-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnccn1 ZINC000174643226 379922799 /nfs/dbraw/zinc/92/27/99/379922799.db2.gz AFYAMAUSWCPMPM-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnccn1 ZINC000174643226 379922800 /nfs/dbraw/zinc/92/28/00/379922800.db2.gz AFYAMAUSWCPMPM-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000347339306 381080752 /nfs/dbraw/zinc/08/07/52/381080752.db2.gz CBFJIYVAQSHQNT-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000347339306 381080761 /nfs/dbraw/zinc/08/07/61/381080761.db2.gz CBFJIYVAQSHQNT-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1cc(C)[nH+]c(CNc2cccc([N+](=O)[O-])c2)c1 ZINC000354247479 381163971 /nfs/dbraw/zinc/16/39/71/381163971.db2.gz ZUUWDVBLSRBMNO-UHFFFAOYSA-N 1 2 273.292 2.919 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000359080716 381252344 /nfs/dbraw/zinc/25/23/44/381252344.db2.gz HKGWWCRGGGLRNK-JTQLQIEISA-N 1 2 289.339 2.551 20 5 CFBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000343595500 381826311 /nfs/dbraw/zinc/82/63/11/381826311.db2.gz BLSJLUPAXIEOML-LBPRGKRZSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000343595500 381826322 /nfs/dbraw/zinc/82/63/22/381826322.db2.gz BLSJLUPAXIEOML-LBPRGKRZSA-N 1 2 294.351 2.677 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000293054320 381968533 /nfs/dbraw/zinc/96/85/33/381968533.db2.gz NEBOPXNIWYYTLW-LLVKDONJSA-N 1 2 256.252 2.668 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000293054320 381968539 /nfs/dbraw/zinc/96/85/39/381968539.db2.gz NEBOPXNIWYYTLW-LLVKDONJSA-N 1 2 256.252 2.668 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000293261187 382051621 /nfs/dbraw/zinc/05/16/21/382051621.db2.gz RYGGUZSKWCFCTH-SNVBAGLBSA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1cc(N[C@H]2CC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352431129 382329595 /nfs/dbraw/zinc/32/95/95/382329595.db2.gz KWQLDRXPEDNYLN-ZDUSSCGKSA-N 1 2 298.346 2.993 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000364300866 382300150 /nfs/dbraw/zinc/30/01/50/382300150.db2.gz MKXXCGPFEXNUSN-CYBMUJFWSA-N 1 2 286.335 2.941 20 5 CFBDLO Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc[nH+]1 ZINC000346846174 382542831 /nfs/dbraw/zinc/54/28/31/382542831.db2.gz PWZWEAFLYDTYEJ-UHFFFAOYSA-N 1 2 297.270 2.719 20 5 CFBDLO CC[C@@H](F)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000440772891 382880579 /nfs/dbraw/zinc/88/05/79/382880579.db2.gz DPYQRPIVRSJSCF-GFCCVEGCSA-N 1 2 252.289 2.701 20 5 CFBDLO CC[C@@H](F)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000440772891 382880581 /nfs/dbraw/zinc/88/05/81/382880581.db2.gz DPYQRPIVRSJSCF-GFCCVEGCSA-N 1 2 252.289 2.701 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c(F)c1 ZINC000578745804 382950044 /nfs/dbraw/zinc/95/00/44/382950044.db2.gz GYGWQIHFZCVFRW-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)c(F)c1 ZINC000578745804 382950049 /nfs/dbraw/zinc/95/00/49/382950049.db2.gz GYGWQIHFZCVFRW-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000245513166 383003809 /nfs/dbraw/zinc/00/38/09/383003809.db2.gz CCCMEZDRNBPSRH-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000245513166 383003812 /nfs/dbraw/zinc/00/38/12/383003812.db2.gz CCCMEZDRNBPSRH-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000339097993 383147857 /nfs/dbraw/zinc/14/78/57/383147857.db2.gz SCAKDEJAEYKYHB-UHFFFAOYSA-N 1 2 262.309 2.676 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000339097993 383147858 /nfs/dbraw/zinc/14/78/58/383147858.db2.gz SCAKDEJAEYKYHB-UHFFFAOYSA-N 1 2 262.309 2.676 20 5 CFBDLO CC1=CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000339657282 383276083 /nfs/dbraw/zinc/27/60/83/383276083.db2.gz DUJVOOSPHUZUKL-UHFFFAOYSA-N 1 2 250.273 2.886 20 5 CFBDLO CC1=CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000339657282 383276090 /nfs/dbraw/zinc/27/60/90/383276090.db2.gz DUJVOOSPHUZUKL-UHFFFAOYSA-N 1 2 250.273 2.886 20 5 CFBDLO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)F ZINC000449358767 383238032 /nfs/dbraw/zinc/23/80/32/383238032.db2.gz GLPYOMYRJXMOIR-VIFPVBQESA-N 1 2 274.267 2.737 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459740422 383296170 /nfs/dbraw/zinc/29/61/70/383296170.db2.gz UGIJOPQKZSEDST-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459740422 383296175 /nfs/dbraw/zinc/29/61/75/383296175.db2.gz UGIJOPQKZSEDST-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339778457 383315767 /nfs/dbraw/zinc/31/57/67/383315767.db2.gz VYNDHVPTXYJNHI-MRXNPFEDSA-N 1 2 290.363 2.986 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339778457 383315771 /nfs/dbraw/zinc/31/57/71/383315771.db2.gz VYNDHVPTXYJNHI-MRXNPFEDSA-N 1 2 290.363 2.986 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567796403 383317252 /nfs/dbraw/zinc/31/72/52/383317252.db2.gz AQOCSBBXFKHJBM-CYBMUJFWSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567796403 383317254 /nfs/dbraw/zinc/31/72/54/383317254.db2.gz AQOCSBBXFKHJBM-CYBMUJFWSA-N 1 2 299.330 2.685 20 5 CFBDLO CC(C)[C@H](Nc1ccc([N+](=O)[O-])nc1)c1[nH]cc[nH+]1 ZINC000450511694 383444201 /nfs/dbraw/zinc/44/42/01/383444201.db2.gz QREAYAKQOJTXDA-NSHDSACASA-N 1 2 261.285 2.522 20 5 CFBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]c1C ZINC000569470426 383504268 /nfs/dbraw/zinc/50/42/68/383504268.db2.gz BRECBWUUEWLZIL-UHFFFAOYSA-N 1 2 274.324 2.533 20 5 CFBDLO Cc1[nH]c(CNCc2cccc([N+](=O)[O-])c2C)[nH+]c1C ZINC000569470426 383504271 /nfs/dbraw/zinc/50/42/71/383504271.db2.gz BRECBWUUEWLZIL-UHFFFAOYSA-N 1 2 274.324 2.533 20 5 CFBDLO Cc1c[nH+]c(C)nc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000570582893 383617289 /nfs/dbraw/zinc/61/72/89/383617289.db2.gz MYVMACUUNTZNBC-UHFFFAOYSA-N 1 2 286.335 2.681 20 5 CFBDLO Cc1[nH]c(CNC(C)(C)c2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000570583239 383617770 /nfs/dbraw/zinc/61/77/70/383617770.db2.gz ADCHJXPOSANWSE-UHFFFAOYSA-N 1 2 288.351 2.960 20 5 CFBDLO Cc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000570583239 383617775 /nfs/dbraw/zinc/61/77/75/383617775.db2.gz ADCHJXPOSANWSE-UHFFFAOYSA-N 1 2 288.351 2.960 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccon1 ZINC000573458447 383934763 /nfs/dbraw/zinc/93/47/63/383934763.db2.gz SSNDUTHOPNQHOH-NOZJJQNGSA-N 1 2 273.292 2.921 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000438354548 383990289 /nfs/dbraw/zinc/99/02/89/383990289.db2.gz GJVAFKOTOAOXIE-WOPDTQHZSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000438354548 383990295 /nfs/dbraw/zinc/99/02/95/383990295.db2.gz GJVAFKOTOAOXIE-WOPDTQHZSA-N 1 2 264.325 2.593 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364029504 285091908 /nfs/dbraw/zinc/09/19/08/285091908.db2.gz BHVGMJXLCIQBSL-SECBINFHSA-N 1 2 293.714 2.708 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1[nH+]ccn1C ZINC000277895109 384434063 /nfs/dbraw/zinc/43/40/63/384434063.db2.gz XGDUYVJQMALMEX-UHFFFAOYSA-N 1 2 280.715 2.902 20 5 CFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000268951562 384700891 /nfs/dbraw/zinc/70/08/91/384700891.db2.gz IKESZNMCIFVKJQ-UHFFFAOYSA-N 1 2 294.742 2.971 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628174 385091487 /nfs/dbraw/zinc/09/14/87/385091487.db2.gz QERMHLBEDKZTPV-MLGOLLRUSA-N 1 2 290.363 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628174 385091491 /nfs/dbraw/zinc/09/14/91/385091491.db2.gz QERMHLBEDKZTPV-MLGOLLRUSA-N 1 2 290.363 2.903 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000283019060 385424712 /nfs/dbraw/zinc/42/47/12/385424712.db2.gz HRNSHRACQAFBJZ-GHMZBOCLSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H](C)C1 ZINC000283019060 385424714 /nfs/dbraw/zinc/42/47/14/385424714.db2.gz HRNSHRACQAFBJZ-GHMZBOCLSA-N 1 2 262.309 2.567 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184552808 285405485 /nfs/dbraw/zinc/40/54/85/285405485.db2.gz VWOXQSNCCVELNY-LBPRGKRZSA-N 1 2 276.292 2.665 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414108065 533462140 /nfs/dbraw/zinc/46/21/40/533462140.db2.gz ZORLRWRAKYUNCA-LLVKDONJSA-N 1 2 286.335 2.588 20 5 CFBDLO CC(C)n1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000084225472 393747375 /nfs/dbraw/zinc/74/73/75/393747375.db2.gz CHKSKXSPUHBRAV-UHFFFAOYSA-N 1 2 274.324 2.662 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411839847 393753816 /nfs/dbraw/zinc/75/38/16/393753816.db2.gz CTUKVSNEVZKCGI-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411839847 393753819 /nfs/dbraw/zinc/75/38/19/393753819.db2.gz CTUKVSNEVZKCGI-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000411860221 393756438 /nfs/dbraw/zinc/75/64/38/393756438.db2.gz LIFIAQLBPKJRQE-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000411860221 393756440 /nfs/dbraw/zinc/75/64/40/393756440.db2.gz LIFIAQLBPKJRQE-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000107287565 393869482 /nfs/dbraw/zinc/86/94/82/393869482.db2.gz KSEAKUKSCNFNKI-QPJJXVBHSA-N 1 2 283.287 2.950 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000263777102 393965107 /nfs/dbraw/zinc/96/51/07/393965107.db2.gz USVVTHVNLPHYHD-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccoc1 ZINC000430222871 393969945 /nfs/dbraw/zinc/96/99/45/393969945.db2.gz GOWKWGAFODMQQU-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccoc1 ZINC000430222871 393969947 /nfs/dbraw/zinc/96/99/47/393969947.db2.gz GOWKWGAFODMQQU-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO Cc1cc(N2CC(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000430516498 393990520 /nfs/dbraw/zinc/99/05/20/393990520.db2.gz XMERATPNCFNWGL-UHFFFAOYSA-N 1 2 284.319 2.816 20 5 CFBDLO Cc1nc(Nc2ccc3c(c2)CCC[NH2+]3)ncc1[N+](=O)[O-] ZINC000420192699 394091536 /nfs/dbraw/zinc/09/15/36/394091536.db2.gz QZQXJXGBCNHZIM-UHFFFAOYSA-N 1 2 285.307 2.795 20 5 CFBDLO C[N@H+](CCOCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000130866592 394120346 /nfs/dbraw/zinc/12/03/46/394120346.db2.gz YNGUWHXNCNEMHZ-UHFFFAOYSA-N 1 2 282.315 2.592 20 5 CFBDLO C[N@@H+](CCOCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000130866592 394120351 /nfs/dbraw/zinc/12/03/51/394120351.db2.gz YNGUWHXNCNEMHZ-UHFFFAOYSA-N 1 2 282.315 2.592 20 5 CFBDLO CC[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420957794 394140641 /nfs/dbraw/zinc/14/06/41/394140641.db2.gz ZXTTYLMKDLPJND-ZIAGYGMSSA-N 1 2 278.352 2.984 20 5 CFBDLO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000133272301 394173067 /nfs/dbraw/zinc/17/30/67/394173067.db2.gz AKUUEZJOIGIANG-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000133272301 394173071 /nfs/dbraw/zinc/17/30/71/394173071.db2.gz AKUUEZJOIGIANG-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO Cc1cnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450821823 394340638 /nfs/dbraw/zinc/34/06/38/394340638.db2.gz ALHXALOENRPNRT-NXEZZACHSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000450831755 394341348 /nfs/dbraw/zinc/34/13/48/394341348.db2.gz QAVJJDZCORRGKH-MNOVXSKESA-N 1 2 287.323 2.921 20 5 CFBDLO CCOc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000451201818 394368256 /nfs/dbraw/zinc/36/82/56/394368256.db2.gz VSHYCQWBRJPOGZ-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO CCOc1cc(C[N@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000451201818 394368258 /nfs/dbraw/zinc/36/82/58/394368258.db2.gz VSHYCQWBRJPOGZ-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000371825855 292214097 /nfs/dbraw/zinc/21/40/97/292214097.db2.gz ZXVUQGWOWYDURX-NSHDSACASA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000371825855 292214099 /nfs/dbraw/zinc/21/40/99/292214099.db2.gz ZXVUQGWOWYDURX-NSHDSACASA-N 1 2 290.323 2.567 20 5 CFBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000344305844 162003688 /nfs/dbraw/zinc/00/36/88/162003688.db2.gz OWQJSOMDKUCYOC-UHFFFAOYSA-N 1 2 293.348 2.782 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000345350630 162233469 /nfs/dbraw/zinc/23/34/69/162233469.db2.gz IGIJJWQMJVTUQM-SKDRFNHKSA-N 1 2 258.281 2.909 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000345350622 162233776 /nfs/dbraw/zinc/23/37/76/162233776.db2.gz IGIJJWQMJVTUQM-BXKDBHETSA-N 1 2 258.281 2.909 20 5 CFBDLO CCc1nocc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351569745 163149255 /nfs/dbraw/zinc/14/92/55/163149255.db2.gz VCRHSOUUTJFEGV-UHFFFAOYSA-N 1 2 287.319 2.704 20 5 CFBDLO CCc1nocc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351569745 163149256 /nfs/dbraw/zinc/14/92/56/163149256.db2.gz VCRHSOUUTJFEGV-UHFFFAOYSA-N 1 2 287.319 2.704 20 5 CFBDLO CC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436467 287057360 /nfs/dbraw/zinc/05/73/60/287057360.db2.gz RAXOSIGCTLBXIY-LLVKDONJSA-N 1 2 250.298 2.675 20 5 CFBDLO CC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436467 287057363 /nfs/dbraw/zinc/05/73/63/287057363.db2.gz RAXOSIGCTLBXIY-LLVKDONJSA-N 1 2 250.298 2.675 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000179847349 260077365 /nfs/dbraw/zinc/07/73/65/260077365.db2.gz HSROCKKKVFWMCN-UHFFFAOYSA-N 1 2 286.291 2.620 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000023706668 278110669 /nfs/dbraw/zinc/11/06/69/278110669.db2.gz YSSLGNUBPQZUNU-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000023706668 278110671 /nfs/dbraw/zinc/11/06/71/278110671.db2.gz YSSLGNUBPQZUNU-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO Cc1cccn2cc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)[nH+]c12 ZINC000185176756 280833562 /nfs/dbraw/zinc/83/35/62/280833562.db2.gz ANMJQBUOXZVMOB-UHFFFAOYSA-N 1 2 297.318 2.673 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000398407742 281206375 /nfs/dbraw/zinc/20/63/75/281206375.db2.gz KPAUGRBRYLWWKS-RKDXNWHRSA-N 1 2 278.337 2.858 20 5 CFBDLO Cc1ccc(C[NH2+][C@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000398419834 281206388 /nfs/dbraw/zinc/20/63/88/281206388.db2.gz PGYKZWXJXMUKCB-SECBINFHSA-N 1 2 278.337 2.606 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430238760 281232676 /nfs/dbraw/zinc/23/26/76/281232676.db2.gz RFEJYNQGWFSDAN-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430238760 281232678 /nfs/dbraw/zinc/23/26/78/281232678.db2.gz RFEJYNQGWFSDAN-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000563353657 290136584 /nfs/dbraw/zinc/13/65/84/290136584.db2.gz OCZCHEBCHWZMDS-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cs1 ZINC000563353657 290136587 /nfs/dbraw/zinc/13/65/87/290136587.db2.gz OCZCHEBCHWZMDS-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446071537 297033186 /nfs/dbraw/zinc/03/31/86/297033186.db2.gz JSCBBOAZRJHHHE-IJLUTSLNSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000446071537 297033188 /nfs/dbraw/zinc/03/31/88/297033188.db2.gz JSCBBOAZRJHHHE-IJLUTSLNSA-N 1 2 264.325 2.593 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438382504 295131897 /nfs/dbraw/zinc/13/18/97/295131897.db2.gz PDDASBNCJMAOKR-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438382504 295131899 /nfs/dbraw/zinc/13/18/99/295131899.db2.gz PDDASBNCJMAOKR-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@H]1CCSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332246304 300027996 /nfs/dbraw/zinc/02/79/96/300027996.db2.gz BKCALZNKDUOJKO-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@H]1CCSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332246304 300027998 /nfs/dbraw/zinc/02/79/98/300027998.db2.gz BKCALZNKDUOJKO-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO Cc1cnc([C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580392756 325031428 /nfs/dbraw/zinc/03/14/28/325031428.db2.gz HOGITSSOKFGBQF-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cnc([C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580392756 325031432 /nfs/dbraw/zinc/03/14/32/325031432.db2.gz HOGITSSOKFGBQF-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1c(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000583302431 325276270 /nfs/dbraw/zinc/27/62/70/325276270.db2.gz RDNSDWGSJCYVIJ-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1c(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000583302431 325276272 /nfs/dbraw/zinc/27/62/72/325276272.db2.gz RDNSDWGSJCYVIJ-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO C[C@H](CCCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413190818 533886098 /nfs/dbraw/zinc/88/60/98/533886098.db2.gz XQOUTLOAWHQYGQ-SNVBAGLBSA-N 1 2 275.308 2.716 20 5 CFBDLO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361419636 519653432 /nfs/dbraw/zinc/65/34/32/519653432.db2.gz FYHOAPXXSZJUER-LLVKDONJSA-N 1 2 282.315 2.733 20 5 CFBDLO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361419636 519653434 /nfs/dbraw/zinc/65/34/34/519653434.db2.gz FYHOAPXXSZJUER-LLVKDONJSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000156805036 524477453 /nfs/dbraw/zinc/47/74/53/524477453.db2.gz BKIYHQOAYXBTGN-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000156805036 524477461 /nfs/dbraw/zinc/47/74/61/524477461.db2.gz BKIYHQOAYXBTGN-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000315381226 524964651 /nfs/dbraw/zinc/96/46/51/524964651.db2.gz SKVGZYOLIXOTTH-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO C[C@H]1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450175 574074985 /nfs/dbraw/zinc/07/49/85/574074985.db2.gz ODEMCGHKVPVXEO-NSHDSACASA-N 1 2 297.786 2.680 20 5 CFBDLO Cc1ccccc1C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000746709983 574163876 /nfs/dbraw/zinc/16/38/76/574163876.db2.gz RWILENDINXURDU-UHFFFAOYSA-N 1 2 286.335 2.722 20 5 CFBDLO Cc1ccccc1C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000746709983 574163878 /nfs/dbraw/zinc/16/38/78/574163878.db2.gz RWILENDINXURDU-UHFFFAOYSA-N 1 2 286.335 2.722 20 5 CFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080407 574347107 /nfs/dbraw/zinc/34/71/07/574347107.db2.gz AGFCOGNNDBAOJO-FZMZJTMJSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080407 574347109 /nfs/dbraw/zinc/34/71/09/574347109.db2.gz AGFCOGNNDBAOJO-FZMZJTMJSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934478792 618050967 /nfs/dbraw/zinc/05/09/67/618050967.db2.gz NIAROMJDPZOXGZ-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934478792 618050971 /nfs/dbraw/zinc/05/09/71/618050971.db2.gz NIAROMJDPZOXGZ-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO CCNc1cc(CNc2nccc(C)c2[N+](=O)[O-])cc[nH+]1 ZINC000894869925 619492111 /nfs/dbraw/zinc/49/21/11/619492111.db2.gz GMSBWFDCISXSRB-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000896583975 619767351 /nfs/dbraw/zinc/76/73/51/619767351.db2.gz KWQCQZUCRJEGNP-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000896583975 619767353 /nfs/dbraw/zinc/76/73/53/619767353.db2.gz KWQCQZUCRJEGNP-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1nc(NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000896795031 619820242 /nfs/dbraw/zinc/82/02/42/619820242.db2.gz ZILFAHMYNLSFFQ-SNVBAGLBSA-N 1 2 272.308 2.909 20 5 CFBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(N)n2)cc1[N+](=O)[O-] ZINC000902486683 621112061 /nfs/dbraw/zinc/11/20/61/621112061.db2.gz AXEGIDHEOKRVAJ-VIFPVBQESA-N 1 2 292.364 2.793 20 5 CFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(N)n2)cc1[N+](=O)[O-] ZINC000902486680 621112201 /nfs/dbraw/zinc/11/22/01/621112201.db2.gz AXEGIDHEOKRVAJ-SECBINFHSA-N 1 2 292.364 2.793 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000922580797 626316659 /nfs/dbraw/zinc/31/66/59/626316659.db2.gz FAYXPESAXPUZKO-CQSZACIVSA-N 1 2 284.319 2.626 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000782539276 628644022 /nfs/dbraw/zinc/64/40/22/628644022.db2.gz RPBISLMNQWDTPO-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000782539276 628644025 /nfs/dbraw/zinc/64/40/25/628644025.db2.gz RPBISLMNQWDTPO-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO CC(C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835079572 629375566 /nfs/dbraw/zinc/37/55/66/629375566.db2.gz YZANVRUCSYGDFX-UHFFFAOYSA-N 1 2 289.291 2.593 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000844457853 632219332 /nfs/dbraw/zinc/21/93/32/632219332.db2.gz LTNKLZNDXYSCMV-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(Cl)c1 ZINC000844457853 632219338 /nfs/dbraw/zinc/21/93/38/632219338.db2.gz LTNKLZNDXYSCMV-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO Cc1c[nH+]c(CCNc2cc(N)ccc2[N+](=O)[O-])c(C)c1 ZINC000848755692 633336541 /nfs/dbraw/zinc/33/65/41/633336541.db2.gz BGJVBQUSJUXVSZ-UHFFFAOYSA-N 1 2 286.335 2.843 20 5 CFBDLO O=[N+]([O-])c1cc(CN2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000859307697 636536982 /nfs/dbraw/zinc/53/69/82/636536982.db2.gz HFMUENQSRPCBTA-UHFFFAOYSA-N 1 2 292.726 2.530 20 5 CFBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000865745741 638549586 /nfs/dbraw/zinc/54/95/86/638549586.db2.gz JXLUNZRWCCRHQP-AWEZNQCLSA-N 1 2 294.351 2.738 20 5 CFBDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000865809749 638585870 /nfs/dbraw/zinc/58/58/70/638585870.db2.gz ATVJJFWTPXLNGQ-UHFFFAOYSA-N 1 2 296.277 2.556 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872039315 641573101 /nfs/dbraw/zinc/57/31/01/641573101.db2.gz SHXBNYWXNRGWIF-VIFPVBQESA-N 1 2 278.287 2.616 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000872129850 641657885 /nfs/dbraw/zinc/65/78/85/641657885.db2.gz ZUOKCTIBBKRLDL-ZYHUDNBSSA-N 1 2 272.308 2.587 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000886090315 646862645 /nfs/dbraw/zinc/86/26/45/646862645.db2.gz VATQPRFJXYAEIO-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000886090315 646862650 /nfs/dbraw/zinc/86/26/50/646862650.db2.gz VATQPRFJXYAEIO-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886093563 646863379 /nfs/dbraw/zinc/86/33/79/646863379.db2.gz COLVQKAXMSINEC-CQSZACIVSA-N 1 2 286.335 2.968 20 5 CFBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886093563 646863387 /nfs/dbraw/zinc/86/33/87/646863387.db2.gz COLVQKAXMSINEC-CQSZACIVSA-N 1 2 286.335 2.968 20 5 CFBDLO O=[N+]([O-])c1cc(Nc2ccc3[nH+]ccn3c2)ccc1O ZINC001210393055 770278661 /nfs/dbraw/zinc/27/86/61/770278661.db2.gz MEHHHANENYQQLY-UHFFFAOYSA-N 1 2 270.248 2.692 20 5 CFBDLO CC[NH+]1CC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC001225913792 775632676 /nfs/dbraw/zinc/63/26/76/775632676.db2.gz KAZZEAXZFZRTMJ-UHFFFAOYSA-N 1 2 290.241 2.697 20 5 CFBDLO C/C=C/COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000126260921 776943200 /nfs/dbraw/zinc/94/32/00/776943200.db2.gz LCBMGNRWQCFUHD-NSCUHMNNSA-N 1 2 287.275 2.513 20 5 CFBDLO O=[N+]([O-])C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC1 ZINC001231080585 777135154 /nfs/dbraw/zinc/13/51/54/777135154.db2.gz FOCNMEQHXIUVRR-ZDUSSCGKSA-N 1 2 273.292 2.511 20 5 CFBDLO Cc1[nH]c(CNc2ccsc2[N+](=O)[O-])[nH+]c1C ZINC001120958753 779011707 /nfs/dbraw/zinc/01/17/07/779011707.db2.gz AAEUTOQNGLRTII-UHFFFAOYSA-N 1 2 252.299 2.608 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)ccc1Br ZINC000707002721 781220271 /nfs/dbraw/zinc/22/02/71/781220271.db2.gz RQPWHTGHVXPXDM-KOLCDFICSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)ccc1Br ZINC000707002721 781220278 /nfs/dbraw/zinc/22/02/78/781220278.db2.gz RQPWHTGHVXPXDM-KOLCDFICSA-N 1 2 297.152 2.952 20 5 CFBDLO Cc1conc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000708225610 781267695 /nfs/dbraw/zinc/26/76/95/781267695.db2.gz LYYDUOQWTWWYLZ-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291351 349592600 /nfs/dbraw/zinc/59/26/00/349592600.db2.gz REFJKPWKMWSFPO-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291351 349592603 /nfs/dbraw/zinc/59/26/03/349592603.db2.gz REFJKPWKMWSFPO-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000595344172 349605989 /nfs/dbraw/zinc/60/59/89/349605989.db2.gz ATOXBRSRGUCGDZ-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000595344172 349605992 /nfs/dbraw/zinc/60/59/92/349605992.db2.gz ATOXBRSRGUCGDZ-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO CCc1cnccc1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595427606 349622385 /nfs/dbraw/zinc/62/23/85/349622385.db2.gz XZANMJCYMBDCNS-SECBINFHSA-N 1 2 290.323 2.699 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000595461794 349634677 /nfs/dbraw/zinc/63/46/77/349634677.db2.gz NNQNSMSPKCTQNM-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000595461794 349634681 /nfs/dbraw/zinc/63/46/81/349634681.db2.gz NNQNSMSPKCTQNM-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO COc1cc(C[NH2+][C@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000595666795 349693842 /nfs/dbraw/zinc/69/38/42/349693842.db2.gz CRIOEGABQZRYHT-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO CC[C@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413189755 529694674 /nfs/dbraw/zinc/69/46/74/529694674.db2.gz ADHOXMWGGWNHGF-LBPRGKRZSA-N 1 2 275.308 2.716 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596357559 349875681 /nfs/dbraw/zinc/87/56/81/349875681.db2.gz QJSZAAQVDNJVHR-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cn2)c[nH+]1 ZINC000074750359 347030362 /nfs/dbraw/zinc/03/03/62/347030362.db2.gz WQLSXMIBZATAOB-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075624476 347088681 /nfs/dbraw/zinc/08/86/81/347088681.db2.gz YBGXZVOCBYPABQ-NWDGAFQWSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075624476 347088686 /nfs/dbraw/zinc/08/86/86/347088686.db2.gz YBGXZVOCBYPABQ-NWDGAFQWSA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000022136114 346248353 /nfs/dbraw/zinc/24/83/53/346248353.db2.gz LMPBCNMMCQMGLV-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO C[C@@H](CNc1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380121 346664300 /nfs/dbraw/zinc/66/43/00/346664300.db2.gz PWQCMOLIWFFCHA-NSHDSACASA-N 1 2 260.297 2.540 20 5 CFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000060380068 346664396 /nfs/dbraw/zinc/66/43/96/346664396.db2.gz GOKVUDXWNRFPFW-SNVBAGLBSA-N 1 2 278.287 2.679 20 5 CFBDLO Cc1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000088727622 347508728 /nfs/dbraw/zinc/50/87/28/347508728.db2.gz DTHLEHRUZDDJNC-NSHDSACASA-N 1 2 287.323 2.753 20 5 CFBDLO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091937319 347604087 /nfs/dbraw/zinc/60/40/87/347604087.db2.gz GGTWVQCCUVSZCH-UWVGGRQHSA-N 1 2 250.298 2.673 20 5 CFBDLO C[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540217 347631486 /nfs/dbraw/zinc/63/14/86/347631486.db2.gz GXXUQEJCPWNNND-UWVGGRQHSA-N 1 2 282.365 2.626 20 5 CFBDLO CCC(CC)[N@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092565778 347632477 /nfs/dbraw/zinc/63/24/77/347632477.db2.gz LYUWCOWETTVHAT-UHFFFAOYSA-N 1 2 296.367 2.937 20 5 CFBDLO CCC(CC)[N@@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092565778 347632481 /nfs/dbraw/zinc/63/24/81/347632481.db2.gz LYUWCOWETTVHAT-UHFFFAOYSA-N 1 2 296.367 2.937 20 5 CFBDLO CCO[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156102189 347991504 /nfs/dbraw/zinc/99/15/04/347991504.db2.gz KVRDVRSUIKJXLJ-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO CCO[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156102189 347991510 /nfs/dbraw/zinc/99/15/10/347991510.db2.gz KVRDVRSUIKJXLJ-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000156428552 347994625 /nfs/dbraw/zinc/99/46/25/347994625.db2.gz URESIBAJQJINPX-QMMMGPOBSA-N 1 2 264.260 2.641 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000584720355 348709379 /nfs/dbraw/zinc/70/93/79/348709379.db2.gz INAVIDOQXGRQBH-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000584720355 348709380 /nfs/dbraw/zinc/70/93/80/348709380.db2.gz INAVIDOQXGRQBH-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO CSCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591137262 348991587 /nfs/dbraw/zinc/99/15/87/348991587.db2.gz BCYSSXQWWXQHAG-UHFFFAOYSA-N 1 2 263.322 2.918 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593063799 349199158 /nfs/dbraw/zinc/19/91/58/349199158.db2.gz NURJUDLIWVANGB-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593063799 349199161 /nfs/dbraw/zinc/19/91/61/349199161.db2.gz NURJUDLIWVANGB-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593062795 349199452 /nfs/dbraw/zinc/19/94/52/349199452.db2.gz JABUAQSEZBCQTK-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593062795 349199456 /nfs/dbraw/zinc/19/94/56/349199456.db2.gz JABUAQSEZBCQTK-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)CO1 ZINC000593064095 349199558 /nfs/dbraw/zinc/19/95/58/349199558.db2.gz WYDWGJNJPAYAST-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)CO1 ZINC000593064095 349199562 /nfs/dbraw/zinc/19/95/62/349199562.db2.gz WYDWGJNJPAYAST-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)CO1 ZINC000593064096 349199655 /nfs/dbraw/zinc/19/96/55/349199655.db2.gz WYDWGJNJPAYAST-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)CO1 ZINC000593064096 349199660 /nfs/dbraw/zinc/19/96/60/349199660.db2.gz WYDWGJNJPAYAST-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593665413 349306873 /nfs/dbraw/zinc/30/68/73/349306873.db2.gz CFGSNMIXKOTTSI-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593665413 349306877 /nfs/dbraw/zinc/30/68/77/349306877.db2.gz CFGSNMIXKOTTSI-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000091917412 180286046 /nfs/dbraw/zinc/28/60/46/180286046.db2.gz SMLCCUDJQAOHDL-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000091917412 180286049 /nfs/dbraw/zinc/28/60/49/180286049.db2.gz SMLCCUDJQAOHDL-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO C[C@H](CO)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059290 350368351 /nfs/dbraw/zinc/36/83/51/350368351.db2.gz MHJSDYIZCWMSTR-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO CC[C@H](C)[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043486 350363789 /nfs/dbraw/zinc/36/37/89/350363789.db2.gz MXUFTRAVFVXEQQ-IINYFYTJSA-N 1 2 289.335 2.962 20 5 CFBDLO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039930 350363837 /nfs/dbraw/zinc/36/38/37/350363837.db2.gz CBBHVGYUBJKEDO-SNVBAGLBSA-N 1 2 257.293 2.989 20 5 CFBDLO C[C@@H]1COCC[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072307 350370853 /nfs/dbraw/zinc/37/08/53/350370853.db2.gz AVKUSUGUTLFWSH-ZWNOBZJWSA-N 1 2 287.319 2.980 20 5 CFBDLO C[C@@H]1COCC[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072306 350371159 /nfs/dbraw/zinc/37/11/59/350371159.db2.gz AVKUSUGUTLFWSH-MFKMUULPSA-N 1 2 287.319 2.980 20 5 CFBDLO COCCC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599104196 350376183 /nfs/dbraw/zinc/37/61/83/350376183.db2.gz SWSWPRHCQHCYHD-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCO2 ZINC000600191092 350536107 /nfs/dbraw/zinc/53/61/07/350536107.db2.gz UFFLXYUMVMIEJT-MDWZMJQESA-N 1 2 288.347 2.863 20 5 CFBDLO CC(C)c1[nH+]cc(-c2cc([N+](=O)[O-])ccc2CCO)n1C ZINC000600847970 350619323 /nfs/dbraw/zinc/61/93/23/350619323.db2.gz AXZUBOHCLJYFIV-UHFFFAOYSA-N 1 2 289.335 2.654 20 5 CFBDLO CC(C)(CNc1c(F)cc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC000601198309 350694833 /nfs/dbraw/zinc/69/48/33/350694833.db2.gz UWCAREGVVNLBKQ-UHFFFAOYSA-N 1 2 296.277 2.917 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275668 186387173 /nfs/dbraw/zinc/38/71/73/186387173.db2.gz JRHNDQJHWIPHQV-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275668 186387174 /nfs/dbraw/zinc/38/71/74/186387174.db2.gz JRHNDQJHWIPHQV-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441417 350883979 /nfs/dbraw/zinc/88/39/79/350883979.db2.gz FWZOKLDJEXHPEY-VIFPVBQESA-N 1 2 280.353 2.583 20 5 CFBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441417 350883982 /nfs/dbraw/zinc/88/39/82/350883982.db2.gz FWZOKLDJEXHPEY-VIFPVBQESA-N 1 2 280.353 2.583 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602897526 351060152 /nfs/dbraw/zinc/06/01/52/351060152.db2.gz KPNOQNIKRSVDDB-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602897526 351060156 /nfs/dbraw/zinc/06/01/56/351060156.db2.gz KPNOQNIKRSVDDB-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1Sc1[nH+]cc2ccccn21 ZINC000603840275 351184866 /nfs/dbraw/zinc/18/48/66/351184866.db2.gz XVKNLBZCOVAKIU-UHFFFAOYSA-N 1 2 272.289 2.789 20 5 CFBDLO Cc1[nH+]c2ccccc2n1CCNc1cccnc1[N+](=O)[O-] ZINC000603843071 351185503 /nfs/dbraw/zinc/18/55/03/351185503.db2.gz VSLXQZILZSUVGM-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623096 351512343 /nfs/dbraw/zinc/51/23/43/351512343.db2.gz LJCRBIUCXOLDJD-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276387 351546806 /nfs/dbraw/zinc/54/68/06/351546806.db2.gz SKFAVLYREAVTPX-JTQLQIEISA-N 1 2 278.337 2.694 20 5 CFBDLO C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000610726419 351598082 /nfs/dbraw/zinc/59/80/82/351598082.db2.gz IDVBLBPSLLFDAI-JQWIXIFHSA-N 1 2 292.364 2.940 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000611080154 351638574 /nfs/dbraw/zinc/63/85/74/351638574.db2.gz NTHXITWJYQCBOG-SNVBAGLBSA-N 1 2 290.348 2.742 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2c[nH]nc2C1 ZINC000611516723 351702867 /nfs/dbraw/zinc/70/28/67/351702867.db2.gz GZHXIMWORPKIBP-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2c[nH]nc2C1 ZINC000611516723 351702869 /nfs/dbraw/zinc/70/28/69/351702869.db2.gz GZHXIMWORPKIBP-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611791851 351741042 /nfs/dbraw/zinc/74/10/42/351741042.db2.gz ZBIPIBBEECQXSQ-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611791851 351741046 /nfs/dbraw/zinc/74/10/46/351741046.db2.gz ZBIPIBBEECQXSQ-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611792494 351741276 /nfs/dbraw/zinc/74/12/76/351741276.db2.gz OTSJRVIGLDIPNE-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611792494 351741279 /nfs/dbraw/zinc/74/12/79/351741279.db2.gz OTSJRVIGLDIPNE-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1cn2c([nH+]1)CN([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000611802210 351741897 /nfs/dbraw/zinc/74/18/97/351741897.db2.gz RNDVJVKAOGZCGV-GFCCVEGCSA-N 1 2 286.335 2.677 20 5 CFBDLO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000612534693 351833154 /nfs/dbraw/zinc/83/31/54/351833154.db2.gz JYZIUWADJIUQCI-UHFFFAOYSA-N 1 2 258.268 2.724 20 5 CFBDLO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000612534693 351833157 /nfs/dbraw/zinc/83/31/57/351833157.db2.gz JYZIUWADJIUQCI-UHFFFAOYSA-N 1 2 258.268 2.724 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381623 351948525 /nfs/dbraw/zinc/94/85/25/351948525.db2.gz LYTUQIBQHNJOIH-BXKDBHETSA-N 1 2 280.299 2.727 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381623 351948526 /nfs/dbraw/zinc/94/85/26/351948526.db2.gz LYTUQIBQHNJOIH-BXKDBHETSA-N 1 2 280.299 2.727 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000614452930 352095942 /nfs/dbraw/zinc/09/59/42/352095942.db2.gz OQLFKVWMFCAHSC-OICCZTGUSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000614452930 352095944 /nfs/dbraw/zinc/09/59/44/352095944.db2.gz OQLFKVWMFCAHSC-OICCZTGUSA-N 1 2 288.347 2.719 20 5 CFBDLO Cc1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000614976879 352138245 /nfs/dbraw/zinc/13/82/45/352138245.db2.gz RAVOYHURHRQFRU-ZDUSSCGKSA-N 1 2 286.335 2.941 20 5 CFBDLO Cc1nc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc[nH+]1 ZINC000152474045 188021588 /nfs/dbraw/zinc/02/15/88/188021588.db2.gz SCXIFLMNHRUIMJ-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccn1 ZINC000295170582 199385382 /nfs/dbraw/zinc/38/53/82/199385382.db2.gz OIWFVJYLFFKYTP-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccn1 ZINC000295170582 199385384 /nfs/dbraw/zinc/38/53/84/199385384.db2.gz OIWFVJYLFFKYTP-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1cnccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000294624670 199112369 /nfs/dbraw/zinc/11/23/69/199112369.db2.gz ZEKRXZIVOXIEFW-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cnccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000294624670 199112371 /nfs/dbraw/zinc/11/23/71/199112371.db2.gz ZEKRXZIVOXIEFW-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO C[N@H+](Cc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000179315189 189185235 /nfs/dbraw/zinc/18/52/35/189185235.db2.gz BHOSVSVIMNJHNV-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000179315189 189185236 /nfs/dbraw/zinc/18/52/36/189185236.db2.gz BHOSVSVIMNJHNV-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C(CF)CF ZINC000449382824 241886751 /nfs/dbraw/zinc/88/67/51/241886751.db2.gz YXHYXOKEFJIVNX-YHYXMXQVSA-N 1 2 270.279 2.895 20 5 CFBDLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc([N+](=O)[O-])c1 ZINC000456866850 244310333 /nfs/dbraw/zinc/31/03/33/244310333.db2.gz VISGSQHXJOGEHK-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000068477591 374030679 /nfs/dbraw/zinc/03/06/79/374030679.db2.gz BDIMVRMJPNRMMZ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000068477591 374030683 /nfs/dbraw/zinc/03/06/83/374030683.db2.gz BDIMVRMJPNRMMZ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444078 374175381 /nfs/dbraw/zinc/17/53/81/374175381.db2.gz IKWHOTCZVAWOLV-QMMMGPOBSA-N 1 2 264.260 2.641 20 5 CFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000070445347 374178177 /nfs/dbraw/zinc/17/81/77/374178177.db2.gz VBIULBVCBHQANK-MRVPVSSYSA-N 1 2 264.260 2.641 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492089623 246182398 /nfs/dbraw/zinc/18/23/98/246182398.db2.gz VKFVKCFDFPMLLZ-VMPITWQZSA-N 1 2 297.314 2.626 20 5 CFBDLO C[C@H]1OCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000093417824 375232305 /nfs/dbraw/zinc/23/23/05/375232305.db2.gz CWJWZZUOVJMMCJ-MVTQWGDUSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@H]1OCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000093417824 375232310 /nfs/dbraw/zinc/23/23/10/375232310.db2.gz CWJWZZUOVJMMCJ-MVTQWGDUSA-N 1 2 276.336 2.717 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093640133 375279505 /nfs/dbraw/zinc/27/95/05/375279505.db2.gz YDUURTSQVRJIMS-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093640133 375279511 /nfs/dbraw/zinc/27/95/11/375279511.db2.gz YDUURTSQVRJIMS-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634525 247146353 /nfs/dbraw/zinc/14/63/53/247146353.db2.gz HWFAUGJONAIITG-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634525 247146359 /nfs/dbraw/zinc/14/63/59/247146359.db2.gz HWFAUGJONAIITG-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000112532176 375928300 /nfs/dbraw/zinc/92/83/00/375928300.db2.gz UJGIIFBLFCVSCT-RKDXNWHRSA-N 1 2 276.296 2.698 20 5 CFBDLO Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000112552838 375930843 /nfs/dbraw/zinc/93/08/43/375930843.db2.gz GNTYQUIFESDRSE-SNVBAGLBSA-N 1 2 258.281 2.866 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000120891945 376717551 /nfs/dbraw/zinc/71/75/51/376717551.db2.gz RAAUPIRGZHFMSB-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000120891945 376717554 /nfs/dbraw/zinc/71/75/54/376717554.db2.gz RAAUPIRGZHFMSB-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000135412686 378128187 /nfs/dbraw/zinc/12/81/87/378128187.db2.gz QSQOUUWELYGJQN-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC(C)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000135412686 378128195 /nfs/dbraw/zinc/12/81/95/378128195.db2.gz QSQOUUWELYGJQN-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135702076 378159462 /nfs/dbraw/zinc/15/94/62/378159462.db2.gz WCSOBIVLAYYJIR-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135702076 378159466 /nfs/dbraw/zinc/15/94/66/378159466.db2.gz WCSOBIVLAYYJIR-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1[nH]cc[nH+]1 ZINC000139774711 378237382 /nfs/dbraw/zinc/23/73/82/378237382.db2.gz AIKMZVCUYGYBRV-VIFPVBQESA-N 1 2 261.285 2.585 20 5 CFBDLO CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140523234 378238865 /nfs/dbraw/zinc/23/88/65/378238865.db2.gz CHBNTURGLCSTFM-NSHDSACASA-N 1 2 288.307 2.507 20 5 CFBDLO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1[nH]cc[nH+]1 ZINC000140592584 378239763 /nfs/dbraw/zinc/23/97/63/378239763.db2.gz MBPGVGYXENETBW-LLVKDONJSA-N 1 2 288.307 2.507 20 5 CFBDLO CC[C@@H]([NH2+]Cc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000148646857 378259609 /nfs/dbraw/zinc/25/96/09/378259609.db2.gz KZUWFTWHSBJJIJ-CYBMUJFWSA-N 1 2 261.281 2.824 20 5 CFBDLO C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330560332 378583345 /nfs/dbraw/zinc/58/33/45/378583345.db2.gz BJUFLZGKYIDZGJ-JTQLQIEISA-N 1 2 250.298 2.675 20 5 CFBDLO C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330560332 378583356 /nfs/dbraw/zinc/58/33/56/378583356.db2.gz BJUFLZGKYIDZGJ-JTQLQIEISA-N 1 2 250.298 2.675 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000330533278 378580699 /nfs/dbraw/zinc/58/06/99/378580699.db2.gz HVRUDWGRUMGKAU-STQMWFEESA-N 1 2 296.342 2.623 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000330533278 378580702 /nfs/dbraw/zinc/58/07/02/378580702.db2.gz HVRUDWGRUMGKAU-STQMWFEESA-N 1 2 296.342 2.623 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000267017874 190296964 /nfs/dbraw/zinc/29/69/64/190296964.db2.gz JSMBQHUVYUUVPX-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000267017874 190296965 /nfs/dbraw/zinc/29/69/65/190296965.db2.gz JSMBQHUVYUUVPX-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1cc(NCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000173913670 379800093 /nfs/dbraw/zinc/80/00/93/379800093.db2.gz LSLATJQSAHFREF-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000179424419 380541234 /nfs/dbraw/zinc/54/12/34/380541234.db2.gz KCEMULJWZGEQGG-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000179424419 380541237 /nfs/dbraw/zinc/54/12/37/380541237.db2.gz KCEMULJWZGEQGG-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1F ZINC000341344781 380952825 /nfs/dbraw/zinc/95/28/25/380952825.db2.gz UCLMNOOGHICCDM-UHFFFAOYSA-N 1 2 278.239 2.717 20 5 CFBDLO CCC[N@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183294598 381250594 /nfs/dbraw/zinc/25/05/94/381250594.db2.gz RVZLHZMKEAFPNI-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183294598 381250601 /nfs/dbraw/zinc/25/06/01/381250601.db2.gz RVZLHZMKEAFPNI-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO CS[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296408660 381381772 /nfs/dbraw/zinc/38/17/72/381381772.db2.gz UFFNFBYSLWAXQO-VIFPVBQESA-N 1 2 288.319 2.810 20 5 CFBDLO CS[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296408660 381381775 /nfs/dbraw/zinc/38/17/75/381381775.db2.gz UFFNFBYSLWAXQO-VIFPVBQESA-N 1 2 288.319 2.810 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000354939353 381529706 /nfs/dbraw/zinc/52/97/06/381529706.db2.gz VSKZCFVWDHOKDC-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290872981 381582743 /nfs/dbraw/zinc/58/27/43/381582743.db2.gz BDMVOPWQCBUZFK-SNVBAGLBSA-N 1 2 292.314 2.987 20 5 CFBDLO Cn1nccc1C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348411956 381557780 /nfs/dbraw/zinc/55/77/80/381557780.db2.gz USRDOIJTVPMMGW-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348411956 381557783 /nfs/dbraw/zinc/55/77/83/381557783.db2.gz USRDOIJTVPMMGW-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000343595489 381825541 /nfs/dbraw/zinc/82/55/41/381825541.db2.gz BLSJLUPAXIEOML-GFCCVEGCSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000343595489 381825547 /nfs/dbraw/zinc/82/55/47/381825547.db2.gz BLSJLUPAXIEOML-GFCCVEGCSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970639 382099286 /nfs/dbraw/zinc/09/92/86/382099286.db2.gz GOOYAMXHKCKSCR-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970639 382099290 /nfs/dbraw/zinc/09/92/90/382099290.db2.gz GOOYAMXHKCKSCR-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000364040725 382252155 /nfs/dbraw/zinc/25/21/55/382252155.db2.gz ZAYATFXZHFTSHD-NSHDSACASA-N 1 2 294.261 2.938 20 5 CFBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000294202529 382458388 /nfs/dbraw/zinc/45/83/88/382458388.db2.gz SZUUVBXFLHJNTD-CMPLNLGQSA-N 1 2 272.308 2.587 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000294888445 382539953 /nfs/dbraw/zinc/53/99/53/382539953.db2.gz CTJFQIZITFQAOX-UHFFFAOYSA-N 1 2 288.307 2.626 20 5 CFBDLO C[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336830146 382725842 /nfs/dbraw/zinc/72/58/42/382725842.db2.gz BNHICMOFYQMTSQ-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336830146 382725843 /nfs/dbraw/zinc/72/58/43/382725843.db2.gz BNHICMOFYQMTSQ-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000339082981 383142376 /nfs/dbraw/zinc/14/23/76/383142376.db2.gz ZWYDMANWWYLEPE-INIZCTEOSA-N 1 2 299.330 2.936 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247511106 383180754 /nfs/dbraw/zinc/18/07/54/383180754.db2.gz JRHNDQJHWIPHQV-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247511106 383180759 /nfs/dbraw/zinc/18/07/59/383180759.db2.gz JRHNDQJHWIPHQV-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247408014 383170674 /nfs/dbraw/zinc/17/06/74/383170674.db2.gz CANRWYCPSZRTLW-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247408014 383170677 /nfs/dbraw/zinc/17/06/77/383170677.db2.gz CANRWYCPSZRTLW-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C(CF)CF ZINC000449382823 383252820 /nfs/dbraw/zinc/25/28/20/383252820.db2.gz YXHYXOKEFJIVNX-BJMVGYQFSA-N 1 2 270.279 2.895 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339810468 383326078 /nfs/dbraw/zinc/32/60/78/383326078.db2.gz CLTHOGBQUJRMJN-HNNXBMFYSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339810468 383326082 /nfs/dbraw/zinc/32/60/82/383326082.db2.gz CLTHOGBQUJRMJN-HNNXBMFYSA-N 1 2 294.351 2.547 20 5 CFBDLO CC[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255404879 383481323 /nfs/dbraw/zinc/48/13/23/383481323.db2.gz AXKZHAMCCAEZPK-BRLPQQTGSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255404879 383481326 /nfs/dbraw/zinc/48/13/26/383481326.db2.gz AXKZHAMCCAEZPK-BRLPQQTGSA-N 1 2 276.336 2.719 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000450828046 383507522 /nfs/dbraw/zinc/50/75/22/383507522.db2.gz JDYSBCQBHBESJO-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000450827481 383507555 /nfs/dbraw/zinc/50/75/55/383507555.db2.gz HZLNQQCFUMTEQS-JTQLQIEISA-N 1 2 260.297 2.984 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000450828477 383507877 /nfs/dbraw/zinc/50/78/77/383507877.db2.gz KOTVCEQDGRVQAV-LLVKDONJSA-N 1 2 289.339 2.996 20 5 CFBDLO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280937662 195037508 /nfs/dbraw/zinc/03/75/08/195037508.db2.gz VRMVOSNHCNWDTH-GFCCVEGCSA-N 1 2 289.335 2.574 20 5 CFBDLO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280937662 195037510 /nfs/dbraw/zinc/03/75/10/195037510.db2.gz VRMVOSNHCNWDTH-GFCCVEGCSA-N 1 2 289.335 2.574 20 5 CFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C)cc1 ZINC000531344267 383853084 /nfs/dbraw/zinc/85/30/84/383853084.db2.gz XJSKTAPQQPCGFU-UHFFFAOYSA-N 1 2 288.351 2.659 20 5 CFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C)cc1 ZINC000531344267 383853097 /nfs/dbraw/zinc/85/30/97/383853097.db2.gz XJSKTAPQQPCGFU-UHFFFAOYSA-N 1 2 288.351 2.659 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@@H](C)O1 ZINC000438364399 383995507 /nfs/dbraw/zinc/99/55/07/383995507.db2.gz NVJMUTZHAQVUNY-GMTAPVOTSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@@H](C)O1 ZINC000438364399 383995508 /nfs/dbraw/zinc/99/55/08/383995508.db2.gz NVJMUTZHAQVUNY-GMTAPVOTSA-N 1 2 282.315 2.732 20 5 CFBDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000574171359 384057573 /nfs/dbraw/zinc/05/75/73/384057573.db2.gz WHCYVHHPDAMOCY-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000574171359 384057581 /nfs/dbraw/zinc/05/75/81/384057581.db2.gz WHCYVHHPDAMOCY-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1nn(CCCc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000574281622 384073400 /nfs/dbraw/zinc/07/34/00/384073400.db2.gz HFKPLXYMQCFORZ-UHFFFAOYSA-N 1 2 285.307 2.609 20 5 CFBDLO COc1cc(NCCc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000413354416 533033546 /nfs/dbraw/zinc/03/35/46/533033546.db2.gz QTDBWKYJJZDWRQ-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000281107935 195106618 /nfs/dbraw/zinc/10/66/18/195106618.db2.gz NBHXDHSUXZOXCY-CABCVRRESA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000281107935 195106620 /nfs/dbraw/zinc/10/66/20/195106620.db2.gz NBHXDHSUXZOXCY-CABCVRRESA-N 1 2 276.336 2.657 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCSCC1 ZINC000266922895 285117023 /nfs/dbraw/zinc/11/70/23/285117023.db2.gz PRGXFVQDHJXZPM-UHFFFAOYSA-N 1 2 272.757 2.797 20 5 CFBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269841765 384880421 /nfs/dbraw/zinc/88/04/21/384880421.db2.gz CFYNQACLRSYXOP-AWEZNQCLSA-N 1 2 298.346 2.989 20 5 CFBDLO COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000271136681 385347432 /nfs/dbraw/zinc/34/74/32/385347432.db2.gz NGTDAQNLOWRPHE-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC000282840223 385398143 /nfs/dbraw/zinc/39/81/43/385398143.db2.gz SSFZBDBLVYZWFO-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283229246 385448768 /nfs/dbraw/zinc/44/87/68/385448768.db2.gz UBLHODPDHRICIO-CYBMUJFWSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283229246 385448769 /nfs/dbraw/zinc/44/87/69/385448769.db2.gz UBLHODPDHRICIO-CYBMUJFWSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000283812695 385502785 /nfs/dbraw/zinc/50/27/85/385502785.db2.gz BSFASDYGHDBGKP-UHFFFAOYSA-N 1 2 290.323 2.620 20 5 CFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000286537448 385643379 /nfs/dbraw/zinc/64/33/79/385643379.db2.gz UCCPTSSBGBLGIW-UHFFFAOYSA-N 1 2 256.252 2.857 20 5 CFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC1 ZINC000286537448 385643383 /nfs/dbraw/zinc/64/33/83/385643383.db2.gz UCCPTSSBGBLGIW-UHFFFAOYSA-N 1 2 256.252 2.857 20 5 CFBDLO Cc1ccnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000342298672 130427453 /nfs/dbraw/zinc/42/74/53/130427453.db2.gz VLQQBBARVZQDAY-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000029951599 393505069 /nfs/dbraw/zinc/50/50/69/393505069.db2.gz KOFSFMONBBUQLL-UHFFFAOYSA-N 1 2 298.258 2.626 20 5 CFBDLO CC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000331990503 393560178 /nfs/dbraw/zinc/56/01/78/393560178.db2.gz PIPBDBLVMKCOCW-SNVBAGLBSA-N 1 2 268.288 2.727 20 5 CFBDLO CC[C@@H]1CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000331990503 393560187 /nfs/dbraw/zinc/56/01/87/393560187.db2.gz PIPBDBLVMKCOCW-SNVBAGLBSA-N 1 2 268.288 2.727 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cncs1)C2 ZINC000093443669 393798848 /nfs/dbraw/zinc/79/88/48/393798848.db2.gz KOLORRRKWXTEFH-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cncs1)C2 ZINC000093443669 393798852 /nfs/dbraw/zinc/79/88/52/393798852.db2.gz KOLORRRKWXTEFH-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430195627 393966234 /nfs/dbraw/zinc/96/62/34/393966234.db2.gz ORRCEMQRQHFZMM-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430195627 393966237 /nfs/dbraw/zinc/96/62/37/393966237.db2.gz ORRCEMQRQHFZMM-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000268261966 393990939 /nfs/dbraw/zinc/99/09/39/393990939.db2.gz MRIJOPGNLFOMJL-IUODEOHRSA-N 1 2 286.335 2.879 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000451185325 394365847 /nfs/dbraw/zinc/36/58/47/394365847.db2.gz LKIUOTODOBLBFM-GFCCVEGCSA-N 1 2 282.315 2.926 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](F)C1 ZINC000451185325 394365848 /nfs/dbraw/zinc/36/58/48/394365848.db2.gz LKIUOTODOBLBFM-GFCCVEGCSA-N 1 2 282.315 2.926 20 5 CFBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000535677092 394538311 /nfs/dbraw/zinc/53/83/11/394538311.db2.gz WCOGGFBHIUAIRS-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000535677092 394538315 /nfs/dbraw/zinc/53/83/15/394538315.db2.gz WCOGGFBHIUAIRS-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000345352507 397655384 /nfs/dbraw/zinc/65/53/84/397655384.db2.gz JPHGRCBRRMYMOD-GXSJLCMTSA-N 1 2 258.281 2.909 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000356861551 155398567 /nfs/dbraw/zinc/39/85/67/155398567.db2.gz OMDSOXHCKHJEGC-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO CC(C)c1ccc(C[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000345820956 154275129 /nfs/dbraw/zinc/27/51/29/154275129.db2.gz CUZUWLOFHZSUQJ-UHFFFAOYSA-N 1 2 288.351 2.742 20 5 CFBDLO CC(C)[N@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355557997 155040584 /nfs/dbraw/zinc/04/05/84/155040584.db2.gz TYMWDXJHOCENCK-UHFFFAOYSA-N 1 2 294.380 2.800 20 5 CFBDLO CC(C)[N@@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355557997 155040586 /nfs/dbraw/zinc/04/05/86/155040586.db2.gz TYMWDXJHOCENCK-UHFFFAOYSA-N 1 2 294.380 2.800 20 5 CFBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367722394 156381580 /nfs/dbraw/zinc/38/15/80/156381580.db2.gz LKWIVIPVVVLOAE-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367722394 156381584 /nfs/dbraw/zinc/38/15/84/156381584.db2.gz LKWIVIPVVVLOAE-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1cc(OCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000349829064 163022026 /nfs/dbraw/zinc/02/20/26/163022026.db2.gz AJMZEEXXFDXODV-UHFFFAOYSA-N 1 2 281.699 2.869 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccnn1C ZINC000350032008 163052569 /nfs/dbraw/zinc/05/25/69/163052569.db2.gz AAQCNNMQACSLBU-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccnn1C ZINC000350032008 163052572 /nfs/dbraw/zinc/05/25/72/163052572.db2.gz AAQCNNMQACSLBU-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778636 163233365 /nfs/dbraw/zinc/23/33/65/163233365.db2.gz LMHFLWKDACHMFF-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778636 163233366 /nfs/dbraw/zinc/23/33/66/163233366.db2.gz LMHFLWKDACHMFF-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000016445174 170697699 /nfs/dbraw/zinc/69/76/99/170697699.db2.gz XJCUPNWMUMRHEU-SECBINFHSA-N 1 2 297.742 2.671 20 5 CFBDLO Cc1cc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)ncc1[N+](=O)[O-] ZINC000285495768 196304092 /nfs/dbraw/zinc/30/40/92/196304092.db2.gz DZGKKGUHEDIBKW-GFCCVEGCSA-N 1 2 275.312 2.831 20 5 CFBDLO COc1ccc(C[NH2+]Cc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000038091673 174105822 /nfs/dbraw/zinc/10/58/22/174105822.db2.gz FIUIKHZBVHMHDK-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1 ZINC000071856511 176278605 /nfs/dbraw/zinc/27/86/05/176278605.db2.gz ULXWHXYGLHATCA-UHFFFAOYSA-N 1 2 261.281 2.627 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296673761 263195375 /nfs/dbraw/zinc/19/53/75/263195375.db2.gz HGRDEVTZNBLLSN-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO CC1(C)C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000330738503 278369464 /nfs/dbraw/zinc/36/94/64/278369464.db2.gz NQPRYLKTQOFWMC-CYBMUJFWSA-N 1 2 294.351 2.736 20 5 CFBDLO Cc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507172762 279152060 /nfs/dbraw/zinc/15/20/60/279152060.db2.gz HXOZBHGWSGXSHO-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000507172762 279152061 /nfs/dbraw/zinc/15/20/61/279152061.db2.gz HXOZBHGWSGXSHO-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000281237060 281171574 /nfs/dbraw/zinc/17/15/74/281171574.db2.gz LKGPKROBQWEUDU-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000281237060 281171576 /nfs/dbraw/zinc/17/15/76/281171576.db2.gz LKGPKROBQWEUDU-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccc([N+](=O)[O-])cc1 ZINC000398435819 281206162 /nfs/dbraw/zinc/20/61/62/281206162.db2.gz XEFRRGOMYBPHFO-BDAKNGLRSA-N 1 2 278.337 2.858 20 5 CFBDLO CC(C)c1ccc(C[NH2+]Cc2ncccn2)cc1[N+](=O)[O-] ZINC000565727321 290320339 /nfs/dbraw/zinc/32/03/39/290320339.db2.gz HKOMYMQUXQHFMB-UHFFFAOYSA-N 1 2 286.335 2.798 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000163251591 322374773 /nfs/dbraw/zinc/37/47/73/322374773.db2.gz PDXAXMZDZVKDQU-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccon1 ZINC000573458450 322657389 /nfs/dbraw/zinc/65/73/89/322657389.db2.gz SSNDUTHOPNQHOH-ZANVPECISA-N 1 2 273.292 2.921 20 5 CFBDLO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000582159003 325181223 /nfs/dbraw/zinc/18/12/23/325181223.db2.gz XZKMHHZTMJHCFS-LBPRGKRZSA-N 1 2 299.330 2.771 20 5 CFBDLO C[C@H]([NH2+]Cc1nc(C(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000425458465 533944538 /nfs/dbraw/zinc/94/45/38/533944538.db2.gz MGQGURBDXWRSQB-ZETCQYMHSA-N 1 2 298.249 2.766 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000065541495 520768805 /nfs/dbraw/zinc/76/88/05/520768805.db2.gz DTZHTPSTHGSKQQ-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000065541495 520768816 /nfs/dbraw/zinc/76/88/16/520768816.db2.gz DTZHTPSTHGSKQQ-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CC[C@@H]([NH2+]Cc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000192161703 522894746 /nfs/dbraw/zinc/89/47/46/522894746.db2.gz FMCMNRDIIWYESM-CYBMUJFWSA-N 1 2 272.308 2.626 20 5 CFBDLO Cc1cccc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000338645690 524683502 /nfs/dbraw/zinc/68/35/02/524683502.db2.gz RHBZZMCAVIKBDF-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)n1 ZINC000360884082 526065116 /nfs/dbraw/zinc/06/51/16/526065116.db2.gz NEYWVDSCORTMHZ-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccnc1)CC2 ZINC000088606662 527378771 /nfs/dbraw/zinc/37/87/71/527378771.db2.gz JSSXQMCPNUGYTJ-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccnc1)CC2 ZINC000088606662 527378778 /nfs/dbraw/zinc/37/87/78/527378778.db2.gz JSSXQMCPNUGYTJ-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO Cn1cc[nH+]c1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051921957 527437973 /nfs/dbraw/zinc/43/79/73/527437973.db2.gz NESBMWAHSUBJKW-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO CC1(C)[C@H](O)C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413253421 527888578 /nfs/dbraw/zinc/88/85/78/527888578.db2.gz UVRIWTKPCPGLJX-QWHCGFSZSA-N 1 2 287.319 2.714 20 5 CFBDLO Cc1cc2c(cc1[N+](=O)[O-])N(CCCn1cc[nH+]c1)CC2 ZINC000754109143 574073878 /nfs/dbraw/zinc/07/38/78/574073878.db2.gz JBOZNJIOZWCTHZ-UHFFFAOYSA-N 1 2 286.335 2.553 20 5 CFBDLO CN(C)c1cc(CN2CCc3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000754597859 574107575 /nfs/dbraw/zinc/10/75/75/574107575.db2.gz JSBBIYAFTLKGNW-UHFFFAOYSA-N 1 2 298.346 2.619 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586987 619424655 /nfs/dbraw/zinc/42/46/55/619424655.db2.gz XTEWXJCTQNZGMX-XYOKQWHBSA-N 1 2 286.335 2.853 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncc[nH]1 ZINC000894586987 619424657 /nfs/dbraw/zinc/42/46/57/619424657.db2.gz XTEWXJCTQNZGMX-XYOKQWHBSA-N 1 2 286.335 2.853 20 5 CFBDLO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230771 620053260 /nfs/dbraw/zinc/05/32/60/620053260.db2.gz PEJNUIYVWIZGOH-GXFFZTMASA-N 1 2 289.339 2.525 20 5 CFBDLO CC[C@@H]([NH2+][C@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230774 620053310 /nfs/dbraw/zinc/05/33/10/620053310.db2.gz PEJNUIYVWIZGOH-ZWNOBZJWSA-N 1 2 289.339 2.525 20 5 CFBDLO COCCC1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000826899324 623905531 /nfs/dbraw/zinc/90/55/31/623905531.db2.gz KFQDDJSXOZDLHE-UHFFFAOYSA-N 1 2 284.743 2.717 20 5 CFBDLO Cc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922581334 626316703 /nfs/dbraw/zinc/31/67/03/626316703.db2.gz HYPLMCDRFNPUDR-OAHLLOKOSA-N 1 2 298.346 2.934 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922583535 626317870 /nfs/dbraw/zinc/31/78/70/626317870.db2.gz UVBAJHWLRUKVRE-AWEZNQCLSA-N 1 2 284.319 2.626 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCCOC3)cc1Cl ZINC000839138701 626528313 /nfs/dbraw/zinc/52/83/13/626528313.db2.gz RXHHGHGYTHANAM-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO COc1cc(C)[nH+]c(CN2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000769562988 627456538 /nfs/dbraw/zinc/45/65/38/627456538.db2.gz PFDFERRLMGTFSB-UHFFFAOYSA-N 1 2 299.330 2.870 20 5 CFBDLO Cc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770056601 627498888 /nfs/dbraw/zinc/49/88/88/627498888.db2.gz DRGVLKYHQPRRDM-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000789547047 629165098 /nfs/dbraw/zinc/16/50/98/629165098.db2.gz XSSHCVAVUSHIME-UHFFFAOYSA-N 1 2 284.319 2.538 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000789547047 629165101 /nfs/dbraw/zinc/16/51/01/629165101.db2.gz XSSHCVAVUSHIME-UHFFFAOYSA-N 1 2 284.319 2.538 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000791051648 629283832 /nfs/dbraw/zinc/28/38/32/629283832.db2.gz HPSRPUFXCLOBBL-GFCCVEGCSA-N 1 2 299.168 2.863 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000791051648 629283834 /nfs/dbraw/zinc/28/38/34/629283834.db2.gz HPSRPUFXCLOBBL-GFCCVEGCSA-N 1 2 299.168 2.863 20 5 CFBDLO NC(=[NH+]OCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000808244376 630970472 /nfs/dbraw/zinc/97/04/72/630970472.db2.gz XIKCQAUARZLFDP-UHFFFAOYSA-N 1 2 285.303 2.684 20 5 CFBDLO Cc1nn(C[NH+]2CCC(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000853536145 635030459 /nfs/dbraw/zinc/03/04/59/635030459.db2.gz MUDJKTKQRRKKLT-UHFFFAOYSA-N 1 2 278.356 2.569 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927485 638661118 /nfs/dbraw/zinc/66/11/18/638661118.db2.gz CIBLJVCLZDNNJG-VIFPVBQESA-N 1 2 273.333 2.502 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927485 638661119 /nfs/dbraw/zinc/66/11/19/638661119.db2.gz CIBLJVCLZDNNJG-VIFPVBQESA-N 1 2 273.333 2.502 20 5 CFBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880104837 644533998 /nfs/dbraw/zinc/53/39/98/644533998.db2.gz GFRBQVYUYWPSIX-JTQLQIEISA-N 1 2 290.298 2.683 20 5 CFBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880109296 644535378 /nfs/dbraw/zinc/53/53/78/644535378.db2.gz VTGZTVRCNWTIQI-SNVBAGLBSA-N 1 2 290.298 2.683 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880470897 644725402 /nfs/dbraw/zinc/72/54/02/644725402.db2.gz QYGKBIKFIJMDSS-SMDDNHRTSA-N 1 2 294.351 2.595 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)co1 ZINC000885969322 646788865 /nfs/dbraw/zinc/78/88/65/646788865.db2.gz OLQGTYCENZYGAN-UHFFFAOYSA-N 1 2 276.292 2.795 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348743 646982082 /nfs/dbraw/zinc/98/20/82/646982082.db2.gz RSVJGMVUBSTCHG-AOOOYVTPSA-N 1 2 297.152 2.809 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886348743 646982085 /nfs/dbraw/zinc/98/20/85/646982085.db2.gz RSVJGMVUBSTCHG-AOOOYVTPSA-N 1 2 297.152 2.809 20 5 CFBDLO C[N@H+](CCCF)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000887142688 647229532 /nfs/dbraw/zinc/22/95/32/647229532.db2.gz WMRATBQVCQWQNW-UHFFFAOYSA-N 1 2 262.231 2.664 20 5 CFBDLO C[N@@H+](CCCF)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000887142688 647229536 /nfs/dbraw/zinc/22/95/36/647229536.db2.gz WMRATBQVCQWQNW-UHFFFAOYSA-N 1 2 262.231 2.664 20 5 CFBDLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926493621 648508943 /nfs/dbraw/zinc/50/89/43/648508943.db2.gz WLTNAJDXUVWPON-IUCAKERBSA-N 1 2 276.296 2.698 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000930207595 649206633 /nfs/dbraw/zinc/20/66/33/649206633.db2.gz BFRMQTSUFKYEOD-QWRGUYRKSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1c(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456547 649430955 /nfs/dbraw/zinc/43/09/55/649430955.db2.gz QXMBBJQZYKTWFT-SNVBAGLBSA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1c(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456547 649430958 /nfs/dbraw/zinc/43/09/58/649430958.db2.gz QXMBBJQZYKTWFT-SNVBAGLBSA-N 1 2 286.335 2.746 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347101 649581081 /nfs/dbraw/zinc/58/10/81/649581081.db2.gz VEXQGGOJUAZYAI-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347101 649581083 /nfs/dbraw/zinc/58/10/83/649581083.db2.gz VEXQGGOJUAZYAI-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CC(C)[NH+]1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225619643 775526469 /nfs/dbraw/zinc/52/64/69/775526469.db2.gz GKTGWUVVIUVQDZ-UHFFFAOYSA-N 1 2 280.324 2.552 20 5 CFBDLO CC[NH+]1CC(Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234871767 778318499 /nfs/dbraw/zinc/31/84/99/778318499.db2.gz MTLSNQJLYJJEII-UHFFFAOYSA-N 1 2 264.325 2.603 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC001168309927 778421549 /nfs/dbraw/zinc/42/15/49/778421549.db2.gz QEMFKXVCNGABRR-WDEREUQCSA-N 1 2 286.253 2.821 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC001168309927 778421555 /nfs/dbraw/zinc/42/15/55/778421555.db2.gz QEMFKXVCNGABRR-WDEREUQCSA-N 1 2 286.253 2.821 20 5 CFBDLO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591225 349453668 /nfs/dbraw/zinc/45/36/68/349453668.db2.gz IGKUVLNTHRHIQT-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591225 349453671 /nfs/dbraw/zinc/45/36/71/349453671.db2.gz IGKUVLNTHRHIQT-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cscn1 ZINC000594965375 349533514 /nfs/dbraw/zinc/53/35/14/349533514.db2.gz FZYAXTWITIKZPU-ZETCQYMHSA-N 1 2 269.351 2.964 20 5 CFBDLO COc1cccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595412453 349619145 /nfs/dbraw/zinc/61/91/45/349619145.db2.gz ZVLRRZFEASJVRE-SECBINFHSA-N 1 2 291.307 2.751 20 5 CFBDLO Cc1noc(C[NH2+]C2(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000595417621 349619686 /nfs/dbraw/zinc/61/96/86/349619686.db2.gz JLAFQIVEVFWYMY-UHFFFAOYSA-N 1 2 291.282 2.809 20 5 CFBDLO Cc1noc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000595428719 349623554 /nfs/dbraw/zinc/62/35/54/349623554.db2.gz JMFLZMXHRMZCHY-SECBINFHSA-N 1 2 293.327 2.519 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])cn3)cn21 ZINC000068772183 346868568 /nfs/dbraw/zinc/86/85/68/346868568.db2.gz XEBYBQSNSJYQIA-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])co1 ZINC000595512841 349647757 /nfs/dbraw/zinc/64/77/57/349647757.db2.gz WEZJLSMGMOBHCR-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000595558648 349659032 /nfs/dbraw/zinc/65/90/32/349659032.db2.gz OHSGNFLUMOWZJS-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000595558648 349659034 /nfs/dbraw/zinc/65/90/34/349659034.db2.gz OHSGNFLUMOWZJS-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO COCC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000595908085 349766686 /nfs/dbraw/zinc/76/66/86/349766686.db2.gz FQEKXLNDWLFLKQ-UHFFFAOYSA-N 1 2 294.351 2.739 20 5 CFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000596245804 349838893 /nfs/dbraw/zinc/83/88/93/349838893.db2.gz ALVVXLVZKHOOTI-NXEZZACHSA-N 1 2 257.293 2.988 20 5 CFBDLO C[C@@]12COC[C@@H]1CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596481501 349915108 /nfs/dbraw/zinc/91/51/08/349915108.db2.gz YGDQXZXGWLMCPP-BLLLJJGKSA-N 1 2 299.330 2.616 20 5 CFBDLO Cc1c(C[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000051114782 346499775 /nfs/dbraw/zinc/49/97/75/346499775.db2.gz ZRBZJVOKKCIRAW-GHMZBOCLSA-N 1 2 264.325 2.512 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1[nH+]ccn1C ZINC000057620376 346632970 /nfs/dbraw/zinc/63/29/70/346632970.db2.gz XPAALSZGFAJBSB-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nccn1C ZINC000057620376 346632972 /nfs/dbraw/zinc/63/29/72/346632972.db2.gz XPAALSZGFAJBSB-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nccn1C ZINC000057620376 346632975 /nfs/dbraw/zinc/63/29/75/346632975.db2.gz XPAALSZGFAJBSB-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC(F)(F)F)CC2 ZINC000088605776 347506200 /nfs/dbraw/zinc/50/62/00/347506200.db2.gz YEYVJPDCYOXLKP-UHFFFAOYSA-N 1 2 274.242 2.905 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC(F)(F)F)CC2 ZINC000088605776 347506202 /nfs/dbraw/zinc/50/62/02/347506202.db2.gz YEYVJPDCYOXLKP-UHFFFAOYSA-N 1 2 274.242 2.905 20 5 CFBDLO CC[C@H](C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091795994 347599967 /nfs/dbraw/zinc/59/99/67/347599967.db2.gz ZZNGNJAPRJHNBY-JTQLQIEISA-N 1 2 252.314 2.778 20 5 CFBDLO CC[C@H](C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091795994 347599970 /nfs/dbraw/zinc/59/99/70/347599970.db2.gz ZZNGNJAPRJHNBY-JTQLQIEISA-N 1 2 252.314 2.778 20 5 CFBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])cn3)[nH+]c12 ZINC000092826080 347648634 /nfs/dbraw/zinc/64/86/34/347648634.db2.gz ARKVFXYHVMJSQT-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000093442905 347674563 /nfs/dbraw/zinc/67/45/63/347674563.db2.gz IYDRDEGXCBITJA-PHIMTYICSA-N 1 2 262.309 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000093442905 347674565 /nfs/dbraw/zinc/67/45/65/347674565.db2.gz IYDRDEGXCBITJA-PHIMTYICSA-N 1 2 262.309 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000093455768 347675226 /nfs/dbraw/zinc/67/52/26/347675226.db2.gz PWONABAWZXLZHB-UHFFFAOYSA-N 1 2 262.309 2.676 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000093455768 347675227 /nfs/dbraw/zinc/67/52/27/347675227.db2.gz PWONABAWZXLZHB-UHFFFAOYSA-N 1 2 262.309 2.676 20 5 CFBDLO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498129 347677340 /nfs/dbraw/zinc/67/73/40/347677340.db2.gz GVEBQYCVMFOHTI-QWRGUYRKSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498129 347677342 /nfs/dbraw/zinc/67/73/42/347677342.db2.gz GVEBQYCVMFOHTI-QWRGUYRKSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cccnc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093215277 347666229 /nfs/dbraw/zinc/66/62/29/347666229.db2.gz NIJZDWHYUAUYLA-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccnc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093215277 347666231 /nfs/dbraw/zinc/66/62/31/347666231.db2.gz NIJZDWHYUAUYLA-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093340005 347669850 /nfs/dbraw/zinc/66/98/50/347669850.db2.gz XVINLORZEVNWAP-CYBMUJFWSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093340005 347669852 /nfs/dbraw/zinc/66/98/52/347669852.db2.gz XVINLORZEVNWAP-CYBMUJFWSA-N 1 2 294.351 2.547 20 5 CFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000139926262 347922914 /nfs/dbraw/zinc/92/29/14/347922914.db2.gz JXALUBYCIIBFHM-SSDOTTSWSA-N 1 2 250.233 2.630 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH+]cn1C ZINC000290534245 348352434 /nfs/dbraw/zinc/35/24/34/348352434.db2.gz ADAOOSQYZKTQDZ-UHFFFAOYSA-N 1 2 280.715 2.902 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCc2ccc(C)c[nH+]2)c1 ZINC000413350654 233057305 /nfs/dbraw/zinc/05/73/05/233057305.db2.gz XINVTHIDQYOJNM-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058519 349197428 /nfs/dbraw/zinc/19/74/28/349197428.db2.gz NJLWUDQPTMGTRE-JSGCOSHPSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593058519 349197430 /nfs/dbraw/zinc/19/74/30/349197430.db2.gz NJLWUDQPTMGTRE-JSGCOSHPSA-N 1 2 294.351 2.690 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCSCC1 ZINC000599026311 350360914 /nfs/dbraw/zinc/36/09/14/350360914.db2.gz UEPNYAXHVZOKJY-UHFFFAOYSA-N 1 2 275.333 2.696 20 5 CFBDLO C[C@@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOC1 ZINC000599043798 350364399 /nfs/dbraw/zinc/36/43/99/350364399.db2.gz LXIQWAMNZSUCAO-HNNXBMFYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000092017315 180308080 /nfs/dbraw/zinc/30/80/80/180308080.db2.gz JEFRSIBOBZFSSA-MVTQWGDUSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000092017315 180308083 /nfs/dbraw/zinc/30/80/83/180308083.db2.gz JEFRSIBOBZFSSA-MVTQWGDUSA-N 1 2 276.336 2.717 20 5 CFBDLO O=[N+]([O-])c1c(NCCC2CC(O)C2)ccc2c[nH+]ccc21 ZINC000599073759 350371588 /nfs/dbraw/zinc/37/15/88/350371588.db2.gz NEUHMDBFUCUISP-UHFFFAOYSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1c(NCC2=CCOCC2)ccc2c[nH+]ccc21 ZINC000599083480 350372741 /nfs/dbraw/zinc/37/27/41/350372741.db2.gz NHRCZJZNMMBBOX-UHFFFAOYSA-N 1 2 285.303 2.902 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]2C[C@@H]2C1 ZINC000599110029 350377271 /nfs/dbraw/zinc/37/72/71/350377271.db2.gz CNYIZXBSUSOUPS-ZYHUDNBSSA-N 1 2 269.304 2.989 20 5 CFBDLO CO[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599192774 350393417 /nfs/dbraw/zinc/39/34/17/350393417.db2.gz HKWZZVHKDYETEB-UMSPYCQHSA-N 1 2 273.292 2.732 20 5 CFBDLO CO[C@H]1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599206085 350396470 /nfs/dbraw/zinc/39/64/70/350396470.db2.gz NGSPHSGTDHEXNT-GSJFWJNXSA-N 1 2 287.319 2.980 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641612 350470640 /nfs/dbraw/zinc/47/06/40/350470640.db2.gz JFGKUSFVQQPTAU-RYUDHWBXSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641612 350470643 /nfs/dbraw/zinc/47/06/43/350470643.db2.gz JFGKUSFVQQPTAU-RYUDHWBXSA-N 1 2 282.315 2.716 20 5 CFBDLO Cc1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000600164331 350525998 /nfs/dbraw/zinc/52/59/98/350525998.db2.gz GXASBUSBOXDRKC-UHFFFAOYSA-N 1 2 299.330 2.561 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000601198618 350694889 /nfs/dbraw/zinc/69/48/89/350694889.db2.gz ZDIWICNTNOSYGD-UHFFFAOYSA-N 1 2 289.339 2.650 20 5 CFBDLO C[C@H](Nc1ccsc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000601198689 350695106 /nfs/dbraw/zinc/69/51/06/350695106.db2.gz FOIAIFQEKSRAPV-ZETCQYMHSA-N 1 2 252.299 2.563 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111276022 186387140 /nfs/dbraw/zinc/38/71/40/186387140.db2.gz DRNOYAMJLZZISV-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111276022 186387142 /nfs/dbraw/zinc/38/71/42/186387142.db2.gz DRNOYAMJLZZISV-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000602488007 350904246 /nfs/dbraw/zinc/90/42/46/350904246.db2.gz YBTKTRDFONPXRM-SMDDNHRTSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000602488007 350904250 /nfs/dbraw/zinc/90/42/50/350904250.db2.gz YBTKTRDFONPXRM-SMDDNHRTSA-N 1 2 286.335 2.521 20 5 CFBDLO Cc1cc(N2CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508411 351216173 /nfs/dbraw/zinc/21/61/73/351216173.db2.gz ZNCSQFKFQKMTJA-LLVKDONJSA-N 1 2 284.319 2.959 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)on1 ZINC000604539173 351217899 /nfs/dbraw/zinc/21/78/99/351217899.db2.gz QRHYRMSNLYFCDQ-UHFFFAOYSA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000611271353 351661415 /nfs/dbraw/zinc/66/14/15/351661415.db2.gz VCKRMGVODRDHBS-NSHDSACASA-N 1 2 288.303 2.883 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000611271353 351661417 /nfs/dbraw/zinc/66/14/17/351661417.db2.gz VCKRMGVODRDHBS-NSHDSACASA-N 1 2 288.303 2.883 20 5 CFBDLO Cc1cccc(Oc2cc(-n3cc[nH+]c3)ncn2)c1[N+](=O)[O-] ZINC000611112907 351641169 /nfs/dbraw/zinc/64/11/69/351641169.db2.gz DYZNMMZQGGLNJR-UHFFFAOYSA-N 1 2 297.274 2.671 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000611179539 351648292 /nfs/dbraw/zinc/64/82/92/351648292.db2.gz DVUFGLQMHYTNML-UHFFFAOYSA-N 1 2 268.263 2.826 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccno2)C2CC2)c1 ZINC000610865249 351617465 /nfs/dbraw/zinc/61/74/65/351617465.db2.gz LNNIBAKANLZHSN-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccno2)C2CC2)c1 ZINC000610865249 351617466 /nfs/dbraw/zinc/61/74/66/351617466.db2.gz LNNIBAKANLZHSN-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO CN(C)c1ccc(CNc2sccc2[N+](=O)[O-])c[nH+]1 ZINC000611411457 351685010 /nfs/dbraw/zinc/68/50/10/351685010.db2.gz BOVACZOYCYGHNH-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCCNc1cccc[nH+]1 ZINC000611411127 351685296 /nfs/dbraw/zinc/68/52/96/351685296.db2.gz RTCBRDDTMPWQSI-UHFFFAOYSA-N 1 2 264.310 2.575 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCCCCn1cc[nH+]c1 ZINC000611509792 351702082 /nfs/dbraw/zinc/70/20/82/351702082.db2.gz CGQJDTMRSQYLIT-UHFFFAOYSA-N 1 2 266.326 2.745 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271540090 191200210 /nfs/dbraw/zinc/20/02/10/191200210.db2.gz QQYXURKTYPNSEM-UWVGGRQHSA-N 1 2 289.339 2.687 20 5 CFBDLO CC(C)c1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180412572 189254085 /nfs/dbraw/zinc/25/40/85/189254085.db2.gz HCHPTYWHUZXRES-JTQLQIEISA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cc(NCc2cn3c(cccc3C)[nH+]2)ncc1[N+](=O)[O-] ZINC000301441129 201009363 /nfs/dbraw/zinc/00/93/63/201009363.db2.gz OOYROTHGXLCWSS-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446071539 241270181 /nfs/dbraw/zinc/27/01/81/241270181.db2.gz JSCBBOAZRJHHHE-WOPDTQHZSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000446071539 241270186 /nfs/dbraw/zinc/27/01/86/241270186.db2.gz JSCBBOAZRJHHHE-WOPDTQHZSA-N 1 2 264.325 2.593 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449698542 242111527 /nfs/dbraw/zinc/11/15/27/242111527.db2.gz NZJVISPEUWKSCU-UHFFFAOYSA-N 1 2 273.292 2.750 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330691809 203122946 /nfs/dbraw/zinc/12/29/46/203122946.db2.gz BKVGBEILBQQULB-OAHLLOKOSA-N 1 2 278.352 2.760 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330691809 203122948 /nfs/dbraw/zinc/12/29/48/203122948.db2.gz BKVGBEILBQQULB-OAHLLOKOSA-N 1 2 278.352 2.760 20 5 CFBDLO CC[C@H]([NH2+][C@@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000037017019 372633130 /nfs/dbraw/zinc/63/31/30/372633130.db2.gz JYWLFRGRELZGIS-GWCFXTLKSA-N 1 2 289.339 2.525 20 5 CFBDLO CNc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000042739427 372951879 /nfs/dbraw/zinc/95/18/79/372951879.db2.gz FRRKJEYJWPKWGK-UHFFFAOYSA-N 1 2 262.244 2.914 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000051736944 373407818 /nfs/dbraw/zinc/40/78/18/373407818.db2.gz ICWSHEONKGMECR-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000051736944 373407825 /nfs/dbraw/zinc/40/78/25/373407825.db2.gz ICWSHEONKGMECR-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000070444401 374176171 /nfs/dbraw/zinc/17/61/71/374176171.db2.gz DKPBFEKGSIBMHT-SNVBAGLBSA-N 1 2 260.297 2.810 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000491844965 246096567 /nfs/dbraw/zinc/09/65/67/246096567.db2.gz KTAYHRVHVDXIDJ-SREVYHEPSA-N 1 2 297.314 2.626 20 5 CFBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008037 374983355 /nfs/dbraw/zinc/98/33/55/374983355.db2.gz FIQOXVUDZLDTHA-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCOC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008037 374983360 /nfs/dbraw/zinc/98/33/60/374983360.db2.gz FIQOXVUDZLDTHA-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000112532174 375928090 /nfs/dbraw/zinc/92/80/90/375928090.db2.gz UJGIIFBLFCVSCT-DTWKUNHWSA-N 1 2 276.296 2.698 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116270587 376175852 /nfs/dbraw/zinc/17/58/52/376175852.db2.gz FVMJMSHBYRNYBA-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000116270587 376175857 /nfs/dbraw/zinc/17/58/57/376175857.db2.gz FVMJMSHBYRNYBA-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000125538677 377168712 /nfs/dbraw/zinc/16/87/12/377168712.db2.gz YZMKXQDLAQWYAJ-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000125538677 377168719 /nfs/dbraw/zinc/16/87/19/377168719.db2.gz YZMKXQDLAQWYAJ-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1nn(CCc2[nH+]c3ccccc3n2C)c(C)c1[N+](=O)[O-] ZINC000265049959 190154515 /nfs/dbraw/zinc/15/45/15/190154515.db2.gz YIJZAUMPYICIPC-UHFFFAOYSA-N 1 2 299.334 2.538 20 5 CFBDLO Cc1nc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000132569991 377853771 /nfs/dbraw/zinc/85/37/71/377853771.db2.gz AVOPARICKBQDHS-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000153388654 378489057 /nfs/dbraw/zinc/48/90/57/378489057.db2.gz SYDMJUCMHMXZEW-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000153388654 378489064 /nfs/dbraw/zinc/48/90/64/378489064.db2.gz SYDMJUCMHMXZEW-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330518794 378575761 /nfs/dbraw/zinc/57/57/61/378575761.db2.gz NBRCPWDRXYCPNS-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330518794 378575766 /nfs/dbraw/zinc/57/57/66/378575766.db2.gz NBRCPWDRXYCPNS-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO O=[N+]([O-])c1ccc(CSCCn2cc[nH+]c2)cc1 ZINC000160329834 378763662 /nfs/dbraw/zinc/76/36/62/378763662.db2.gz RMOLPJRQMQDBJX-UHFFFAOYSA-N 1 2 263.322 2.725 20 5 CFBDLO COC1(c2ccccc2)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000362313835 284754342 /nfs/dbraw/zinc/75/43/42/284754342.db2.gz XMWXIZCLUCVJCB-UHFFFAOYSA-N 1 2 298.342 2.952 20 5 CFBDLO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1[N+](=O)[O-] ZINC000266925673 190290987 /nfs/dbraw/zinc/29/09/87/190290987.db2.gz ZLKPRSKXUNYAJD-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084247 190302014 /nfs/dbraw/zinc/30/20/14/190302014.db2.gz YTPDSVPAUFNZJX-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084247 190302015 /nfs/dbraw/zinc/30/20/15/190302015.db2.gz YTPDSVPAUFNZJX-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084256 190302216 /nfs/dbraw/zinc/30/22/16/190302216.db2.gz YTPDSVPAUFNZJX-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084256 190302217 /nfs/dbraw/zinc/30/22/17/190302217.db2.gz YTPDSVPAUFNZJX-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000174843598 379949887 /nfs/dbraw/zinc/94/98/87/379949887.db2.gz LMEHCENCUKMTLX-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000174843598 379949892 /nfs/dbraw/zinc/94/98/92/379949892.db2.gz LMEHCENCUKMTLX-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)n1 ZINC000178222041 380424144 /nfs/dbraw/zinc/42/41/44/380424144.db2.gz PINHBJNQWDQBBT-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1 ZINC000341186418 380820800 /nfs/dbraw/zinc/82/08/00/380820800.db2.gz YOHXONKSCZXOEH-UHFFFAOYSA-N 1 2 260.249 2.577 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCNc2cccc[nH+]2)n1 ZINC000359109243 381270992 /nfs/dbraw/zinc/27/09/92/381270992.db2.gz NVKGBPXVVOSIDR-UHFFFAOYSA-N 1 2 287.323 2.526 20 5 CFBDLO COc1cncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000290230330 381351641 /nfs/dbraw/zinc/35/16/41/381351641.db2.gz IPZKARRAJWDZJI-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000290230330 381351649 /nfs/dbraw/zinc/35/16/49/381351649.db2.gz IPZKARRAJWDZJI-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000299102746 381825357 /nfs/dbraw/zinc/82/53/57/381825357.db2.gz NBHXDHSUXZOXCY-HUUCEWRRSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000299102746 381825362 /nfs/dbraw/zinc/82/53/62/381825362.db2.gz NBHXDHSUXZOXCY-HUUCEWRRSA-N 1 2 276.336 2.657 20 5 CFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccn1 ZINC000356977296 381940065 /nfs/dbraw/zinc/94/00/65/381940065.db2.gz MGJSQAFINHONED-SNVBAGLBSA-N 1 2 297.318 2.717 20 5 CFBDLO COc1cc(C[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])cc1F ZINC000362175598 381945359 /nfs/dbraw/zinc/94/53/59/381945359.db2.gz FJXNDHGFGJWMRD-QMMMGPOBSA-N 1 2 295.270 2.581 20 5 CFBDLO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ncn1 ZINC000293096314 381989322 /nfs/dbraw/zinc/98/93/22/381989322.db2.gz IVWTWTGUBBNDOG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ncn1 ZINC000293096314 381989330 /nfs/dbraw/zinc/98/93/30/381989330.db2.gz IVWTWTGUBBNDOG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000293261182 382052674 /nfs/dbraw/zinc/05/26/74/382052674.db2.gz RYGGUZSKWCFCTH-JTQLQIEISA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374913430 382061320 /nfs/dbraw/zinc/06/13/20/382061320.db2.gz LJJKNTFVSQWESA-FPMFFAJLSA-N 1 2 276.336 2.827 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374913430 382061325 /nfs/dbraw/zinc/06/13/25/382061325.db2.gz LJJKNTFVSQWESA-FPMFFAJLSA-N 1 2 276.336 2.827 20 5 CFBDLO Cc1c(C(=O)Nc2cccc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000357439935 382172145 /nfs/dbraw/zinc/17/21/45/382172145.db2.gz KEFUENONUCMWPN-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000364532730 382324722 /nfs/dbraw/zinc/32/47/22/382324722.db2.gz WODDLHUWVSRNKG-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000364532730 382324726 /nfs/dbraw/zinc/32/47/26/382324726.db2.gz WODDLHUWVSRNKG-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1cc(N[C@@H]2CC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000352431128 382329636 /nfs/dbraw/zinc/32/96/36/382329636.db2.gz KWQLDRXPEDNYLN-CYBMUJFWSA-N 1 2 298.346 2.993 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000364300869 382300624 /nfs/dbraw/zinc/30/06/24/382300624.db2.gz MKXXCGPFEXNUSN-ZDUSSCGKSA-N 1 2 286.335 2.941 20 5 CFBDLO Nc1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000308373312 382475049 /nfs/dbraw/zinc/47/50/49/382475049.db2.gz HFGVDBMPQOCADM-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO Cc1c(C[N@@H+]2CCc3ncccc3C2)cccc1[N+](=O)[O-] ZINC000366447619 382510577 /nfs/dbraw/zinc/51/05/77/382510577.db2.gz UBJJZCRVQJVMDB-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1c(C[N@H+]2CCc3ncccc3C2)cccc1[N+](=O)[O-] ZINC000366447619 382510584 /nfs/dbraw/zinc/51/05/84/382510584.db2.gz UBJJZCRVQJVMDB-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832145 382681874 /nfs/dbraw/zinc/68/18/74/382681874.db2.gz AEPRYYNIQYNMJH-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832145 382681875 /nfs/dbraw/zinc/68/18/75/382681875.db2.gz AEPRYYNIQYNMJH-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000493883995 382906580 /nfs/dbraw/zinc/90/65/80/382906580.db2.gz USNFTGCFDGFSFL-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000493883995 382906585 /nfs/dbraw/zinc/90/65/85/382906585.db2.gz USNFTGCFDGFSFL-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534299784 382923144 /nfs/dbraw/zinc/92/31/44/382923144.db2.gz KTYIPMGKTHLNDZ-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000338269016 382969021 /nfs/dbraw/zinc/96/90/21/382969021.db2.gz BVSGTOMYFNGGAY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000338269016 382969026 /nfs/dbraw/zinc/96/90/26/382969026.db2.gz BVSGTOMYFNGGAY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000339099674 383148929 /nfs/dbraw/zinc/14/89/29/383148929.db2.gz NZXZNXDTKLWMIE-GXFFZTMASA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000339099674 383148931 /nfs/dbraw/zinc/14/89/31/383148931.db2.gz NZXZNXDTKLWMIE-GXFFZTMASA-N 1 2 262.309 2.675 20 5 CFBDLO CC(C)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339810469 383325712 /nfs/dbraw/zinc/32/57/12/383325712.db2.gz CLTHOGBQUJRMJN-OAHLLOKOSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339810469 383325714 /nfs/dbraw/zinc/32/57/14/383325714.db2.gz CLTHOGBQUJRMJN-OAHLLOKOSA-N 1 2 294.351 2.547 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(F)cn1)C2 ZINC000568461157 383404222 /nfs/dbraw/zinc/40/42/22/383404222.db2.gz QOHPQAAIRWAABE-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(F)cn1)C2 ZINC000568461157 383404225 /nfs/dbraw/zinc/40/42/25/383404225.db2.gz QOHPQAAIRWAABE-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2C2CC2)cs1 ZINC000449527554 383354582 /nfs/dbraw/zinc/35/45/82/383354582.db2.gz JHSHQYPRGRRGLR-NSHDSACASA-N 1 2 284.406 2.984 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2C2CC2)cs1 ZINC000449527554 383354586 /nfs/dbraw/zinc/35/45/86/383354586.db2.gz JHSHQYPRGRRGLR-NSHDSACASA-N 1 2 284.406 2.984 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000450827482 383507497 /nfs/dbraw/zinc/50/74/97/383507497.db2.gz HZLNQQCFUMTEQS-SNVBAGLBSA-N 1 2 260.297 2.984 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000450833385 383512211 /nfs/dbraw/zinc/51/22/11/383512211.db2.gz SRSDJEIDVAONPR-ZJUUUORDSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(F)F)CC1 ZINC000453208894 383801399 /nfs/dbraw/zinc/80/13/99/383801399.db2.gz HTMIREFSKSEVKU-VIFPVBQESA-N 1 2 270.279 2.913 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000573336853 383914566 /nfs/dbraw/zinc/91/45/66/383914566.db2.gz STBKYFOAOAFCGG-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000573336853 383914577 /nfs/dbraw/zinc/91/45/77/383914577.db2.gz STBKYFOAOAFCGG-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCn1cc[nH+]c1 ZINC000277747592 384394071 /nfs/dbraw/zinc/39/40/71/384394071.db2.gz IUWWYRWUYPOFBU-UHFFFAOYSA-N 1 2 280.715 2.865 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000269868538 384887709 /nfs/dbraw/zinc/88/77/09/384887709.db2.gz LTCKDHKAEHFDLK-ZDUSSCGKSA-N 1 2 298.346 2.989 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])cc1C ZINC000269978897 384929417 /nfs/dbraw/zinc/92/94/17/384929417.db2.gz MRLLQGZCXGHVSE-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@@H](CCCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413326257 533561603 /nfs/dbraw/zinc/56/16/03/533561603.db2.gz LBXZOZGGDWPBKQ-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193848426 393665980 /nfs/dbraw/zinc/66/59/80/393665980.db2.gz MFFMXSCKNYEZNL-CYBMUJFWSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193848426 393665987 /nfs/dbraw/zinc/66/59/87/393665987.db2.gz MFFMXSCKNYEZNL-CYBMUJFWSA-N 1 2 286.335 2.698 20 5 CFBDLO CO[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413119345 393779661 /nfs/dbraw/zinc/77/96/61/393779661.db2.gz NTZCCHRJTYYTNQ-ZDUSSCGKSA-N 1 2 287.319 2.758 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424320034 393826762 /nfs/dbraw/zinc/82/67/62/393826762.db2.gz IPASNMYXAWDFMY-ZIAGYGMSSA-N 1 2 298.346 2.560 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000125463338 394007606 /nfs/dbraw/zinc/00/76/06/394007606.db2.gz ZAMITWPDVOJRGE-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000125463338 394007613 /nfs/dbraw/zinc/00/76/13/394007613.db2.gz ZAMITWPDVOJRGE-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO Cc1cc(N2CC3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450581847 394296261 /nfs/dbraw/zinc/29/62/61/394296261.db2.gz PRPWRQIKUIPNOT-UHFFFAOYSA-N 1 2 296.330 2.960 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])nc1 ZINC000450727872 394327912 /nfs/dbraw/zinc/32/79/12/394327912.db2.gz ZKFRDZKVLPTMFI-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCc2[nH+]cccc2C)n1 ZINC000450737219 394330361 /nfs/dbraw/zinc/33/03/61/394330361.db2.gz INCZCYPJWJWPDV-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO CCC(=O)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451048132 394350976 /nfs/dbraw/zinc/35/09/76/394350976.db2.gz JUBTUZZVXUEVHX-UHFFFAOYSA-N 1 2 292.335 2.549 20 5 CFBDLO CCC(=O)CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451048132 394350978 /nfs/dbraw/zinc/35/09/78/394350978.db2.gz JUBTUZZVXUEVHX-UHFFFAOYSA-N 1 2 292.335 2.549 20 5 CFBDLO C[C@@H](C1CC1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556799543 395015570 /nfs/dbraw/zinc/01/55/70/395015570.db2.gz QMFTYHOPTJHQBM-VIFPVBQESA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556799543 395015576 /nfs/dbraw/zinc/01/55/76/395015576.db2.gz QMFTYHOPTJHQBM-VIFPVBQESA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418120703 397567952 /nfs/dbraw/zinc/56/79/52/397567952.db2.gz CNXKTTBHEFBQNG-OUAUKWLOSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418120703 397567956 /nfs/dbraw/zinc/56/79/56/397567956.db2.gz CNXKTTBHEFBQNG-OUAUKWLOSA-N 1 2 264.325 2.777 20 5 CFBDLO COc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488202510 286218376 /nfs/dbraw/zinc/21/83/76/286218376.db2.gz QSFXSZBIOHZFJD-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488202510 286218378 /nfs/dbraw/zinc/21/83/78/286218378.db2.gz QSFXSZBIOHZFJD-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000446058787 286220873 /nfs/dbraw/zinc/22/08/73/286220873.db2.gz GOHDQNQNUHWEJV-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000446058787 286220874 /nfs/dbraw/zinc/22/08/74/286220874.db2.gz GOHDQNQNUHWEJV-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@@H]1COCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349777 157103714 /nfs/dbraw/zinc/10/37/14/157103714.db2.gz ILIDQSVHBLXXCX-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]1COCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349777 157103717 /nfs/dbraw/zinc/10/37/17/157103717.db2.gz ILIDQSVHBLXXCX-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)cn1 ZINC000344417196 162039281 /nfs/dbraw/zinc/03/92/81/162039281.db2.gz KHFXUNWIKACEFK-UHFFFAOYSA-N 1 2 287.323 2.689 20 5 CFBDLO CC(C)c1nnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000344665168 162092468 /nfs/dbraw/zinc/09/24/68/162092468.db2.gz BYSKOPFZGWNVAG-UHFFFAOYSA-N 1 2 292.364 2.860 20 5 CFBDLO O=[N+]([O-])c1cnc(NCCNc2cccc[nH+]2)c(Cl)c1 ZINC000346374642 162398252 /nfs/dbraw/zinc/39/82/52/162398252.db2.gz TYMRKHFBGBDSFP-UHFFFAOYSA-N 1 2 293.714 2.562 20 5 CFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000353002567 163284931 /nfs/dbraw/zinc/28/49/31/163284931.db2.gz WFGHKLDSWHDJBL-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000353002567 163284932 /nfs/dbraw/zinc/28/49/32/163284932.db2.gz WFGHKLDSWHDJBL-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO CC(C)[C@H](Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000285605197 196342267 /nfs/dbraw/zinc/34/22/67/196342267.db2.gz LYBIAOAWZCZRCW-JTQLQIEISA-N 1 2 261.285 2.522 20 5 CFBDLO Cc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000037283837 173091089 /nfs/dbraw/zinc/09/10/89/173091089.db2.gz VJJSYIJLGYEWDL-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000313485969 260298335 /nfs/dbraw/zinc/29/83/35/260298335.db2.gz WNTSPKFZBMXWKW-UHFFFAOYSA-N 1 2 280.715 2.636 20 5 CFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000519060094 265307553 /nfs/dbraw/zinc/30/75/53/265307553.db2.gz BSEDZTOGVUIPFA-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179864593 278036510 /nfs/dbraw/zinc/03/65/10/278036510.db2.gz DRLYOGNRRWKWRD-GFCCVEGCSA-N 1 2 278.352 2.939 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179864593 278036511 /nfs/dbraw/zinc/03/65/11/278036511.db2.gz DRLYOGNRRWKWRD-GFCCVEGCSA-N 1 2 278.352 2.939 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000296096050 278125094 /nfs/dbraw/zinc/12/50/94/278125094.db2.gz RNTZCHMPMFJHCB-CYBMUJFWSA-N 1 2 252.289 2.919 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000296096050 278125095 /nfs/dbraw/zinc/12/50/95/278125095.db2.gz RNTZCHMPMFJHCB-CYBMUJFWSA-N 1 2 252.289 2.919 20 5 CFBDLO CC1(C)C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000330738504 278388929 /nfs/dbraw/zinc/38/89/29/278388929.db2.gz NQPRYLKTQOFWMC-ZDUSSCGKSA-N 1 2 294.351 2.736 20 5 CFBDLO CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330424216 278653159 /nfs/dbraw/zinc/65/31/59/278653159.db2.gz INDOBFQDAKZPPZ-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000293384577 288208510 /nfs/dbraw/zinc/20/85/10/288208510.db2.gz KCOSIGXRYDOQQI-HTQZYQBOSA-N 1 2 256.252 2.713 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000293384577 288208512 /nfs/dbraw/zinc/20/85/12/288208512.db2.gz KCOSIGXRYDOQQI-HTQZYQBOSA-N 1 2 256.252 2.713 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(CCC3(F)F)C2)cs1 ZINC000335322958 280357061 /nfs/dbraw/zinc/35/70/61/280357061.db2.gz NSDZUDXBVKWGCL-UHFFFAOYSA-N 1 2 274.292 2.887 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421030105 280357912 /nfs/dbraw/zinc/35/79/12/280357912.db2.gz YHFIVULLGPOYAW-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421030105 280357914 /nfs/dbraw/zinc/35/79/14/280357914.db2.gz YHFIVULLGPOYAW-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000450831756 280399877 /nfs/dbraw/zinc/39/98/77/280399877.db2.gz QAVJJDZCORRGKH-QWRGUYRKSA-N 1 2 287.323 2.921 20 5 CFBDLO COc1cc[nH+]c(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131491916 280718983 /nfs/dbraw/zinc/71/89/83/280718983.db2.gz SUAJHCGOECJKCO-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCCCn1cc[nH+]c1 ZINC000148508731 280793393 /nfs/dbraw/zinc/79/33/93/280793393.db2.gz CFTNTCGXFMQWMK-UHFFFAOYSA-N 1 2 295.730 2.732 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(NCCCCn2cc[nH+]c2)c(F)c1 ZINC000226546077 280934800 /nfs/dbraw/zinc/93/48/00/280934800.db2.gz CIVAKUMWAOJONV-UHFFFAOYSA-N 1 2 296.277 2.962 20 5 CFBDLO Cc1cc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000255513731 281100613 /nfs/dbraw/zinc/10/06/13/281100613.db2.gz PLWHZQIEVPRPER-WAYWQWQTSA-N 1 2 283.287 2.950 20 5 CFBDLO Cn1c[nH+]cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000439549150 281238429 /nfs/dbraw/zinc/23/84/29/281238429.db2.gz KBYLVTAVDCLTIU-UHFFFAOYSA-N 1 2 267.672 2.561 20 5 CFBDLO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000548096648 281767433 /nfs/dbraw/zinc/76/74/33/281767433.db2.gz DRQFEHZPPSIJDJ-IUCAKERBSA-N 1 2 268.288 2.725 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563083372 290101479 /nfs/dbraw/zinc/10/14/79/290101479.db2.gz JELAXKOQNGFGLV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563083372 290101481 /nfs/dbraw/zinc/10/14/81/290101481.db2.gz JELAXKOQNGFGLV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295894948 303001222 /nfs/dbraw/zinc/00/12/22/303001222.db2.gz BZXKEXUOAQRTGY-ZDUSSCGKSA-N 1 2 286.335 2.916 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122788824 303004629 /nfs/dbraw/zinc/00/46/29/303004629.db2.gz BGHLPFYNNFKKPZ-CQSZACIVSA-N 1 2 286.335 2.569 20 5 CFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000163334974 322375377 /nfs/dbraw/zinc/37/53/77/322375377.db2.gz SMZZPXWWILQGHM-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000163334974 322375378 /nfs/dbraw/zinc/37/53/78/322375378.db2.gz SMZZPXWWILQGHM-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1c(NC(=O)C[C@@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000572726195 322629706 /nfs/dbraw/zinc/62/97/06/322629706.db2.gz NPMVSMHRESMWIV-SNVBAGLBSA-N 1 2 288.307 2.690 20 5 CFBDLO Cc1c[nH+]c(C)nc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000580212546 325017494 /nfs/dbraw/zinc/01/74/94/325017494.db2.gz PRPZYBQYDJMSRY-UHFFFAOYSA-N 1 2 286.335 2.681 20 5 CFBDLO Cc1cc(N[C@@H]2CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581029448 325084925 /nfs/dbraw/zinc/08/49/25/325084925.db2.gz YOYBCSLESXHAKQ-IINYFYTJSA-N 1 2 298.346 2.993 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000172020520 524618522 /nfs/dbraw/zinc/61/85/22/524618522.db2.gz YVCXIHPKQBYZDR-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000172020520 524618530 /nfs/dbraw/zinc/61/85/30/524618530.db2.gz YVCXIHPKQBYZDR-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1ccn2cc(CNc3nccc(C)c3[N+](=O)[O-])[nH+]c2c1 ZINC000360274707 525616059 /nfs/dbraw/zinc/61/60/59/525616059.db2.gz ZLRNMHFMBKURCT-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1[N+](=O)[O-] ZINC000192162398 525929658 /nfs/dbraw/zinc/92/96/58/525929658.db2.gz FVWQVQOYJBQRGZ-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO COc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000361561826 525955955 /nfs/dbraw/zinc/95/59/55/525955955.db2.gz GTRQMZNEVBPTHE-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000361561826 525955966 /nfs/dbraw/zinc/95/59/66/525955966.db2.gz GTRQMZNEVBPTHE-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO Cc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000064350304 526332267 /nfs/dbraw/zinc/33/22/67/526332267.db2.gz SMOYGGVFLISQEC-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000064350304 526332274 /nfs/dbraw/zinc/33/22/74/526332274.db2.gz SMOYGGVFLISQEC-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO CCOCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413233177 528715417 /nfs/dbraw/zinc/71/54/17/528715417.db2.gz UXLKUUTXEXRBQQ-UHFFFAOYSA-N 1 2 275.308 2.616 20 5 CFBDLO CC(C)[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413145057 528879731 /nfs/dbraw/zinc/87/97/31/528879731.db2.gz NDHIKDWFDQKHRC-HNNXBMFYSA-N 1 2 289.335 2.962 20 5 CFBDLO CCn1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000414210599 529174863 /nfs/dbraw/zinc/17/48/63/529174863.db2.gz OVEAQHHCQHKJAZ-LLVKDONJSA-N 1 2 274.324 2.662 20 5 CFBDLO Nc1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC000308377857 618207977 /nfs/dbraw/zinc/20/79/77/618207977.db2.gz CQZKYAWYIRPVMA-UHFFFAOYSA-N 1 2 278.699 2.838 20 5 CFBDLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000894007077 618266989 /nfs/dbraw/zinc/26/69/89/618266989.db2.gz ATZKGQYLOKCZGC-JTQLQIEISA-N 1 2 287.323 2.624 20 5 CFBDLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000894007077 618266992 /nfs/dbraw/zinc/26/69/92/618266992.db2.gz ATZKGQYLOKCZGC-JTQLQIEISA-N 1 2 287.323 2.624 20 5 CFBDLO Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000903946879 621484200 /nfs/dbraw/zinc/48/42/00/621484200.db2.gz GNYXLDLSZQVMAT-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO Nc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000903946879 621484201 /nfs/dbraw/zinc/48/42/01/621484201.db2.gz GNYXLDLSZQVMAT-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO CCc1ncc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000834899847 625915453 /nfs/dbraw/zinc/91/54/53/625915453.db2.gz MHRQLIYHRSBWLH-SNVBAGLBSA-N 1 2 275.308 2.996 20 5 CFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512796 626841813 /nfs/dbraw/zinc/84/18/13/626841813.db2.gz XGMCDBGNDSQTJP-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761512796 626841814 /nfs/dbraw/zinc/84/18/14/626841814.db2.gz XGMCDBGNDSQTJP-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO Cc1nn(C[NH+]2CCC(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000779863141 628415448 /nfs/dbraw/zinc/41/54/48/628415448.db2.gz LXISGRVXIJHIGA-UHFFFAOYSA-N 1 2 292.383 2.959 20 5 CFBDLO CN(C)c1cc(COc2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000782110014 628604816 /nfs/dbraw/zinc/60/48/16/628604816.db2.gz GDRIWMSDLQNZAU-UHFFFAOYSA-N 1 2 291.282 2.774 20 5 CFBDLO NC(Cc1ccccc1)=[NH+]OCCc1ccc([N+](=O)[O-])cc1 ZINC000784706456 628838337 /nfs/dbraw/zinc/83/83/37/628838337.db2.gz ZLCLEUSWKLNJJB-UHFFFAOYSA-N 1 2 299.330 2.878 20 5 CFBDLO Cc1ccnc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000792265214 629415073 /nfs/dbraw/zinc/41/50/73/629415073.db2.gz JUIBMHQMMGJTCE-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccnc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000792265214 629415077 /nfs/dbraw/zinc/41/50/77/629415077.db2.gz JUIBMHQMMGJTCE-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440019 632212827 /nfs/dbraw/zinc/21/28/27/632212827.db2.gz KPOBUDXOENJASB-ZDUSSCGKSA-N 1 2 298.289 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440019 632212832 /nfs/dbraw/zinc/21/28/32/632212832.db2.gz KPOBUDXOENJASB-ZDUSSCGKSA-N 1 2 298.289 2.922 20 5 CFBDLO Cc1nnsc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074043 641605755 /nfs/dbraw/zinc/60/57/55/641605755.db2.gz VBAZWLXYUUMZJV-QMMMGPOBSA-N 1 2 296.327 2.745 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](CF)C2)c(F)c1 ZINC000880300606 644641517 /nfs/dbraw/zinc/64/15/17/644641517.db2.gz UQUIBGLBKPWDFY-MRVPVSSYSA-N 1 2 274.242 2.664 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](CF)C2)c(F)c1 ZINC000880300606 644641524 /nfs/dbraw/zinc/64/15/24/644641524.db2.gz UQUIBGLBKPWDFY-MRVPVSSYSA-N 1 2 274.242 2.664 20 5 CFBDLO CC[C@H](c1ccncc1)[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440390 645724620 /nfs/dbraw/zinc/72/46/20/645724620.db2.gz ZQMBLIOAFPHCDB-CQSZACIVSA-N 1 2 289.339 2.617 20 5 CFBDLO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000131440390 645724629 /nfs/dbraw/zinc/72/46/29/645724629.db2.gz ZQMBLIOAFPHCDB-CQSZACIVSA-N 1 2 289.339 2.617 20 5 CFBDLO CC[C@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886069658 646852425 /nfs/dbraw/zinc/85/24/25/646852425.db2.gz JQRKLKNACKRUOD-ZDUSSCGKSA-N 1 2 292.364 2.861 20 5 CFBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886205064 646920377 /nfs/dbraw/zinc/92/03/77/646920377.db2.gz YVOSZDQTTONWKX-UHFFFAOYSA-N 1 2 290.323 2.620 20 5 CFBDLO Cc1noc(C[NH2+][C@H]2CCc3c2cccc3F)c1[N+](=O)[O-] ZINC000886924054 647176689 /nfs/dbraw/zinc/17/66/89/647176689.db2.gz GVHKUVHSNFKHDQ-LBPRGKRZSA-N 1 2 291.282 2.807 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000926891277 648647283 /nfs/dbraw/zinc/64/72/83/648647283.db2.gz IKCSLIVOMGWNKV-OPQQBVKSSA-N 1 2 287.323 2.543 20 5 CFBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)nn1 ZINC000930099448 649184233 /nfs/dbraw/zinc/18/42/33/649184233.db2.gz KTLFBINSBVRCTN-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)nn1 ZINC000930099448 649184236 /nfs/dbraw/zinc/18/42/36/649184236.db2.gz KTLFBINSBVRCTN-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000931098507 649379655 /nfs/dbraw/zinc/37/96/55/649379655.db2.gz IRXGRRVQUHLCQV-LURJTMIESA-N 1 2 297.664 2.681 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932178570 649559765 /nfs/dbraw/zinc/55/97/65/649559765.db2.gz QSHCSXQMQSQDHM-MNOVXSKESA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1ccc(C)c([N+](=O)[O-])c1OC1C[NH+](C(C)C)C1 ZINC001231058836 777128454 /nfs/dbraw/zinc/12/84/54/777128454.db2.gz DCSYUDSLMADWOZ-UHFFFAOYSA-N 1 2 264.325 2.683 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000594981344 349537872 /nfs/dbraw/zinc/53/78/72/349537872.db2.gz XVXIUFPOQITTJU-GFCCVEGCSA-N 1 2 250.298 2.579 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083170774 178348924 /nfs/dbraw/zinc/34/89/24/178348924.db2.gz ZFLHKELTGUJAKY-SECBINFHSA-N 1 2 293.348 2.673 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083170774 178348927 /nfs/dbraw/zinc/34/89/27/178348927.db2.gz ZFLHKELTGUJAKY-SECBINFHSA-N 1 2 293.348 2.673 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000595010461 349547941 /nfs/dbraw/zinc/54/79/41/349547941.db2.gz HVZZDJKWYRPRRH-SNVBAGLBSA-N 1 2 291.307 2.751 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nccs1 ZINC000595020746 349552755 /nfs/dbraw/zinc/55/27/55/349552755.db2.gz ZVZOSCRIJJGDNV-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000595286198 349590260 /nfs/dbraw/zinc/59/02/60/349590260.db2.gz FADAYDIHERHQJA-UHFFFAOYSA-N 1 2 279.321 2.511 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000595286198 349590264 /nfs/dbraw/zinc/59/02/64/349590264.db2.gz FADAYDIHERHQJA-UHFFFAOYSA-N 1 2 279.321 2.511 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329099 349603330 /nfs/dbraw/zinc/60/33/30/349603330.db2.gz MZWXPJJESVCXDA-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329099 349603331 /nfs/dbraw/zinc/60/33/31/349603331.db2.gz MZWXPJJESVCXDA-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000595288299 349591483 /nfs/dbraw/zinc/59/14/83/349591483.db2.gz NGZNKJONSYLFFK-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000595288299 349591486 /nfs/dbraw/zinc/59/14/86/349591486.db2.gz NGZNKJONSYLFFK-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000595427538 349622438 /nfs/dbraw/zinc/62/24/38/349622438.db2.gz ZJUYNFWEVXBUQX-UWVGGRQHSA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595439461 349626934 /nfs/dbraw/zinc/62/69/34/349626934.db2.gz ZHRZYWRELODPKL-ZETCQYMHSA-N 1 2 296.327 2.745 20 5 CFBDLO Cc1noc(C[NH2+][C@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000595477984 349638309 /nfs/dbraw/zinc/63/83/09/349638309.db2.gz XVUCKTRDFMAIKW-SSDOTTSWSA-N 1 2 267.310 2.804 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000595568420 349663149 /nfs/dbraw/zinc/66/31/49/349663149.db2.gz OBDDKPSURPBDHD-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000595568420 349663152 /nfs/dbraw/zinc/66/31/52/349663152.db2.gz OBDDKPSURPBDHD-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cscn1 ZINC000595667253 349694881 /nfs/dbraw/zinc/69/48/81/349694881.db2.gz DZVHVMXJNRSLOT-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595752492 349724463 /nfs/dbraw/zinc/72/44/63/349724463.db2.gz KVOVCDJJWQQONA-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595752492 349724465 /nfs/dbraw/zinc/72/44/65/349724465.db2.gz KVOVCDJJWQQONA-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595716091 349714979 /nfs/dbraw/zinc/71/49/79/349714979.db2.gz VFTKSYRLFFESHZ-IJLUTSLNSA-N 1 2 276.336 2.813 20 5 CFBDLO C[N@H+](CC1=CCSC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595889258 349763149 /nfs/dbraw/zinc/76/31/49/349763149.db2.gz SRZDOALJUZHDKQ-UHFFFAOYSA-N 1 2 282.340 2.839 20 5 CFBDLO C[N@@H+](CC1=CCSC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595889258 349763152 /nfs/dbraw/zinc/76/31/52/349763152.db2.gz SRZDOALJUZHDKQ-UHFFFAOYSA-N 1 2 282.340 2.839 20 5 CFBDLO Cc1noc(Cn2c[nH+]c3cc(C)c(C)cc32)c1[N+](=O)[O-] ZINC000596019499 349776506 /nfs/dbraw/zinc/77/65/06/349776506.db2.gz AAJAJOCNCVARPG-UHFFFAOYSA-N 1 2 286.291 2.906 20 5 CFBDLO C[NH2+]Cc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000414495990 530012923 /nfs/dbraw/zinc/01/29/23/530012923.db2.gz CLXMTBPFUSAIGH-QMMMGPOBSA-N 1 2 294.336 2.551 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000596544114 349937204 /nfs/dbraw/zinc/93/72/04/349937204.db2.gz YMWNJAJDIDMUBE-SNVBAGLBSA-N 1 2 275.312 2.513 20 5 CFBDLO COCC[N@H+](Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000046601122 346430384 /nfs/dbraw/zinc/43/03/84/346430384.db2.gz OXKDKAUWRRNJET-UHFFFAOYSA-N 1 2 290.319 2.836 20 5 CFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000046601122 346430388 /nfs/dbraw/zinc/43/03/88/346430388.db2.gz OXKDKAUWRRNJET-UHFFFAOYSA-N 1 2 290.319 2.836 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000049056763 346478930 /nfs/dbraw/zinc/47/89/30/346478930.db2.gz NSNZTCZPPMNSCR-UHFFFAOYSA-N 1 2 293.348 2.572 20 5 CFBDLO O=[N+]([O-])c1sccc1NCCc1cn2ccccc2[nH+]1 ZINC000049056840 346479140 /nfs/dbraw/zinc/47/91/40/346479140.db2.gz DDMKLSMMDGXPCC-UHFFFAOYSA-N 1 2 288.332 2.959 20 5 CFBDLO CC(C)n1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000084225502 347460346 /nfs/dbraw/zinc/46/03/46/347460346.db2.gz JNMCKNCYTWGEHS-UHFFFAOYSA-N 1 2 274.324 2.662 20 5 CFBDLO CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091919169 347603044 /nfs/dbraw/zinc/60/30/44/347603044.db2.gz CMIXNWITCDZBIU-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091919169 347603050 /nfs/dbraw/zinc/60/30/50/347603050.db2.gz CMIXNWITCDZBIU-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093498132 347677088 /nfs/dbraw/zinc/67/70/88/347677088.db2.gz GVEBQYCVMFOHTI-WDEREUQCSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093498132 347677092 /nfs/dbraw/zinc/67/70/92/347677092.db2.gz GVEBQYCVMFOHTI-WDEREUQCSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000227831030 348190981 /nfs/dbraw/zinc/19/09/81/348190981.db2.gz DMXJZZBBWZSGKM-ZCFIWIBFSA-N 1 2 267.676 2.539 20 5 CFBDLO CCc1cc(NCc2cccc([N+](=O)[O-])c2C)nc[nH+]1 ZINC000231868878 348209061 /nfs/dbraw/zinc/20/90/61/348209061.db2.gz MAWDFROTRBBMFN-UHFFFAOYSA-N 1 2 272.308 2.868 20 5 CFBDLO Cc1cccc(CCNc2cc(C)c([N+](=O)[O-])cn2)[nH+]1 ZINC000280436433 348341048 /nfs/dbraw/zinc/34/10/48/348341048.db2.gz KCCKOPWQMWAQTO-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@](O)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413132402 233023085 /nfs/dbraw/zinc/02/30/85/233023085.db2.gz GKEULHCBZKJRAS-HNNXBMFYSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000584720354 348709327 /nfs/dbraw/zinc/70/93/27/348709327.db2.gz INAVIDOQXGRQBH-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000584720354 348709329 /nfs/dbraw/zinc/70/93/29/348709329.db2.gz INAVIDOQXGRQBH-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)CO1 ZINC000593064094 349199463 /nfs/dbraw/zinc/19/94/63/349199463.db2.gz WYDWGJNJPAYAST-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)CO1 ZINC000593064094 349199467 /nfs/dbraw/zinc/19/94/67/349199467.db2.gz WYDWGJNJPAYAST-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092516 349206476 /nfs/dbraw/zinc/20/64/76/349206476.db2.gz OVWCAURMPGADLC-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC000593092516 349206479 /nfs/dbraw/zinc/20/64/79/349206479.db2.gz OVWCAURMPGADLC-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000091917324 180285603 /nfs/dbraw/zinc/28/56/03/180285603.db2.gz ORYMCKGLZHNNDP-FNORWQNLSA-N 1 2 276.336 2.719 20 5 CFBDLO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000091917324 180285606 /nfs/dbraw/zinc/28/56/06/180285606.db2.gz ORYMCKGLZHNNDP-FNORWQNLSA-N 1 2 276.336 2.719 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@]2(CCOC2)C1 ZINC000599061049 350368116 /nfs/dbraw/zinc/36/81/16/350368116.db2.gz KAAWFNLIXPDMEP-MRXNPFEDSA-N 1 2 299.330 2.760 20 5 CFBDLO CSCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599011855 350358834 /nfs/dbraw/zinc/35/88/34/350358834.db2.gz AJNLQCNBZFGWAD-UHFFFAOYSA-N 1 2 263.322 2.918 20 5 CFBDLO COCCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599020369 350359535 /nfs/dbraw/zinc/35/95/35/350359535.db2.gz UEMZJZBHLFEGFH-UHFFFAOYSA-N 1 2 275.308 2.982 20 5 CFBDLO CO[C@@H](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038070 350362841 /nfs/dbraw/zinc/36/28/41/350362841.db2.gz MRXZKNGTSRODMV-JTQLQIEISA-N 1 2 275.308 2.980 20 5 CFBDLO O=[N+]([O-])c1c(NCC[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599065817 350369000 /nfs/dbraw/zinc/36/90/00/350369000.db2.gz OFDZTYGHPSNKNZ-NSHDSACASA-N 1 2 287.319 2.982 20 5 CFBDLO CO[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068760 350370304 /nfs/dbraw/zinc/37/03/04/350370304.db2.gz ODZMKXDZPQJXOP-VIFPVBQESA-N 1 2 261.281 2.590 20 5 CFBDLO CO[C@H](C)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599083536 350372279 /nfs/dbraw/zinc/37/22/79/350372279.db2.gz YUSOQPAGFUBTFX-SNVBAGLBSA-N 1 2 275.308 2.614 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H](O)C2CCC2)ccc2c[nH+]ccc21 ZINC000599086977 350374337 /nfs/dbraw/zinc/37/43/37/350374337.db2.gz DLGYJBCZCTVTJJ-AWEZNQCLSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599629132 350467822 /nfs/dbraw/zinc/46/78/22/350467822.db2.gz XEGDUPYQFHARTK-VIFPVBQESA-N 1 2 286.278 2.920 20 5 CFBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599629132 350467828 /nfs/dbraw/zinc/46/78/28/350467828.db2.gz XEGDUPYQFHARTK-VIFPVBQESA-N 1 2 286.278 2.920 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641002 350471158 /nfs/dbraw/zinc/47/11/58/350471158.db2.gz GJOSFRQGVXPHTE-FZMZJTMJSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641002 350471161 /nfs/dbraw/zinc/47/11/61/350471161.db2.gz GJOSFRQGVXPHTE-FZMZJTMJSA-N 1 2 282.315 2.716 20 5 CFBDLO CC(C)(CNc1c(F)cccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198417 350694728 /nfs/dbraw/zinc/69/47/28/350694728.db2.gz XAVDIFUYAYXDPW-UHFFFAOYSA-N 1 2 278.287 2.778 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111273047 186385888 /nfs/dbraw/zinc/38/58/88/186385888.db2.gz RQQHDFKSHJBTMS-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111273047 186385890 /nfs/dbraw/zinc/38/58/90/186385890.db2.gz RQQHDFKSHJBTMS-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO C[N@H+](Cc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439233 350882863 /nfs/dbraw/zinc/88/28/63/350882863.db2.gz JKAAORFGKWSJFM-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439233 350882864 /nfs/dbraw/zinc/88/28/64/350882864.db2.gz JKAAORFGKWSJFM-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO CC(C)(Nc1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000603407177 351158414 /nfs/dbraw/zinc/15/84/14/351158414.db2.gz PSXKSTCMUZPREW-UHFFFAOYSA-N 1 2 264.260 2.804 20 5 CFBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)F ZINC000603427123 351162647 /nfs/dbraw/zinc/16/26/47/351162647.db2.gz BFGGXQLJHKYSOV-XCBNKYQSSA-N 1 2 256.252 2.825 20 5 CFBDLO O=[N+]([O-])c1ncccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000603845081 351185636 /nfs/dbraw/zinc/18/56/36/351185636.db2.gz BYNXXIDAJYWFNX-UHFFFAOYSA-N 1 2 285.307 2.729 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000603852171 351186317 /nfs/dbraw/zinc/18/63/17/351186317.db2.gz DJPPBNRXCYKDRB-UHFFFAOYSA-N 1 2 283.291 2.521 20 5 CFBDLO Cc1ccn2cc(CNc3cccnc3[N+](=O)[O-])[nH+]c2c1 ZINC000604123364 351199967 /nfs/dbraw/zinc/19/99/67/351199967.db2.gz NQLWZEWKALHVEI-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609619001 351511824 /nfs/dbraw/zinc/51/18/24/351511824.db2.gz ZBIKDOVVICQUOI-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1Oc1cc(-n2cc[nH+]c2)ncn1 ZINC000610129247 351534371 /nfs/dbraw/zinc/53/43/71/351534371.db2.gz MRWAAPRFCKDUPN-UHFFFAOYSA-N 1 2 297.274 2.671 20 5 CFBDLO C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000611413608 351686938 /nfs/dbraw/zinc/68/69/38/351686938.db2.gz HYYYKBSYLTVOIE-JQWIXIFHSA-N 1 2 292.364 2.940 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1F ZINC000611502409 351698983 /nfs/dbraw/zinc/69/89/83/351698983.db2.gz RZTWXVRLWZJELG-ONGXEEELSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1F ZINC000611502409 351698986 /nfs/dbraw/zinc/69/89/86/351698986.db2.gz RZTWXVRLWZJELG-ONGXEEELSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@H](CNc1ccsc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000611370245 351675230 /nfs/dbraw/zinc/67/52/30/351675230.db2.gz MQVQSIWXHTUOGZ-SECBINFHSA-N 1 2 266.326 2.601 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cs1 ZINC000611578523 351710708 /nfs/dbraw/zinc/71/07/08/351710708.db2.gz PYQBHHVRDXLPPR-SECBINFHSA-N 1 2 292.307 2.860 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cs1 ZINC000611578523 351710711 /nfs/dbraw/zinc/71/07/11/351710711.db2.gz PYQBHHVRDXLPPR-SECBINFHSA-N 1 2 292.307 2.860 20 5 CFBDLO Cc1ccoc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000291695361 198061842 /nfs/dbraw/zinc/06/18/42/198061842.db2.gz JPAUMWIHNXTQNT-UHFFFAOYSA-N 1 2 252.295 2.848 20 5 CFBDLO CC(C)([NH2+]Cc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000291735720 198075243 /nfs/dbraw/zinc/07/52/43/198075243.db2.gz OKHPGZNEKHYPNV-UHFFFAOYSA-N 1 2 261.281 2.608 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271528067 191195293 /nfs/dbraw/zinc/19/52/93/191195293.db2.gz PGGRCLGDSKSXPH-VHSXEESVSA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000292251492 198218807 /nfs/dbraw/zinc/21/88/07/198218807.db2.gz XUBVXNDRJHJYEP-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO Cc1c(C[N@@H+]2CCC=C(F)C2)cccc1[N+](=O)[O-] ZINC000271672820 191271060 /nfs/dbraw/zinc/27/10/60/191271060.db2.gz XMIJFXIOLNFGEZ-UHFFFAOYSA-N 1 2 250.273 2.962 20 5 CFBDLO Cc1c(C[N@H+]2CCC=C(F)C2)cccc1[N+](=O)[O-] ZINC000271672820 191271062 /nfs/dbraw/zinc/27/10/62/191271062.db2.gz XMIJFXIOLNFGEZ-UHFFFAOYSA-N 1 2 250.273 2.962 20 5 CFBDLO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000173373095 188852464 /nfs/dbraw/zinc/85/24/64/188852464.db2.gz AXKBCCUUTHXLGP-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000177567680 189057579 /nfs/dbraw/zinc/05/75/79/189057579.db2.gz ZDMLTDLYHJJSSC-CQSZACIVSA-N 1 2 290.319 2.974 20 5 CFBDLO CCCc1ncc(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000449609508 242065268 /nfs/dbraw/zinc/06/52/68/242065268.db2.gz BZHKUWSGMUWFPQ-UHFFFAOYSA-N 1 2 281.337 2.887 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000049963791 373338127 /nfs/dbraw/zinc/33/81/27/373338127.db2.gz RHGMDRABYZNRMN-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO CCc1cc(NCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000050015859 373339681 /nfs/dbraw/zinc/33/96/81/373339681.db2.gz PJQUPJAKPGARHO-UHFFFAOYSA-N 1 2 258.281 2.559 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1NCCn1cc[nH+]c1 ZINC000050352130 373372148 /nfs/dbraw/zinc/37/21/48/373372148.db2.gz QZPHDZMMESQWHE-UHFFFAOYSA-N 1 2 266.688 2.557 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487937852 245794635 /nfs/dbraw/zinc/79/46/35/245794635.db2.gz BYYUBTATAUUTTF-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491350138 246062359 /nfs/dbraw/zinc/06/23/59/246062359.db2.gz JGLFPKTVVRPRMR-WAYWQWQTSA-N 1 2 299.286 2.650 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000093645296 375284365 /nfs/dbraw/zinc/28/43/65/375284365.db2.gz WOSPDUCBFIFEIX-WMHVBEDNSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@H]1C1CC1 ZINC000093645296 375284370 /nfs/dbraw/zinc/28/43/70/375284370.db2.gz WOSPDUCBFIFEIX-WMHVBEDNSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cs1 ZINC000102409622 375672576 /nfs/dbraw/zinc/67/25/76/375672576.db2.gz IZBWRDBAYBDFTA-LBPRGKRZSA-N 1 2 292.364 2.690 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)cs1 ZINC000102409622 375672581 /nfs/dbraw/zinc/67/25/81/375672581.db2.gz IZBWRDBAYBDFTA-LBPRGKRZSA-N 1 2 292.364 2.690 20 5 CFBDLO CC[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000115573200 376141832 /nfs/dbraw/zinc/14/18/32/376141832.db2.gz VDBYIMIAVDEPLC-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000115573200 376141840 /nfs/dbraw/zinc/14/18/40/376141840.db2.gz VDBYIMIAVDEPLC-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO C[C@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000118418687 376295884 /nfs/dbraw/zinc/29/58/84/376295884.db2.gz ROQQMPKUJKCLLY-DTWKUNHWSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000118418687 376295887 /nfs/dbraw/zinc/29/58/87/376295887.db2.gz ROQQMPKUJKCLLY-DTWKUNHWSA-N 1 2 272.395 2.982 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000131269889 377686232 /nfs/dbraw/zinc/68/62/32/377686232.db2.gz WZEISVRYYGMROG-AWEZNQCLSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000131269889 377686235 /nfs/dbraw/zinc/68/62/35/377686235.db2.gz WZEISVRYYGMROG-AWEZNQCLSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000131770804 377759636 /nfs/dbraw/zinc/75/96/36/377759636.db2.gz KQUMPXVJVBUMRI-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000131770804 377759642 /nfs/dbraw/zinc/75/96/42/377759642.db2.gz KQUMPXVJVBUMRI-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000138923502 378233963 /nfs/dbraw/zinc/23/39/63/378233963.db2.gz HIDWNDXEBPEVMZ-UWVGGRQHSA-N 1 2 260.297 2.730 20 5 CFBDLO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1[nH]cc[nH+]1 ZINC000140592426 378239740 /nfs/dbraw/zinc/23/97/40/378239740.db2.gz MBPGVGYXENETBW-NSHDSACASA-N 1 2 288.307 2.507 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000153021052 378466553 /nfs/dbraw/zinc/46/65/53/378466553.db2.gz PTZJIACGJHUTLQ-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000153021052 378466556 /nfs/dbraw/zinc/46/65/56/378466556.db2.gz PTZJIACGJHUTLQ-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448150 378558975 /nfs/dbraw/zinc/55/89/75/378558975.db2.gz YWHXRWYFQWCCOY-ZDUSSCGKSA-N 1 2 264.325 2.921 20 5 CFBDLO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448150 378558982 /nfs/dbraw/zinc/55/89/82/378558982.db2.gz YWHXRWYFQWCCOY-ZDUSSCGKSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448050 378559518 /nfs/dbraw/zinc/55/95/18/378559518.db2.gz GKYCLYHREPTSJP-CQSZACIVSA-N 1 2 293.323 2.580 20 5 CFBDLO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448050 378559524 /nfs/dbraw/zinc/55/95/24/378559524.db2.gz GKYCLYHREPTSJP-CQSZACIVSA-N 1 2 293.323 2.580 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331143979 378640992 /nfs/dbraw/zinc/64/09/92/378640992.db2.gz MWULRSZOOCTIDK-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000331143979 378640997 /nfs/dbraw/zinc/64/09/97/378640997.db2.gz MWULRSZOOCTIDK-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278723064 194122330 /nfs/dbraw/zinc/12/23/30/194122330.db2.gz VHCGYJOREMCAOD-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000278723064 194122332 /nfs/dbraw/zinc/12/23/32/194122332.db2.gz VHCGYJOREMCAOD-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1nocc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339362016 220263927 /nfs/dbraw/zinc/26/39/27/220263927.db2.gz QCYGPOSBLAPREY-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO Cc1nc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000289450637 197352974 /nfs/dbraw/zinc/35/29/74/197352974.db2.gz UUAVKRKYIPXLIA-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1nc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000289450637 197352975 /nfs/dbraw/zinc/35/29/75/197352975.db2.gz UUAVKRKYIPXLIA-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO COc1cc[nH+]cc1COc1cccc([N+](=O)[O-])c1 ZINC000341174632 380816071 /nfs/dbraw/zinc/81/60/71/380816071.db2.gz LIVLQFQAHREWCJ-UHFFFAOYSA-N 1 2 260.249 2.577 20 5 CFBDLO Cc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000182061977 380977365 /nfs/dbraw/zinc/97/73/65/380977365.db2.gz DKZVHLCTKVFVSF-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411867692 381039670 /nfs/dbraw/zinc/03/96/70/381039670.db2.gz XKNUQHBJAGZMBV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000411867692 381039677 /nfs/dbraw/zinc/03/96/77/381039677.db2.gz XKNUQHBJAGZMBV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000347600371 381246350 /nfs/dbraw/zinc/24/63/50/381246350.db2.gz MIPCUAICXABZCT-UHFFFAOYSA-N 1 2 283.291 2.521 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000359511790 381444397 /nfs/dbraw/zinc/44/43/97/381444397.db2.gz ADVADOGANFADGW-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1ccnc(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC000348349414 381522510 /nfs/dbraw/zinc/52/25/10/381522510.db2.gz MNTCZONJZWBAKC-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000371429622 381625773 /nfs/dbraw/zinc/62/57/73/381625773.db2.gz FRVZYOIBCFBKOX-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000371429622 381625775 /nfs/dbraw/zinc/62/57/75/381625775.db2.gz FRVZYOIBCFBKOX-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000371429622 381625779 /nfs/dbraw/zinc/62/57/79/381625779.db2.gz FRVZYOIBCFBKOX-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)OC ZINC000291341016 381754249 /nfs/dbraw/zinc/75/42/49/381754249.db2.gz WTGASAGDTIZHRP-SECBINFHSA-N 1 2 288.294 2.730 20 5 CFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)OC ZINC000291341016 381754254 /nfs/dbraw/zinc/75/42/54/381754254.db2.gz WTGASAGDTIZHRP-SECBINFHSA-N 1 2 288.294 2.730 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000362396511 382048156 /nfs/dbraw/zinc/04/81/56/382048156.db2.gz NZRWNWABJOHJON-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1ncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000343932492 382026822 /nfs/dbraw/zinc/02/68/22/382026822.db2.gz QSPHBFPOVCCVRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000343932492 382026825 /nfs/dbraw/zinc/02/68/25/382026825.db2.gz QSPHBFPOVCCVRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ccnc(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000301248027 382120500 /nfs/dbraw/zinc/12/05/00/382120500.db2.gz BGXLBBLNFIPPHA-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000365447086 382395974 /nfs/dbraw/zinc/39/59/74/382395974.db2.gz AHPHTOHLXMTRCW-UHFFFAOYSA-N 1 2 286.335 2.764 20 5 CFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000378493094 382472504 /nfs/dbraw/zinc/47/25/04/382472504.db2.gz IPRNPXCASURHOH-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000378493094 382472508 /nfs/dbraw/zinc/47/25/08/382472508.db2.gz IPRNPXCASURHOH-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1oncc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188788524 382477633 /nfs/dbraw/zinc/47/76/33/382477633.db2.gz RSCAZEHZCPVDQA-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1oncc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000188788524 382477637 /nfs/dbraw/zinc/47/76/37/382477637.db2.gz RSCAZEHZCPVDQA-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358275429 382542109 /nfs/dbraw/zinc/54/21/09/382542109.db2.gz VZQUNTOOGHIYNA-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421478761 382552907 /nfs/dbraw/zinc/55/29/07/382552907.db2.gz UDEROEWJYCDPBN-UHFFFAOYSA-N 1 2 299.330 2.843 20 5 CFBDLO CC(C)Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])s1 ZINC000190330523 382662374 /nfs/dbraw/zinc/66/23/74/382662374.db2.gz NSUYMXSTOXPZDM-UHFFFAOYSA-N 1 2 281.341 2.516 20 5 CFBDLO COCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000337945076 382875853 /nfs/dbraw/zinc/87/58/53/382875853.db2.gz HWSLKWKFKYBTGH-CQSZACIVSA-N 1 2 296.367 2.841 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000339024895 383124104 /nfs/dbraw/zinc/12/41/04/383124104.db2.gz XHZZTFAZRQZEIN-UHFFFAOYSA-N 1 2 286.278 2.778 20 5 CFBDLO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000518555884 383203684 /nfs/dbraw/zinc/20/36/84/383203684.db2.gz WHBZULPHLMPTLN-NSHDSACASA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000518555884 383203688 /nfs/dbraw/zinc/20/36/88/383203688.db2.gz WHBZULPHLMPTLN-NSHDSACASA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cn2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339122942 383158514 /nfs/dbraw/zinc/15/85/14/383158514.db2.gz BJBIOUDULUERHW-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000568355087 383392786 /nfs/dbraw/zinc/39/27/86/383392786.db2.gz LKELBYVQZOTCFX-WDEREUQCSA-N 1 2 282.365 2.513 20 5 CFBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000568355087 383392792 /nfs/dbraw/zinc/39/27/92/383392792.db2.gz LKELBYVQZOTCFX-WDEREUQCSA-N 1 2 282.365 2.513 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000450835307 383513446 /nfs/dbraw/zinc/51/34/46/383513446.db2.gz WVPKBMSBZXLEJT-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000429717386 383562108 /nfs/dbraw/zinc/56/21/08/383562108.db2.gz LSVVAPKOMBNFIT-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000429717386 383562111 /nfs/dbraw/zinc/56/21/11/383562111.db2.gz LSVVAPKOMBNFIT-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccon1 ZINC000573458448 383934192 /nfs/dbraw/zinc/93/41/92/383934192.db2.gz SSNDUTHOPNQHOH-RNCFNFMXSA-N 1 2 273.292 2.921 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438350461 383990313 /nfs/dbraw/zinc/99/03/13/383990313.db2.gz UOSAZBBKAPPDOZ-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438350461 383990317 /nfs/dbraw/zinc/99/03/17/383990317.db2.gz UOSAZBBKAPPDOZ-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000364036979 220322557 /nfs/dbraw/zinc/32/25/57/220322557.db2.gz UIALNLPIFIRDHR-CYBMUJFWSA-N 1 2 272.308 2.968 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279302078 384610528 /nfs/dbraw/zinc/61/05/28/384610528.db2.gz MHSXTMPNBIUBGP-XHDPSFHLSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279302078 384610539 /nfs/dbraw/zinc/61/05/39/384610539.db2.gz MHSXTMPNBIUBGP-XHDPSFHLSA-N 1 2 276.336 2.594 20 5 CFBDLO CN(CCCn1cc[nH+]c1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000269673313 384829758 /nfs/dbraw/zinc/82/97/58/384829758.db2.gz YAFSZPGQQBONIC-UHFFFAOYSA-N 1 2 296.277 2.596 20 5 CFBDLO Cc1ccc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269906214 384901049 /nfs/dbraw/zinc/90/10/49/384901049.db2.gz HAJVNXGEYKWQCW-GFCCVEGCSA-N 1 2 274.324 2.848 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000301816363 285157524 /nfs/dbraw/zinc/15/75/24/285157524.db2.gz HDOPRFHUGMAXPK-UHFFFAOYSA-N 1 2 255.277 2.553 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282419311 385306784 /nfs/dbraw/zinc/30/67/84/385306784.db2.gz GNEVZEFDMQUZGP-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282419311 385306788 /nfs/dbraw/zinc/30/67/88/385306788.db2.gz GNEVZEFDMQUZGP-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000271065652 385326054 /nfs/dbraw/zinc/32/60/54/385326054.db2.gz IZCASRSUGKJUPA-UHFFFAOYSA-N 1 2 274.324 2.567 20 5 CFBDLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000271065652 385326061 /nfs/dbraw/zinc/32/60/61/385326061.db2.gz IZCASRSUGKJUPA-UHFFFAOYSA-N 1 2 274.324 2.567 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000275232514 385961362 /nfs/dbraw/zinc/96/13/62/385961362.db2.gz NEPXHMGQDKURSY-QWRGUYRKSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000275232514 385961370 /nfs/dbraw/zinc/96/13/70/385961370.db2.gz NEPXHMGQDKURSY-QWRGUYRKSA-N 1 2 262.309 2.567 20 5 CFBDLO Cc1cc(NCc2c[nH+]cn2C)c2cccc([N+](=O)[O-])c2n1 ZINC000357588708 130494123 /nfs/dbraw/zinc/49/41/23/130494123.db2.gz BBBANNYSBITODB-UHFFFAOYSA-N 1 2 297.318 2.797 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000191146962 393588428 /nfs/dbraw/zinc/58/84/28/393588428.db2.gz CXHNOJDHYOFERZ-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000191146962 393588435 /nfs/dbraw/zinc/58/84/35/393588435.db2.gz CXHNOJDHYOFERZ-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411860220 393756297 /nfs/dbraw/zinc/75/62/97/393756297.db2.gz LIFIAQLBPKJRQE-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411860220 393756300 /nfs/dbraw/zinc/75/63/00/393756300.db2.gz LIFIAQLBPKJRQE-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424323375 393828804 /nfs/dbraw/zinc/82/88/04/393828804.db2.gz MANHBXPJYPFNBX-ZIAGYGMSSA-N 1 2 298.346 2.560 20 5 CFBDLO CCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000471821374 393920133 /nfs/dbraw/zinc/92/01/33/393920133.db2.gz LABUKVYELRZSAN-UHFFFAOYSA-N 1 2 293.367 2.639 20 5 CFBDLO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(F)F ZINC000133282721 394172427 /nfs/dbraw/zinc/17/24/27/394172427.db2.gz NUSPVWOKCWYXKI-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(F)F ZINC000133282721 394172431 /nfs/dbraw/zinc/17/24/31/394172431.db2.gz NUSPVWOKCWYXKI-UHFFFAOYSA-N 1 2 288.294 2.951 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000175025416 394380331 /nfs/dbraw/zinc/38/03/31/394380331.db2.gz ZCAHELWRWAHIKZ-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)C1 ZINC000175025416 394380333 /nfs/dbraw/zinc/38/03/33/394380333.db2.gz ZCAHELWRWAHIKZ-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO COc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353871919 286306062 /nfs/dbraw/zinc/30/60/62/286306062.db2.gz UWWXYAZPMAEOBR-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353871919 286306063 /nfs/dbraw/zinc/30/60/63/286306063.db2.gz UWWXYAZPMAEOBR-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343280037 154166546 /nfs/dbraw/zinc/16/65/46/154166546.db2.gz ZMLXIJBQJRVDLS-CYBMUJFWSA-N 1 2 272.308 2.892 20 5 CFBDLO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(C2CC2)[nH+]1 ZINC000357868451 155561872 /nfs/dbraw/zinc/56/18/72/155561872.db2.gz VPSRREQKVKOOEP-UHFFFAOYSA-N 1 2 298.346 2.913 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000365783020 156230972 /nfs/dbraw/zinc/23/09/72/156230972.db2.gz BUXCHFBIPXADGI-RISCZKNCSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000365783020 156230976 /nfs/dbraw/zinc/23/09/76/156230976.db2.gz BUXCHFBIPXADGI-RISCZKNCSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000365783021 156231025 /nfs/dbraw/zinc/23/10/25/156231025.db2.gz BUXCHFBIPXADGI-SMDDNHRTSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000365783021 156231030 /nfs/dbraw/zinc/23/10/30/156231030.db2.gz BUXCHFBIPXADGI-SMDDNHRTSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798692 156240924 /nfs/dbraw/zinc/24/09/24/156240924.db2.gz YMXALKDXLXDFLO-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798692 156240925 /nfs/dbraw/zinc/24/09/25/156240925.db2.gz YMXALKDXLXDFLO-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000351067115 163116885 /nfs/dbraw/zinc/11/68/85/163116885.db2.gz VBFBRVMIFOXDDM-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459781069 287052012 /nfs/dbraw/zinc/05/20/12/287052012.db2.gz GZLLUJVNHDSPIY-WDEREUQCSA-N 1 2 274.324 2.740 20 5 CFBDLO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330435201 287078137 /nfs/dbraw/zinc/07/81/37/287078137.db2.gz AQRPBKIAPWGTAJ-MFKMUULPSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000044692635 175234093 /nfs/dbraw/zinc/23/40/93/175234093.db2.gz SEUHKBPEIWMDGK-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1c(C[NH2+][C@@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000398316321 270321943 /nfs/dbraw/zinc/32/19/43/270321943.db2.gz DCYAUSLSASHIES-VIFPVBQESA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295920059 279165123 /nfs/dbraw/zinc/16/51/23/279165123.db2.gz DYMUGBJIBTXARC-CYBMUJFWSA-N 1 2 297.286 2.827 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295920059 279165126 /nfs/dbraw/zinc/16/51/26/279165126.db2.gz DYMUGBJIBTXARC-CYBMUJFWSA-N 1 2 297.286 2.827 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000267037813 280363878 /nfs/dbraw/zinc/36/38/78/280363878.db2.gz OEMHKYPXNQQZOB-GJZGRUSLSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000267037813 280363882 /nfs/dbraw/zinc/36/38/82/280363882.db2.gz OEMHKYPXNQQZOB-GJZGRUSLSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000339226668 280369003 /nfs/dbraw/zinc/36/90/03/280369003.db2.gz CRUGJYPZTYXJSU-MGULZYLOSA-N 1 2 276.336 2.969 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000354704019 280372232 /nfs/dbraw/zinc/37/22/32/280372232.db2.gz KCHIDYZHKXBLJO-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000354704019 280372237 /nfs/dbraw/zinc/37/22/37/280372237.db2.gz KCHIDYZHKXBLJO-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000107292142 280586962 /nfs/dbraw/zinc/58/69/62/280586962.db2.gz ZNNVAGSQYKZXSU-VOTSOKGWSA-N 1 2 283.287 2.950 20 5 CFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000121614173 280622706 /nfs/dbraw/zinc/62/27/06/280622706.db2.gz WNDTZEVPMFYFQF-UHFFFAOYSA-N 1 2 289.266 2.998 20 5 CFBDLO CN(Cc1[nH+]ccn1C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153422176 289867894 /nfs/dbraw/zinc/86/78/94/289867894.db2.gz BHEFTDWKTTXEFH-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCc1cc[nH+]cc1C ZINC000566484960 290393591 /nfs/dbraw/zinc/39/35/91/290393591.db2.gz VCYIYNBOAOECBP-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1cn2c([nH+]1)CN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000359993280 302324505 /nfs/dbraw/zinc/32/45/05/302324505.db2.gz KDFMOUXNYFVIQV-UHFFFAOYSA-N 1 2 292.726 2.773 20 5 CFBDLO CN(c1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000571528833 322586689 /nfs/dbraw/zinc/58/66/89/322586689.db2.gz MUKHENPPCBJGLF-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4OCC[C@@H]4C3)c2c1 ZINC000582663612 325223669 /nfs/dbraw/zinc/22/36/69/325223669.db2.gz WIHJSNRYLNGGMV-DOMZBBRYSA-N 1 2 299.330 2.758 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000450823048 500759349 /nfs/dbraw/zinc/75/93/49/500759349.db2.gz BUGSLDXFWIWIMC-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO Cc1cnc(OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000178283351 534598624 /nfs/dbraw/zinc/59/86/24/534598624.db2.gz ZBGDLPSQLWRJPU-UHFFFAOYSA-N 1 2 298.302 2.833 20 5 CFBDLO CCc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000314798953 522203753 /nfs/dbraw/zinc/20/37/53/522203753.db2.gz SLFFOALBVAAXSP-UHFFFAOYSA-N 1 2 293.298 2.883 20 5 CFBDLO CN(C)c1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000153555411 522238500 /nfs/dbraw/zinc/23/85/00/522238500.db2.gz UMELUEHSBUQQIK-UHFFFAOYSA-N 1 2 293.714 2.848 20 5 CFBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000048608250 522631128 /nfs/dbraw/zinc/63/11/28/522631128.db2.gz AZMAEYCOIYRLRS-UHFFFAOYSA-N 1 2 262.244 2.914 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000315291696 524794169 /nfs/dbraw/zinc/79/41/69/524794169.db2.gz HPAVXJAODPPAMD-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000338682172 525453362 /nfs/dbraw/zinc/45/33/62/525453362.db2.gz OBCJFAVNVKALHC-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO Cc1ccn2cc(CNc3nc(C)ccc3[N+](=O)[O-])[nH+]c2c1 ZINC000360676784 525617723 /nfs/dbraw/zinc/61/77/23/525617723.db2.gz QXJPZWXBQZWGBS-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc[nH+]c2)c1 ZINC000338558575 527346921 /nfs/dbraw/zinc/34/69/21/527346921.db2.gz YMOMQZVZLSLDTB-UHFFFAOYSA-N 1 2 271.198 2.858 20 5 CFBDLO CC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)COC1 ZINC000413140278 527989899 /nfs/dbraw/zinc/98/98/99/527989899.db2.gz OIAYMXMJVLDYDU-UHFFFAOYSA-N 1 2 273.292 2.591 20 5 CFBDLO CC(C)[C@@H](CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413288281 528472937 /nfs/dbraw/zinc/47/29/37/528472937.db2.gz DISRPHCLNREXPY-GFCCVEGCSA-N 1 2 289.335 2.819 20 5 CFBDLO CC[C@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413153780 529332960 /nfs/dbraw/zinc/33/29/60/529332960.db2.gz LZQNUKQZMIROKY-LLVKDONJSA-N 1 2 275.308 2.716 20 5 CFBDLO Cc1ccc(CCNc2nc3ccccn3c2[N+](=O)[O-])c[nH+]1 ZINC000732049946 574140827 /nfs/dbraw/zinc/14/08/27/574140827.db2.gz FTBUVUKTJZERIZ-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO C[N@H+](CC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000749287136 574287866 /nfs/dbraw/zinc/28/78/66/574287866.db2.gz CFNMSJFSDFZVNT-UHFFFAOYSA-N 1 2 299.321 2.761 20 5 CFBDLO C[N@@H+](CC(F)F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000749287136 574287868 /nfs/dbraw/zinc/28/78/68/574287868.db2.gz CFNMSJFSDFZVNT-UHFFFAOYSA-N 1 2 299.321 2.761 20 5 CFBDLO NC(=[NH+]OCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000725793611 574309274 /nfs/dbraw/zinc/30/92/74/574309274.db2.gz IYTDXWRWOCIMCR-UHFFFAOYSA-N 1 2 289.266 2.781 20 5 CFBDLO Cc1cc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c[nH+]c1C ZINC000895645028 619575967 /nfs/dbraw/zinc/57/59/67/619575967.db2.gz KUIMPSQFIPRSNV-UHFFFAOYSA-N 1 2 287.323 2.619 20 5 CFBDLO Cc1nc(NC[C@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000896795030 619820390 /nfs/dbraw/zinc/82/03/90/619820390.db2.gz ZILFAHMYNLSFFQ-JTQLQIEISA-N 1 2 272.308 2.909 20 5 CFBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(C)no2)cc([N+](=O)[O-])c1 ZINC000903091610 621256981 /nfs/dbraw/zinc/25/69/81/621256981.db2.gz XMLJADJAJMNQGP-SNVBAGLBSA-N 1 2 291.307 2.751 20 5 CFBDLO Nc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000903947024 621484962 /nfs/dbraw/zinc/48/49/62/621484962.db2.gz JNNJYZGRMYWBMC-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO Nc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000903947024 621484964 /nfs/dbraw/zinc/48/49/64/621484964.db2.gz JNNJYZGRMYWBMC-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839131364 626527805 /nfs/dbraw/zinc/52/78/05/626527805.db2.gz JAWSOVLDISRAGU-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839131364 626527806 /nfs/dbraw/zinc/52/78/06/626527806.db2.gz JAWSOVLDISRAGU-PHIMTYICSA-N 1 2 294.738 2.944 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140825 626528427 /nfs/dbraw/zinc/52/84/27/626528427.db2.gz IQIZWGVDJKZARR-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccon1 ZINC000766421958 627201959 /nfs/dbraw/zinc/20/19/59/627201959.db2.gz XVUNVVVYJSUPDB-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO C[N@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771163694 627581657 /nfs/dbraw/zinc/58/16/57/627581657.db2.gz OFEFJTVRQXOENT-UHFFFAOYSA-N 1 2 299.321 2.761 20 5 CFBDLO C[N@@H+](CC(F)F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000771163694 627581659 /nfs/dbraw/zinc/58/16/59/627581659.db2.gz OFEFJTVRQXOENT-UHFFFAOYSA-N 1 2 299.321 2.761 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CCC2 ZINC000774212073 627904190 /nfs/dbraw/zinc/90/41/90/627904190.db2.gz YGMAYEBTMLWQRA-AWEZNQCLSA-N 1 2 273.292 2.750 20 5 CFBDLO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000777132563 628203016 /nfs/dbraw/zinc/20/30/16/628203016.db2.gz CFSZUGARZRDNJL-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)n2)c(F)c1 ZINC000778104772 628277442 /nfs/dbraw/zinc/27/74/42/628277442.db2.gz HWMWZFIMKLTKPP-UHFFFAOYSA-N 1 2 279.246 2.558 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(OCc2cc[nH+]c(N(C)C)c2)c1 ZINC000782110029 628605076 /nfs/dbraw/zinc/60/50/76/628605076.db2.gz GRDSQEICCFDFEU-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO Cc1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000809966655 631306195 /nfs/dbraw/zinc/30/61/95/631306195.db2.gz JVJGKXRAUFRLKI-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000809966655 631306197 /nfs/dbraw/zinc/30/61/97/631306197.db2.gz JVJGKXRAUFRLKI-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1c(F)cccc1NCc1ccn2cc[nH+]c2c1 ZINC000811817672 631627524 /nfs/dbraw/zinc/62/75/24/631627524.db2.gz YVVXDQRZVYFWGU-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO Cc1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000844299722 632161090 /nfs/dbraw/zinc/16/10/90/632161090.db2.gz FJJMYBKHULBMRN-LLVKDONJSA-N 1 2 289.291 2.656 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450360 632216869 /nfs/dbraw/zinc/21/68/69/632216869.db2.gz LBYKGGNWNOHNKF-TXEJJXNPSA-N 1 2 298.289 2.690 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450360 632216871 /nfs/dbraw/zinc/21/68/71/632216871.db2.gz LBYKGGNWNOHNKF-TXEJJXNPSA-N 1 2 298.289 2.690 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453629 632217685 /nfs/dbraw/zinc/21/76/85/632217685.db2.gz WGTOOFHAMDGTBW-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453629 632217692 /nfs/dbraw/zinc/21/76/92/632217692.db2.gz WGTOOFHAMDGTBW-AOOOYVTPSA-N 1 2 288.681 2.945 20 5 CFBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000856730322 635843148 /nfs/dbraw/zinc/84/31/48/635843148.db2.gz ALFWNZATGODPQH-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccn1 ZINC000856730322 635843153 /nfs/dbraw/zinc/84/31/53/635843153.db2.gz ALFWNZATGODPQH-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1ccccc1[N+](=O)[O-] ZINC000856776454 635856870 /nfs/dbraw/zinc/85/68/70/635856870.db2.gz RQALGXGUFGZQDZ-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000075581654 650337594 /nfs/dbraw/zinc/33/75/94/650337594.db2.gz IUZCLEFDLQWPKH-UHFFFAOYSA-N 1 2 286.335 2.628 20 5 CFBDLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000865810475 638587639 /nfs/dbraw/zinc/58/76/39/638587639.db2.gz OGDWREGUQFILRN-UHFFFAOYSA-N 1 2 296.277 2.556 20 5 CFBDLO CC(C)(C)c1cn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000871989553 641543824 /nfs/dbraw/zinc/54/38/24/641543824.db2.gz ONPXCXBMDRZVNA-CYBMUJFWSA-N 1 2 289.335 2.822 20 5 CFBDLO CCn1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872045294 641580549 /nfs/dbraw/zinc/58/05/49/641580549.db2.gz KVCHRLNDWMZREG-SNVBAGLBSA-N 1 2 292.314 2.801 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000872050978 641584751 /nfs/dbraw/zinc/58/47/51/641584751.db2.gz GQIQTVICQGVGBU-BDAKNGLRSA-N 1 2 278.287 2.869 20 5 CFBDLO COCC[N@H+](CCF)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877626594 643411296 /nfs/dbraw/zinc/41/12/96/643411296.db2.gz FXBVNUVUNRKJCR-UHFFFAOYSA-N 1 2 284.331 2.630 20 5 CFBDLO COCC[N@@H+](CCF)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877626594 643411298 /nfs/dbraw/zinc/41/12/98/643411298.db2.gz FXBVNUVUNRKJCR-UHFFFAOYSA-N 1 2 284.331 2.630 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2ccns2)cc1[N+](=O)[O-] ZINC000878899627 644067567 /nfs/dbraw/zinc/06/75/67/644067567.db2.gz MVHVIXMQOMNLPA-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2ccns2)cc1[N+](=O)[O-] ZINC000878899627 644067570 /nfs/dbraw/zinc/06/75/70/644067570.db2.gz MVHVIXMQOMNLPA-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1[N+](=O)[O-] ZINC000880367352 644669918 /nfs/dbraw/zinc/66/99/18/644669918.db2.gz CJHOAYNTODCHPL-UHFFFAOYSA-N 1 2 298.346 2.862 20 5 CFBDLO C[C@H]1c2sccc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880376383 644678226 /nfs/dbraw/zinc/67/82/26/644678226.db2.gz RCNTXSTZCQXYTE-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000880376383 644678231 /nfs/dbraw/zinc/67/82/31/644678231.db2.gz RCNTXSTZCQXYTE-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886092302 646863803 /nfs/dbraw/zinc/86/38/03/646863803.db2.gz SWLYZPXJPDDOJJ-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886092302 646863808 /nfs/dbraw/zinc/86/38/08/646863808.db2.gz SWLYZPXJPDDOJJ-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924799865 648049747 /nfs/dbraw/zinc/04/97/47/648049747.db2.gz VMNVZVNOJPTZLJ-IUCAKERBSA-N 1 2 276.296 2.698 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218006579 775434368 /nfs/dbraw/zinc/43/43/68/775434368.db2.gz LXMJYGINNXTUAP-SNVBAGLBSA-N 1 2 292.669 2.624 20 5 CFBDLO C[NH+](C)[C@H]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225619787 775527114 /nfs/dbraw/zinc/52/71/14/775527114.db2.gz ISESWRDYRKUPQW-XYPYZODXSA-N 1 2 280.324 2.552 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226917169 776016359 /nfs/dbraw/zinc/01/63/59/776016359.db2.gz HWIREPJSASBKRT-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO CC[NH+]1CC(Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230623316 777028367 /nfs/dbraw/zinc/02/83/67/777028367.db2.gz UVAJAUTYFJLHMZ-UHFFFAOYSA-N 1 2 272.304 2.831 20 5 CFBDLO CC(=O)C[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219652 777479984 /nfs/dbraw/zinc/47/99/84/777479984.db2.gz XRFNIRQOBMRCBJ-UHFFFAOYSA-N 1 2 279.343 2.804 20 5 CFBDLO CC(=O)C[N@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219652 777479991 /nfs/dbraw/zinc/47/99/91/777479991.db2.gz XRFNIRQOBMRCBJ-UHFFFAOYSA-N 1 2 279.343 2.804 20 5 CFBDLO Cc1conc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000708224927 781267571 /nfs/dbraw/zinc/26/75/71/781267571.db2.gz BUBYXTAGWOFTNM-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592878 349454493 /nfs/dbraw/zinc/45/44/93/349454493.db2.gz ZUXUSZQEJOMIFG-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592878 349454497 /nfs/dbraw/zinc/45/44/97/349454497.db2.gz ZUXUSZQEJOMIFG-GARJFASQSA-N 1 2 299.396 2.566 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(CC2(F)F)C1 ZINC000594609467 349462290 /nfs/dbraw/zinc/46/22/90/349462290.db2.gz YELYKWQMDFGHLV-HWKANZROSA-N 1 2 280.274 2.949 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(CC2(F)F)C1 ZINC000594609471 349462588 /nfs/dbraw/zinc/46/25/88/349462588.db2.gz YELYKWQMDFGHLV-HYXAFXHYSA-N 1 2 280.274 2.949 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000595053463 349566474 /nfs/dbraw/zinc/56/64/74/349566474.db2.gz VKAMLABRRPBGEP-SECBINFHSA-N 1 2 291.307 2.751 20 5 CFBDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595064129 349572491 /nfs/dbraw/zinc/57/24/91/349572491.db2.gz CXKSTVRIZZFGQS-NRUUGDAUSA-N 1 2 287.323 2.543 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323733 349602194 /nfs/dbraw/zinc/60/21/94/349602194.db2.gz OAYXIMZVRXMROG-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323733 349602199 /nfs/dbraw/zinc/60/21/99/349602199.db2.gz OAYXIMZVRXMROG-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000595286669 349591381 /nfs/dbraw/zinc/59/13/81/349591381.db2.gz JKHSKJADCHMJDL-UHFFFAOYSA-N 1 2 267.310 2.585 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000595286669 349591383 /nfs/dbraw/zinc/59/13/83/349591383.db2.gz JKHSKJADCHMJDL-UHFFFAOYSA-N 1 2 267.310 2.585 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1[N+](=O)[O-] ZINC000595359322 349609693 /nfs/dbraw/zinc/60/96/93/349609693.db2.gz MIFDXPHVGDHQDK-LLVKDONJSA-N 1 2 276.296 2.556 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1[N+](=O)[O-] ZINC000595359322 349609696 /nfs/dbraw/zinc/60/96/96/349609696.db2.gz MIFDXPHVGDHQDK-LLVKDONJSA-N 1 2 276.296 2.556 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595375527 349612068 /nfs/dbraw/zinc/61/20/68/349612068.db2.gz RPFPQHCVHVFPRT-JTQLQIEISA-N 1 2 291.307 2.790 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595375527 349612070 /nfs/dbraw/zinc/61/20/70/349612070.db2.gz RPFPQHCVHVFPRT-JTQLQIEISA-N 1 2 291.307 2.790 20 5 CFBDLO Cc1noc(C[NH2+][C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000595424908 349621651 /nfs/dbraw/zinc/62/16/51/349621651.db2.gz ISYLRDGXOOOGQT-ZDUSSCGKSA-N 1 2 288.307 2.527 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331118464 300333768 /nfs/dbraw/zinc/33/37/68/300333768.db2.gz ONDIVDSJLBCNGJ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000331118464 300333771 /nfs/dbraw/zinc/33/37/71/300333771.db2.gz ONDIVDSJLBCNGJ-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000595449950 349629499 /nfs/dbraw/zinc/62/94/99/349629499.db2.gz MSGVYGIAEPXRFT-VWYCJHECSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000595449950 349629500 /nfs/dbraw/zinc/62/95/00/349629500.db2.gz MSGVYGIAEPXRFT-VWYCJHECSA-N 1 2 282.315 2.732 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595464314 349634534 /nfs/dbraw/zinc/63/45/34/349634534.db2.gz AAHKBBPHDZZCCK-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595464314 349634538 /nfs/dbraw/zinc/63/45/38/349634538.db2.gz AAHKBBPHDZZCCK-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595462796 349634757 /nfs/dbraw/zinc/63/47/57/349634757.db2.gz WGHFMUBFYWGDEA-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595462796 349634759 /nfs/dbraw/zinc/63/47/59/349634759.db2.gz WGHFMUBFYWGDEA-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1nccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000507241622 282182355 /nfs/dbraw/zinc/18/23/55/282182355.db2.gz BBLZWPFYLWUGRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000507241622 282182356 /nfs/dbraw/zinc/18/23/56/282182356.db2.gz BBLZWPFYLWUGRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595617683 349678095 /nfs/dbraw/zinc/67/80/95/349678095.db2.gz IOECBKUBBNBAOG-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595617683 349678097 /nfs/dbraw/zinc/67/80/97/349678097.db2.gz IOECBKUBBNBAOG-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595681824 349699594 /nfs/dbraw/zinc/69/95/94/349699594.db2.gz MQTUBCBAPJPRJC-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000595681824 349699595 /nfs/dbraw/zinc/69/95/95/349699595.db2.gz MQTUBCBAPJPRJC-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755777 349724449 /nfs/dbraw/zinc/72/44/49/349724449.db2.gz QDYHPTPIYTVAOM-NSHDSACASA-N 1 2 282.315 2.872 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755777 349724452 /nfs/dbraw/zinc/72/44/52/349724452.db2.gz QDYHPTPIYTVAOM-NSHDSACASA-N 1 2 282.315 2.872 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413326553 529591183 /nfs/dbraw/zinc/59/11/83/529591183.db2.gz WKXKBIHHKZOONL-MRVPVSSYSA-N 1 2 279.275 2.518 20 5 CFBDLO Cc1cnc(NCCc2cc[nH+]cc2C)c([N+](=O)[O-])c1 ZINC000269972734 190578243 /nfs/dbraw/zinc/57/82/43/190578243.db2.gz LHSVNDIWDFFZNV-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1cc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596051154 349782049 /nfs/dbraw/zinc/78/20/49/349782049.db2.gz MCXVYVLHJYXGNK-UHFFFAOYSA-N 1 2 266.326 2.663 20 5 CFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000596245805 349839052 /nfs/dbraw/zinc/83/90/52/349839052.db2.gz ALVVXLVZKHOOTI-UWVGGRQHSA-N 1 2 257.293 2.988 20 5 CFBDLO Cc1cc(Nc2ccc3c(c2)[nH+]cn3C)ncc1[N+](=O)[O-] ZINC000074768996 347032400 /nfs/dbraw/zinc/03/24/00/347032400.db2.gz JABRBDGPECBEPQ-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO CN(C[C@H]1CCOC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413171725 529972071 /nfs/dbraw/zinc/97/20/71/529972071.db2.gz NGAUPWHLNYOHJF-LLVKDONJSA-N 1 2 287.319 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000596512384 349926108 /nfs/dbraw/zinc/92/61/08/349926108.db2.gz UZHOCRMEJFBZAH-VXGBXAGGSA-N 1 2 269.304 2.989 20 5 CFBDLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000596543418 349936651 /nfs/dbraw/zinc/93/66/51/349936651.db2.gz TXGPAPWFBZSELJ-SECBINFHSA-N 1 2 278.287 2.949 20 5 CFBDLO O=[N+]([O-])c1cnccc1Sc1[nH+]cc2ccccn21 ZINC000066796629 346779608 /nfs/dbraw/zinc/77/96/08/346779608.db2.gz VWBCCLRTYNZEKL-UHFFFAOYSA-N 1 2 272.289 2.789 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)cc1OC(F)F ZINC000092582890 347632729 /nfs/dbraw/zinc/63/27/29/347632729.db2.gz LFJYBDFYBGMAPD-UHFFFAOYSA-N 1 2 298.249 2.505 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(N(C)C)[nH+]c1 ZINC000092584789 347633480 /nfs/dbraw/zinc/63/34/80/347633480.db2.gz ZBDWVKSZCVUZQN-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498131 347677140 /nfs/dbraw/zinc/67/71/40/347677140.db2.gz GVEBQYCVMFOHTI-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498131 347677143 /nfs/dbraw/zinc/67/71/43/347677143.db2.gz GVEBQYCVMFOHTI-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000255087364 348303153 /nfs/dbraw/zinc/30/31/53/348303153.db2.gz WOSPDUCBFIFEIX-OICCZTGUSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000255087364 348303156 /nfs/dbraw/zinc/30/31/56/348303156.db2.gz WOSPDUCBFIFEIX-OICCZTGUSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000587309826 348761907 /nfs/dbraw/zinc/76/19/07/348761907.db2.gz WKVRQOUOSCCJPF-UHFFFAOYSA-N 1 2 268.276 2.505 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(C(F)F)C1 ZINC000590968822 348974359 /nfs/dbraw/zinc/97/43/59/348974359.db2.gz UNIQDZPNXCXDQD-HYXAFXHYSA-N 1 2 268.263 2.805 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(C3)CCCOC4)c2c1 ZINC000591162689 348995689 /nfs/dbraw/zinc/99/56/89/348995689.db2.gz SJXWMWBOBPMMPY-UHFFFAOYSA-N 1 2 299.330 2.760 20 5 CFBDLO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593054600 349196489 /nfs/dbraw/zinc/19/64/89/349196489.db2.gz WSYWBNSQXKJYTL-CQSZACIVSA-N 1 2 294.351 2.690 20 5 CFBDLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593054600 349196492 /nfs/dbraw/zinc/19/64/92/349196492.db2.gz WSYWBNSQXKJYTL-CQSZACIVSA-N 1 2 294.351 2.690 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072595 349202550 /nfs/dbraw/zinc/20/25/50/349202550.db2.gz IOBBTQYEBXQGMR-UHFFFAOYSA-N 1 2 298.289 2.922 20 5 CFBDLO C[C@H]1COCC[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072304 350370563 /nfs/dbraw/zinc/37/05/63/350370563.db2.gz AVKUSUGUTLFWSH-GWCFXTLKSA-N 1 2 287.319 2.980 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(OC(F)F)C1 ZINC000599072604 350371167 /nfs/dbraw/zinc/37/11/67/350371167.db2.gz KMPQATRAOSDIEW-UHFFFAOYSA-N 1 2 295.245 2.571 20 5 CFBDLO C/C=C\C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078733 350371608 /nfs/dbraw/zinc/37/16/08/350371608.db2.gz DTJNBIQNILXYFG-NQHOJNORSA-N 1 2 286.335 2.583 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC([C@@H]2CCOC2)C1 ZINC000599075893 350371755 /nfs/dbraw/zinc/37/17/55/350371755.db2.gz BCFHYSFJQLUNQL-GFCCVEGCSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H]2CC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599079437 350371984 /nfs/dbraw/zinc/37/19/84/350371984.db2.gz KUMZBRJQZVVXOK-CMPLNLGQSA-N 1 2 287.319 2.716 20 5 CFBDLO C/C=C/C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599081458 350372735 /nfs/dbraw/zinc/37/27/35/350372735.db2.gz LITQBEBKXDSXMS-RDFMZFSFSA-N 1 2 286.335 2.583 20 5 CFBDLO CO[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599086536 350373228 /nfs/dbraw/zinc/37/32/28/350373228.db2.gz NYQIPDYJJRAQRR-CQSZACIVSA-N 1 2 287.319 2.980 20 5 CFBDLO CO[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599086535 350373274 /nfs/dbraw/zinc/37/32/74/350373274.db2.gz NYQIPDYJJRAQRR-AWEZNQCLSA-N 1 2 287.319 2.980 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)c1 ZINC000599097347 350374903 /nfs/dbraw/zinc/37/49/03/350374903.db2.gz CJLJRIDVJLRPMJ-LBPRGKRZSA-N 1 2 284.319 2.687 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000599100109 350375912 /nfs/dbraw/zinc/37/59/12/350375912.db2.gz JVPICHYWIQVFMM-GFCCVEGCSA-N 1 2 284.319 2.687 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2C[C@H](O)C23CCC3)ccc2c[nH+]ccc21 ZINC000599105918 350376538 /nfs/dbraw/zinc/37/65/38/350376538.db2.gz GNGHJXZBYAUIQZ-KBPBESRZSA-N 1 2 299.330 2.858 20 5 CFBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000599133428 350381621 /nfs/dbraw/zinc/38/16/21/350381621.db2.gz OPRWMRWYFLJZIU-GFCCVEGCSA-N 1 2 285.294 2.736 20 5 CFBDLO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000599133428 350381624 /nfs/dbraw/zinc/38/16/24/350381624.db2.gz OPRWMRWYFLJZIU-GFCCVEGCSA-N 1 2 285.294 2.736 20 5 CFBDLO COCCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000599505963 350446842 /nfs/dbraw/zinc/44/68/42/350446842.db2.gz FTGFXPPGNQIZNS-UHFFFAOYSA-N 1 2 294.351 2.549 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000106250908 186105079 /nfs/dbraw/zinc/10/50/79/186105079.db2.gz UTZLYMSJZKKZBH-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599646978 350472024 /nfs/dbraw/zinc/47/20/24/350472024.db2.gz NNWHERNLKBUEBK-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646978 350472028 /nfs/dbraw/zinc/47/20/28/350472028.db2.gz NNWHERNLKBUEBK-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000107289778 186167019 /nfs/dbraw/zinc/16/70/19/186167019.db2.gz MRNVYHIOEGYHAD-UHFFFAOYSA-N 1 2 257.249 2.551 20 5 CFBDLO Cc1ncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000600168556 350528641 /nfs/dbraw/zinc/52/86/41/350528641.db2.gz JUICBKNLNUDRHA-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(C1)CCCO2 ZINC000600191088 350536019 /nfs/dbraw/zinc/53/60/19/350536019.db2.gz UFFLXYUMVMIEJT-JYRVWZFOSA-N 1 2 288.347 2.863 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601170588 350687924 /nfs/dbraw/zinc/68/79/24/350687924.db2.gz BIBHDCWTALWJLL-QMMMGPOBSA-N 1 2 279.275 2.518 20 5 CFBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000601198255 350694935 /nfs/dbraw/zinc/69/49/35/350694935.db2.gz SRKMDGWYHXBMFA-UHFFFAOYSA-N 1 2 260.297 2.639 20 5 CFBDLO C[N@H+](Cc1ccns1)Cc1ccccc1[N+](=O)[O-] ZINC000602441312 350883694 /nfs/dbraw/zinc/88/36/94/350883694.db2.gz XDRFEDBYTUZTLX-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1ccns1)Cc1ccccc1[N+](=O)[O-] ZINC000602441312 350883695 /nfs/dbraw/zinc/88/36/95/350883695.db2.gz XDRFEDBYTUZTLX-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[C@H](c1ccco1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602798939 351028927 /nfs/dbraw/zinc/02/89/27/351028927.db2.gz YXKTUWRXCXNSNC-SNVBAGLBSA-N 1 2 290.323 2.647 20 5 CFBDLO C[C@H](c1ccco1)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602798939 351028930 /nfs/dbraw/zinc/02/89/30/351028930.db2.gz YXKTUWRXCXNSNC-SNVBAGLBSA-N 1 2 290.323 2.647 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000603407496 351158175 /nfs/dbraw/zinc/15/81/75/351158175.db2.gz UNRGYVYCAYXAET-UHFFFAOYSA-N 1 2 275.312 2.677 20 5 CFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000610484340 351569854 /nfs/dbraw/zinc/56/98/54/351569854.db2.gz UEHGFYUBKQOEEO-UHFFFAOYSA-N 1 2 298.302 2.868 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610677426 351591299 /nfs/dbraw/zinc/59/12/99/351591299.db2.gz FOVDDNZGBIKQAL-ZDUSSCGKSA-N 1 2 286.335 2.941 20 5 CFBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786795 351608467 /nfs/dbraw/zinc/60/84/67/351608467.db2.gz VHQLDFKLYQJRNZ-MRVPVSSYSA-N 1 2 291.307 2.756 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502202 351699452 /nfs/dbraw/zinc/69/94/52/351699452.db2.gz PHJJZLGGSCVZSV-CABZTGNLSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502202 351699455 /nfs/dbraw/zinc/69/94/55/351699455.db2.gz PHJJZLGGSCVZSV-CABZTGNLSA-N 1 2 270.279 2.914 20 5 CFBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000613384143 351948723 /nfs/dbraw/zinc/94/87/23/351948723.db2.gz JZYXAABVPIMVAO-UHFFFAOYSA-N 1 2 266.272 2.504 20 5 CFBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000613384143 351948725 /nfs/dbraw/zinc/94/87/25/351948725.db2.gz JZYXAABVPIMVAO-UHFFFAOYSA-N 1 2 266.272 2.504 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000614452928 352096070 /nfs/dbraw/zinc/09/60/70/352096070.db2.gz OQLFKVWMFCAHSC-IMMZDGJCSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000614452928 352096072 /nfs/dbraw/zinc/09/60/72/352096072.db2.gz OQLFKVWMFCAHSC-IMMZDGJCSA-N 1 2 288.347 2.719 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156155858 188245744 /nfs/dbraw/zinc/24/57/44/188245744.db2.gz HWRDDZKKQBQMAO-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156155858 188245746 /nfs/dbraw/zinc/24/57/46/188245746.db2.gz HWRDDZKKQBQMAO-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000675057243 540643837 /nfs/dbraw/zinc/64/38/37/540643837.db2.gz ZBMHFKPANJUVNF-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000675057243 540643839 /nfs/dbraw/zinc/64/38/39/540643839.db2.gz ZBMHFKPANJUVNF-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO CCCc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180392365 189252503 /nfs/dbraw/zinc/25/25/03/189252503.db2.gz SLVFDRLIKXEZMH-SNVBAGLBSA-N 1 2 290.323 2.781 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183251519 189351939 /nfs/dbraw/zinc/35/19/39/189351939.db2.gz UVRSPPIUGFZLQO-AWEZNQCLSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183251519 189351940 /nfs/dbraw/zinc/35/19/40/189351940.db2.gz UVRSPPIUGFZLQO-AWEZNQCLSA-N 1 2 264.325 2.514 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CCC(n2cc[nH+]c2)CC1 ZINC000301939836 201269939 /nfs/dbraw/zinc/26/99/39/201269939.db2.gz UBQYHKLVFUGSCH-UHFFFAOYSA-N 1 2 278.337 2.694 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434841759 240275910 /nfs/dbraw/zinc/27/59/10/240275910.db2.gz ZMXKGTARGIMGRL-UHFFFAOYSA-N 1 2 287.275 2.961 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434841759 240275917 /nfs/dbraw/zinc/27/59/17/240275917.db2.gz ZMXKGTARGIMGRL-UHFFFAOYSA-N 1 2 287.275 2.961 20 5 CFBDLO Cc1c(C[N@@H+]2CCc3ncsc3C2)cccc1[N+](=O)[O-] ZINC000446082804 241275257 /nfs/dbraw/zinc/27/52/57/241275257.db2.gz RLHLJZPQTNGIKD-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1c(C[N@H+]2CCc3ncsc3C2)cccc1[N+](=O)[O-] ZINC000446082804 241275261 /nfs/dbraw/zinc/27/52/61/241275261.db2.gz RLHLJZPQTNGIKD-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000016445176 372107220 /nfs/dbraw/zinc/10/72/20/372107220.db2.gz XJCUPNWMUMRHEU-VIFPVBQESA-N 1 2 297.742 2.671 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccn1 ZINC000035125199 372544195 /nfs/dbraw/zinc/54/41/95/372544195.db2.gz QZYIRHVQSFLPLQ-LLVKDONJSA-N 1 2 287.319 2.849 20 5 CFBDLO Cc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000051575538 373401338 /nfs/dbraw/zinc/40/13/38/373401338.db2.gz GYKBXLZYZFLAQY-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492089624 246183444 /nfs/dbraw/zinc/18/34/44/246183444.db2.gz VKFVKCFDFPMLLZ-YVMONPNESA-N 1 2 297.314 2.626 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000112532175 375929246 /nfs/dbraw/zinc/92/92/46/375929246.db2.gz UJGIIFBLFCVSCT-IUCAKERBSA-N 1 2 276.296 2.698 20 5 CFBDLO COC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000125453702 377156574 /nfs/dbraw/zinc/15/65/74/377156574.db2.gz MZRBAMIPLWMYCE-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000125453702 377156581 /nfs/dbraw/zinc/15/65/81/377156581.db2.gz MZRBAMIPLWMYCE-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO CC1(C)COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130865992 377622792 /nfs/dbraw/zinc/62/27/92/377622792.db2.gz CDCPWYZUVPHMAD-FNORWQNLSA-N 1 2 276.336 2.719 20 5 CFBDLO CC1(C)COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130865992 377622797 /nfs/dbraw/zinc/62/27/97/377622797.db2.gz CDCPWYZUVPHMAD-FNORWQNLSA-N 1 2 276.336 2.719 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000131978546 377787608 /nfs/dbraw/zinc/78/76/08/377787608.db2.gz YQROFXOLFJLDEB-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000131978546 377787615 /nfs/dbraw/zinc/78/76/15/377787615.db2.gz YQROFXOLFJLDEB-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1nc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000133213175 377913482 /nfs/dbraw/zinc/91/34/82/377913482.db2.gz VVSUPNRUBZVLGN-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)n1)c1[nH]cc[nH+]1 ZINC000139774847 378237269 /nfs/dbraw/zinc/23/72/69/378237269.db2.gz AIKMZVCUYGYBRV-SECBINFHSA-N 1 2 261.285 2.585 20 5 CFBDLO C[C@@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332240578 378739797 /nfs/dbraw/zinc/73/97/97/378739797.db2.gz URFDALISEHCPNP-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332240578 378739799 /nfs/dbraw/zinc/73/97/99/378739799.db2.gz URFDALISEHCPNP-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000163248925 378961989 /nfs/dbraw/zinc/96/19/89/378961989.db2.gz KHXISKUYNPXYDD-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175028763 379981987 /nfs/dbraw/zinc/98/19/87/379981987.db2.gz KULJCGMJCCZYHS-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175028763 379981992 /nfs/dbraw/zinc/98/19/92/379981992.db2.gz KULJCGMJCCZYHS-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175107444 379998194 /nfs/dbraw/zinc/99/81/94/379998194.db2.gz GRCUOOIPGUVYBH-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1nccs1 ZINC000175107444 379998199 /nfs/dbraw/zinc/99/81/99/379998199.db2.gz GRCUOOIPGUVYBH-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1OC ZINC000341340956 380949341 /nfs/dbraw/zinc/94/93/41/380949341.db2.gz PNULQKXYRJQXBG-UHFFFAOYSA-N 1 2 290.275 2.586 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000341335888 380945705 /nfs/dbraw/zinc/94/57/05/380945705.db2.gz GHOCXDKAOVDNNF-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000411882053 381046440 /nfs/dbraw/zinc/04/64/40/381046440.db2.gz LXJUZHFRPWRQND-QMMMGPOBSA-N 1 2 279.321 2.608 20 5 CFBDLO COc1cccc(NCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295774274 381067789 /nfs/dbraw/zinc/06/77/89/381067789.db2.gz QDQCORFWKZAMFX-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000347350088 381089077 /nfs/dbraw/zinc/08/90/77/381089077.db2.gz JFTGEYAEYSATPB-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(F)C1 ZINC000347350088 381089088 /nfs/dbraw/zinc/08/90/88/381089088.db2.gz JFTGEYAEYSATPB-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000369503548 381276821 /nfs/dbraw/zinc/27/68/21/381276821.db2.gz MMUWLSCGGIWUIL-IINYFYTJSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000369503548 381276827 /nfs/dbraw/zinc/27/68/27/381276827.db2.gz MMUWLSCGGIWUIL-IINYFYTJSA-N 1 2 296.754 2.859 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccnn1C ZINC000348397852 381550758 /nfs/dbraw/zinc/55/07/58/381550758.db2.gz GWUHHVJXQGFBDD-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccnn1C ZINC000348397852 381550767 /nfs/dbraw/zinc/55/07/67/381550767.db2.gz GWUHHVJXQGFBDD-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000293384581 382102900 /nfs/dbraw/zinc/10/29/00/382102900.db2.gz KCOSIGXRYDOQQI-JGVFFNPUSA-N 1 2 256.252 2.713 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000293384581 382102902 /nfs/dbraw/zinc/10/29/02/382102902.db2.gz KCOSIGXRYDOQQI-JGVFFNPUSA-N 1 2 256.252 2.713 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000364040724 382252429 /nfs/dbraw/zinc/25/24/29/382252429.db2.gz ZAYATFXZHFTSHD-LLVKDONJSA-N 1 2 294.261 2.938 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000352405626 382312704 /nfs/dbraw/zinc/31/27/04/382312704.db2.gz NNVXVIDDJPVLQG-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000352405626 382312708 /nfs/dbraw/zinc/31/27/08/382312708.db2.gz NNVXVIDDJPVLQG-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294030769 382387091 /nfs/dbraw/zinc/38/70/91/382387091.db2.gz OFVHFEOSKHHUCV-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294030769 382387099 /nfs/dbraw/zinc/38/70/99/382387099.db2.gz OFVHFEOSKHHUCV-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO COC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358204854 382504892 /nfs/dbraw/zinc/50/48/92/382504892.db2.gz QCUSGBLHARCFRN-AWEZNQCLSA-N 1 2 292.379 2.931 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353177181 382514837 /nfs/dbraw/zinc/51/48/37/382514837.db2.gz VPEFPOSQFYTVAK-LBPRGKRZSA-N 1 2 270.279 2.867 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353177181 382514841 /nfs/dbraw/zinc/51/48/41/382514841.db2.gz VPEFPOSQFYTVAK-LBPRGKRZSA-N 1 2 270.279 2.867 20 5 CFBDLO Cc1nocc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000295282614 382607012 /nfs/dbraw/zinc/60/70/12/382607012.db2.gz IMSYLABRTAJFAT-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1nocc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000295282614 382607017 /nfs/dbraw/zinc/60/70/17/382607017.db2.gz IMSYLABRTAJFAT-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421559579 382580458 /nfs/dbraw/zinc/58/04/58/382580458.db2.gz OUGFTFORGYGRJO-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000207109641 382773962 /nfs/dbraw/zinc/77/39/62/382773962.db2.gz RHTJUYMMBKGQHW-UHFFFAOYSA-N 1 2 272.308 2.702 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000207109641 382773964 /nfs/dbraw/zinc/77/39/64/382773964.db2.gz RHTJUYMMBKGQHW-UHFFFAOYSA-N 1 2 272.308 2.702 20 5 CFBDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000337309088 382799325 /nfs/dbraw/zinc/79/93/25/382799325.db2.gz VKVHOVIBXSIDLI-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000578309000 382908760 /nfs/dbraw/zinc/90/87/60/382908760.db2.gz WWWNXSOCTDJSSC-AWEZNQCLSA-N 1 2 294.376 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000578309000 382908764 /nfs/dbraw/zinc/90/87/64/382908764.db2.gz WWWNXSOCTDJSSC-AWEZNQCLSA-N 1 2 294.376 2.628 20 5 CFBDLO CCc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000230706717 382862807 /nfs/dbraw/zinc/86/28/07/382862807.db2.gz LKAHCBURFSUZFB-UHFFFAOYSA-N 1 2 277.349 2.904 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493708014 382880398 /nfs/dbraw/zinc/88/03/98/382880398.db2.gz PTYBKQOKSMHIAP-ONEGZZNKSA-N 1 2 286.291 2.587 20 5 CFBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245537799 383004723 /nfs/dbraw/zinc/00/47/23/383004723.db2.gz JEFRSIBOBZFSSA-YTDWTQRBSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000245537799 383004727 /nfs/dbraw/zinc/00/47/27/383004727.db2.gz JEFRSIBOBZFSSA-YTDWTQRBSA-N 1 2 276.336 2.717 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C)C1 ZINC000245517181 383004760 /nfs/dbraw/zinc/00/47/60/383004760.db2.gz GSBNKRVGIWKSDF-RYUDHWBXSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C)C1 ZINC000245517181 383004761 /nfs/dbraw/zinc/00/47/61/383004761.db2.gz GSBNKRVGIWKSDF-RYUDHWBXSA-N 1 2 264.325 2.685 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC1(F)F ZINC000339203958 383183296 /nfs/dbraw/zinc/18/32/96/383183296.db2.gz NOXJLEUVEFRZNW-VIFPVBQESA-N 1 2 286.278 2.778 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC1(F)F ZINC000339203958 383183297 /nfs/dbraw/zinc/18/32/97/383183297.db2.gz NOXJLEUVEFRZNW-VIFPVBQESA-N 1 2 286.278 2.778 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](F)C1 ZINC000449387200 383256255 /nfs/dbraw/zinc/25/62/55/383256255.db2.gz KVWDYOLJBKNBOL-PYEVWLCESA-N 1 2 250.273 2.652 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](F)C1 ZINC000449387200 383256263 /nfs/dbraw/zinc/25/62/63/383256263.db2.gz KVWDYOLJBKNBOL-PYEVWLCESA-N 1 2 250.273 2.652 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](F)C1 ZINC000449390216 383257651 /nfs/dbraw/zinc/25/76/51/383257651.db2.gz VJCUBKQSIAIKJI-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](F)C1 ZINC000449390216 383257655 /nfs/dbraw/zinc/25/76/55/383257655.db2.gz VJCUBKQSIAIKJI-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339617966 383264074 /nfs/dbraw/zinc/26/40/74/383264074.db2.gz GBWRCNXWTSJVQO-RWMBFGLXSA-N 1 2 277.368 2.680 20 5 CFBDLO O=C1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000568899523 383449097 /nfs/dbraw/zinc/44/90/97/383449097.db2.gz QUOHSJRXHQDEAB-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO O=C1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000568899523 383449108 /nfs/dbraw/zinc/44/91/08/383449108.db2.gz QUOHSJRXHQDEAB-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO Cc1cnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450821827 383504058 /nfs/dbraw/zinc/50/40/58/383504058.db2.gz ALHXALOENRPNRT-ZJUUUORDSA-N 1 2 273.296 2.613 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000450834777 383511853 /nfs/dbraw/zinc/51/18/53/383511853.db2.gz VMGDWGQERHYCFA-SNVBAGLBSA-N 1 2 292.343 2.509 20 5 CFBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000429713803 383562032 /nfs/dbraw/zinc/56/20/32/383562032.db2.gz VWTUVIGCFKAINS-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000429713803 383562039 /nfs/dbraw/zinc/56/20/39/383562039.db2.gz VWTUVIGCFKAINS-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000570974174 383652141 /nfs/dbraw/zinc/65/21/41/383652141.db2.gz NPLOKVASXWCRRH-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000570974174 383652144 /nfs/dbraw/zinc/65/21/44/383652144.db2.gz NPLOKVASXWCRRH-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269906215 384901467 /nfs/dbraw/zinc/90/14/67/384901467.db2.gz HAJVNXGEYKWQCW-LBPRGKRZSA-N 1 2 274.324 2.848 20 5 CFBDLO CO[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413262047 533099344 /nfs/dbraw/zinc/09/93/44/533099344.db2.gz UCNYFZFJFDXTSA-SECBINFHSA-N 1 2 261.281 2.590 20 5 CFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCF)cs2)c1 ZINC000280629474 385092037 /nfs/dbraw/zinc/09/20/37/385092037.db2.gz GXBJCRVVSBPSEU-UHFFFAOYSA-N 1 2 281.312 2.777 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275232507 385961779 /nfs/dbraw/zinc/96/17/79/385961779.db2.gz NEPXHMGQDKURSY-GHMZBOCLSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275232507 385961783 /nfs/dbraw/zinc/96/17/83/385961783.db2.gz NEPXHMGQDKURSY-GHMZBOCLSA-N 1 2 262.309 2.567 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NCc1c[nH+]cn1C ZINC000268429152 132008469 /nfs/dbraw/zinc/00/84/69/132008469.db2.gz IKXCNQLJZPKDHJ-UHFFFAOYSA-N 1 2 260.297 2.557 20 5 CFBDLO O=[N+]([O-])c1ccc(SCCn2cc[nH+]c2)c(F)c1 ZINC000184518194 393529370 /nfs/dbraw/zinc/52/93/70/393529370.db2.gz KMZZMSCIMHKWCF-UHFFFAOYSA-N 1 2 267.285 2.723 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424323372 393828973 /nfs/dbraw/zinc/82/89/73/393828973.db2.gz MANHBXPJYPFNBX-UONOGXRCSA-N 1 2 298.346 2.560 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348238748 393949376 /nfs/dbraw/zinc/94/93/76/393949376.db2.gz ZGGXAOFNVUOWKB-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348238748 393949378 /nfs/dbraw/zinc/94/93/78/393949378.db2.gz ZGGXAOFNVUOWKB-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO CCOCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119615437 393921816 /nfs/dbraw/zinc/92/18/16/393921816.db2.gz HQOADEZCBZJXLJ-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO CCOCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119615437 393921823 /nfs/dbraw/zinc/92/18/23/393921823.db2.gz HQOADEZCBZJXLJ-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO Cc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000352709421 394018280 /nfs/dbraw/zinc/01/82/80/394018280.db2.gz LMEIMHICMAXKNT-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000352709421 394018283 /nfs/dbraw/zinc/01/82/83/394018283.db2.gz LMEIMHICMAXKNT-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000430209583 393968891 /nfs/dbraw/zinc/96/88/91/393968891.db2.gz RVDJTSCXIPDXSQ-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(F)C1 ZINC000430209583 393968894 /nfs/dbraw/zinc/96/88/94/393968894.db2.gz RVDJTSCXIPDXSQ-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450825922 394340814 /nfs/dbraw/zinc/34/08/14/394340814.db2.gz FXXFPZSNBSFYGV-MWLCHTKSSA-N 1 2 273.296 2.613 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](F)C3)co2)cc1 ZINC000451201319 394367981 /nfs/dbraw/zinc/36/79/81/394367981.db2.gz UREXRORZCPGDMC-LLVKDONJSA-N 1 2 291.282 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](F)C3)co2)cc1 ZINC000451201319 394367982 /nfs/dbraw/zinc/36/79/82/394367982.db2.gz UREXRORZCPGDMC-LLVKDONJSA-N 1 2 291.282 2.794 20 5 CFBDLO CCOc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000451201817 394368224 /nfs/dbraw/zinc/36/82/24/394368224.db2.gz VSHYCQWBRJPOGZ-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO CCOc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000451201817 394368226 /nfs/dbraw/zinc/36/82/26/394368226.db2.gz VSHYCQWBRJPOGZ-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000540953368 394659278 /nfs/dbraw/zinc/65/92/78/394659278.db2.gz HDGMROTXFRYDJF-VIFPVBQESA-N 1 2 292.364 2.914 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603656 394939753 /nfs/dbraw/zinc/93/97/53/394939753.db2.gz QKUJGCYTPIYENR-IAQYHMDHSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603656 394939758 /nfs/dbraw/zinc/93/97/58/394939758.db2.gz QKUJGCYTPIYENR-IAQYHMDHSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@H](C1CC1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556799542 395015829 /nfs/dbraw/zinc/01/58/29/395015829.db2.gz QMFTYHOPTJHQBM-SECBINFHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@H](C1CC1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000556799542 395015832 /nfs/dbraw/zinc/01/58/32/395015832.db2.gz QMFTYHOPTJHQBM-SECBINFHSA-N 1 2 250.298 2.531 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000364033283 296506530 /nfs/dbraw/zinc/50/65/30/296506530.db2.gz LFEZHBRZPAMZAG-GFCCVEGCSA-N 1 2 258.281 2.659 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092017537 292102322 /nfs/dbraw/zinc/10/23/22/292102322.db2.gz CCCMEZDRNBPSRH-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092017537 292102324 /nfs/dbraw/zinc/10/23/24/292102324.db2.gz CCCMEZDRNBPSRH-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000285559585 397632734 /nfs/dbraw/zinc/63/27/34/397632734.db2.gz JCSYHRRLWRAGFW-GFCCVEGCSA-N 1 2 275.312 2.831 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438382499 286309197 /nfs/dbraw/zinc/30/91/97/286309197.db2.gz PDDASBNCJMAOKR-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438382499 286309198 /nfs/dbraw/zinc/30/91/98/286309198.db2.gz PDDASBNCJMAOKR-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c[nH+]1 ZINC000345713791 154248590 /nfs/dbraw/zinc/24/85/90/154248590.db2.gz URLICVRLHYKULL-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355792991 155089840 /nfs/dbraw/zinc/08/98/40/155089840.db2.gz WSXBDYPRGHWOLZ-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355792991 155089841 /nfs/dbraw/zinc/08/98/41/155089841.db2.gz WSXBDYPRGHWOLZ-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000365783019 156231083 /nfs/dbraw/zinc/23/10/83/156231083.db2.gz BUXCHFBIPXADGI-FZMZJTMJSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H]1c1ccccc1 ZINC000365783019 156231085 /nfs/dbraw/zinc/23/10/85/156231085.db2.gz BUXCHFBIPXADGI-FZMZJTMJSA-N 1 2 286.335 2.521 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])nc3)cn21 ZINC000344416824 162039251 /nfs/dbraw/zinc/03/92/51/162039251.db2.gz JOIPVUFCWMCUCO-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn[nH]c1C ZINC000344840921 162132413 /nfs/dbraw/zinc/13/24/13/162132413.db2.gz GECDMFNBYRXQJZ-WDZFZDKYSA-N 1 2 286.335 2.819 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccnn1C ZINC000348397853 287152122 /nfs/dbraw/zinc/15/21/22/287152122.db2.gz GWUHHVJXQGFBDD-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccnn1C ZINC000348397853 287152123 /nfs/dbraw/zinc/15/21/23/287152123.db2.gz GWUHHVJXQGFBDD-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285687685 196366638 /nfs/dbraw/zinc/36/66/38/196366638.db2.gz OFJMDPWEJLUWCH-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285687685 196366639 /nfs/dbraw/zinc/36/66/39/196366639.db2.gz OFJMDPWEJLUWCH-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000044692637 175234000 /nfs/dbraw/zinc/23/40/00/175234000.db2.gz SEUHKBPEIWMDGK-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351971139 277377526 /nfs/dbraw/zinc/37/75/26/277377526.db2.gz POSAECNEGLTZPK-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351971139 277377527 /nfs/dbraw/zinc/37/75/27/277377527.db2.gz POSAECNEGLTZPK-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449350784 278125215 /nfs/dbraw/zinc/12/52/15/278125215.db2.gz NJIGTZLMGXCHHW-CYBMUJFWSA-N 1 2 268.288 2.624 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449350784 278125216 /nfs/dbraw/zinc/12/52/16/278125216.db2.gz NJIGTZLMGXCHHW-CYBMUJFWSA-N 1 2 268.288 2.624 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(C(F)F)CC1 ZINC000337278436 280374414 /nfs/dbraw/zinc/37/44/14/280374414.db2.gz HMMRWJZVALPNJS-HWKANZROSA-N 1 2 268.263 2.995 20 5 CFBDLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000393328747 281192689 /nfs/dbraw/zinc/19/26/89/281192689.db2.gz XNHADWNERNEUKD-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1[N+](=O)[O-] ZINC000393321015 281192761 /nfs/dbraw/zinc/19/27/61/281192761.db2.gz AFBXPHRSWOXNJY-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000112078079 281259183 /nfs/dbraw/zinc/25/91/83/281259183.db2.gz KWTZDFWRPFWKFP-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2C3CCC2CC3)c(F)c1 ZINC000556811730 281947583 /nfs/dbraw/zinc/94/75/83/281947583.db2.gz BZKJSZDITBAHFL-UHFFFAOYSA-N 1 2 268.263 3.000 20 5 CFBDLO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000411972849 294107965 /nfs/dbraw/zinc/10/79/65/294107965.db2.gz QSKDMKQBDYDTLM-BONVTDFDSA-N 1 2 294.351 2.594 20 5 CFBDLO Cc1c(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000583302432 325276066 /nfs/dbraw/zinc/27/60/66/325276066.db2.gz RDNSDWGSJCYVIJ-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1c(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cnn1C ZINC000583302432 325276067 /nfs/dbraw/zinc/27/60/67/325276067.db2.gz RDNSDWGSJCYVIJ-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000194697642 525238443 /nfs/dbraw/zinc/23/84/43/525238443.db2.gz HHMVMGSBBGGTGV-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000049240937 526666583 /nfs/dbraw/zinc/66/65/83/526666583.db2.gz YNWBKPKFMHGYBT-BDAKNGLRSA-N 1 2 276.296 2.698 20 5 CFBDLO CC(C)[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149371 528634966 /nfs/dbraw/zinc/63/49/66/528634966.db2.gz BKEAITCTMLSUBF-ZDUSSCGKSA-N 1 2 275.308 2.572 20 5 CFBDLO CC[C@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413188195 529328065 /nfs/dbraw/zinc/32/80/65/529328065.db2.gz UDGWSTQYIPKXIA-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000753833550 574050048 /nfs/dbraw/zinc/05/00/48/574050048.db2.gz FJJAGVMOSUCCQC-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000753833550 574050050 /nfs/dbraw/zinc/05/00/50/574050050.db2.gz FJJAGVMOSUCCQC-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO CCC[N@@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746034508 574131818 /nfs/dbraw/zinc/13/18/18/574131818.db2.gz SRROHROINHTUIZ-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO CCC[N@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746034508 574131820 /nfs/dbraw/zinc/13/18/20/574131820.db2.gz SRROHROINHTUIZ-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000729684997 574228808 /nfs/dbraw/zinc/22/88/08/574228808.db2.gz ZYXFJGBZULLQPO-ZETCQYMHSA-N 1 2 296.714 2.790 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000735833091 574337637 /nfs/dbraw/zinc/33/76/37/574337637.db2.gz XOYCIWJUMSZRTQ-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054423 619275398 /nfs/dbraw/zinc/27/53/98/619275398.db2.gz UYHYEILWLJWMBS-MFKMUULPSA-N 1 2 264.325 2.644 20 5 CFBDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054423 619275401 /nfs/dbraw/zinc/27/54/01/619275401.db2.gz UYHYEILWLJWMBS-MFKMUULPSA-N 1 2 264.325 2.644 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000894830433 619476333 /nfs/dbraw/zinc/47/63/33/619476333.db2.gz ODIPEHXJPMVJTF-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO CCn1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000902460037 621095874 /nfs/dbraw/zinc/09/58/74/621095874.db2.gz FPJDQKKYVGDQEX-NSHDSACASA-N 1 2 274.324 2.662 20 5 CFBDLO Cc1cc(C)c(C(=O)NCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000906239912 621963520 /nfs/dbraw/zinc/96/35/20/621963520.db2.gz KGWKNSCMIHAPQK-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090165554 623510815 /nfs/dbraw/zinc/51/08/15/623510815.db2.gz RSDPEPDGWMICHL-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917425240 624342364 /nfs/dbraw/zinc/34/23/64/624342364.db2.gz VELFWUIYOKJEIM-AWEZNQCLSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917425240 624342369 /nfs/dbraw/zinc/34/23/69/624342369.db2.gz VELFWUIYOKJEIM-AWEZNQCLSA-N 1 2 286.335 2.894 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000839197223 626531986 /nfs/dbraw/zinc/53/19/86/626531986.db2.gz VOTXSUALPAZZAB-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000851753783 634512689 /nfs/dbraw/zinc/51/26/89/634512689.db2.gz ZMGNKQGNAMKHQJ-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3c(C)cccc3C2)c1[N+](=O)[O-] ZINC000851753783 634512693 /nfs/dbraw/zinc/51/26/93/634512693.db2.gz ZMGNKQGNAMKHQJ-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000766090134 627177419 /nfs/dbraw/zinc/17/74/19/627177419.db2.gz ICYQANWCRUAEMD-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000766090134 627177422 /nfs/dbraw/zinc/17/74/22/627177422.db2.gz ICYQANWCRUAEMD-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO CN(C)c1cc(COc2c(F)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000766391635 627199077 /nfs/dbraw/zinc/19/90/77/627199077.db2.gz BDFPSDOISJFRGN-UHFFFAOYSA-N 1 2 291.282 2.774 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000770690527 627541983 /nfs/dbraw/zinc/54/19/83/627541983.db2.gz XTEULKGLYNULAV-LBPRGKRZSA-N 1 2 296.323 2.619 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894069 627868500 /nfs/dbraw/zinc/86/85/00/627868500.db2.gz RODRWCKNQQLFDC-GFCCVEGCSA-N 1 2 278.352 2.667 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2F)c(F)c1 ZINC000793281330 629519573 /nfs/dbraw/zinc/51/95/73/629519573.db2.gz OEKJOHXDAUDZDR-UHFFFAOYSA-N 1 2 279.246 2.558 20 5 CFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(Br)CC1 ZINC000846765020 632790837 /nfs/dbraw/zinc/79/08/37/632790837.db2.gz KAFFCRCMYXGWCQ-UHFFFAOYSA-N 1 2 299.168 2.954 20 5 CFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(Br)CC1 ZINC000846765020 632790841 /nfs/dbraw/zinc/79/08/41/632790841.db2.gz KAFFCRCMYXGWCQ-UHFFFAOYSA-N 1 2 299.168 2.954 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1F ZINC000878876733 644058191 /nfs/dbraw/zinc/05/81/91/644058191.db2.gz RYZVGFDOYHESJM-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1F ZINC000878876733 644058195 /nfs/dbraw/zinc/05/81/95/644058195.db2.gz RYZVGFDOYHESJM-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774468 650963258 /nfs/dbraw/zinc/96/32/58/650963258.db2.gz WVGNQGJRKUQFSK-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774468 650963262 /nfs/dbraw/zinc/96/32/62/650963262.db2.gz WVGNQGJRKUQFSK-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO CC(C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000130270383 645477360 /nfs/dbraw/zinc/47/73/60/645477360.db2.gz SGSMVTMGVWVGNA-UHFFFAOYSA-N 1 2 299.290 2.954 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000885931361 646773163 /nfs/dbraw/zinc/77/31/63/646773163.db2.gz RZWYARQZWZTLID-SNVBAGLBSA-N 1 2 289.257 2.764 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000885931361 646773165 /nfs/dbraw/zinc/77/31/65/646773165.db2.gz RZWYARQZWZTLID-SNVBAGLBSA-N 1 2 289.257 2.764 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000886035773 646832942 /nfs/dbraw/zinc/83/29/42/646832942.db2.gz QNVYIWYPDNOSNG-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000886035773 646832945 /nfs/dbraw/zinc/83/29/45/646832945.db2.gz QNVYIWYPDNOSNG-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000886090185 646862410 /nfs/dbraw/zinc/86/24/10/646862410.db2.gz RMJUBSSKBZYYAW-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000886090185 646862414 /nfs/dbraw/zinc/86/24/14/646862414.db2.gz RMJUBSSKBZYYAW-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc(C3CC3)no2)cs1 ZINC000886272369 646944766 /nfs/dbraw/zinc/94/47/66/646944766.db2.gz OABWMJKKFNERDG-UHFFFAOYSA-N 1 2 279.321 2.812 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452373 649430412 /nfs/dbraw/zinc/43/04/12/649430412.db2.gz JHOWYLQQKBYERK-WDEREUQCSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452373 649430418 /nfs/dbraw/zinc/43/04/18/649430418.db2.gz JHOWYLQQKBYERK-WDEREUQCSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ncccn1)c1ccc([N+](=O)[O-])cc1 ZINC000932178569 649559799 /nfs/dbraw/zinc/55/97/99/649559799.db2.gz QSHCSXQMQSQDHM-GHMZBOCLSA-N 1 2 272.308 2.797 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001225574847 775508123 /nfs/dbraw/zinc/50/81/23/775508123.db2.gz HSZPVZYMXCARKA-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CN1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219882 777479474 /nfs/dbraw/zinc/47/94/74/777479474.db2.gz VNDXZHAVVAFHKK-UHFFFAOYSA-N 1 2 292.386 2.530 20 5 CFBDLO COC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219357 777479802 /nfs/dbraw/zinc/47/98/02/777479802.db2.gz PZOHRYCISYZIPI-UHFFFAOYSA-N 1 2 279.343 2.614 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000595403276 349617378 /nfs/dbraw/zinc/61/73/78/349617378.db2.gz KAVYZZBFUOTIDA-UHFFFAOYSA-N 1 2 286.253 2.965 20 5 CFBDLO Cc1noc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000595424906 349621631 /nfs/dbraw/zinc/62/16/31/349621631.db2.gz ISYLRDGXOOOGQT-CYBMUJFWSA-N 1 2 288.307 2.527 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468756 349636873 /nfs/dbraw/zinc/63/68/73/349636873.db2.gz LFUZMWPINNSNLT-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468756 349636877 /nfs/dbraw/zinc/63/68/77/349636877.db2.gz LFUZMWPINNSNLT-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595679196 349698189 /nfs/dbraw/zinc/69/81/89/349698189.db2.gz BSZAIARZLXHOGB-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595679196 349698202 /nfs/dbraw/zinc/69/82/02/349698202.db2.gz BSZAIARZLXHOGB-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO CCc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000414390796 529754504 /nfs/dbraw/zinc/75/45/04/529754504.db2.gz YVOBKUHBPBIBPK-UHFFFAOYSA-N 1 2 298.346 2.506 20 5 CFBDLO CCc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000414390796 529754505 /nfs/dbraw/zinc/75/45/05/529754505.db2.gz YVOBKUHBPBIBPK-UHFFFAOYSA-N 1 2 298.346 2.506 20 5 CFBDLO CN(CCCCCO)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413267754 529882220 /nfs/dbraw/zinc/88/22/20/529882220.db2.gz NNXLGTKQEUQKLA-UHFFFAOYSA-N 1 2 289.335 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3C[C@H](O)C34CCC4)c2c1 ZINC000596502732 349922448 /nfs/dbraw/zinc/92/24/48/349922448.db2.gz FXNNYCYWUDOWOT-KGLIPLIRSA-N 1 2 299.330 2.858 20 5 CFBDLO CCOc1cc(C[N@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000295097979 199343272 /nfs/dbraw/zinc/34/32/72/199343272.db2.gz BLVCXNVXUQRHKK-UHFFFAOYSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000295097979 199343273 /nfs/dbraw/zinc/34/32/73/199343273.db2.gz BLVCXNVXUQRHKK-UHFFFAOYSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4COC[C@H]4C3)c2c1 ZINC000596526414 349930509 /nfs/dbraw/zinc/93/05/09/349930509.db2.gz DQKGZHNAJGJQSS-CHWSQXEVSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000028625129 346276142 /nfs/dbraw/zinc/27/61/42/346276142.db2.gz HADMZSUDEDYSGA-UHFFFAOYSA-N 1 2 297.318 2.911 20 5 CFBDLO Cc1c(C[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051114785 346499707 /nfs/dbraw/zinc/49/97/07/346499707.db2.gz ZRBZJVOKKCIRAW-QWRGUYRKSA-N 1 2 264.325 2.512 20 5 CFBDLO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380101 346664473 /nfs/dbraw/zinc/66/44/73/346664473.db2.gz FGGAKCJVLUVYAB-JTQLQIEISA-N 1 2 278.287 2.679 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080970450 347390848 /nfs/dbraw/zinc/39/08/48/347390848.db2.gz MCOJTIAWHYVMHR-UHFFFAOYSA-N 1 2 283.291 2.787 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000088698458 347507015 /nfs/dbraw/zinc/50/70/15/347507015.db2.gz FRFOBSLSXPYIND-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000091454398 347586845 /nfs/dbraw/zinc/58/68/45/347586845.db2.gz BZBGSQYPLQRZRM-NSHDSACASA-N 1 2 260.297 2.540 20 5 CFBDLO CC[C@@H](C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091795990 347600014 /nfs/dbraw/zinc/60/00/14/347600014.db2.gz ZZNGNJAPRJHNBY-SNVBAGLBSA-N 1 2 252.314 2.778 20 5 CFBDLO CC[C@@H](C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091795990 347600018 /nfs/dbraw/zinc/60/00/18/347600018.db2.gz ZZNGNJAPRJHNBY-SNVBAGLBSA-N 1 2 252.314 2.778 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540215 347631493 /nfs/dbraw/zinc/63/14/93/347631493.db2.gz GXXUQEJCPWNNND-AOOOYVTPSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540215 347631494 /nfs/dbraw/zinc/63/14/94/347631494.db2.gz GXXUQEJCPWNNND-AOOOYVTPSA-N 1 2 282.365 2.626 20 5 CFBDLO CSCC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093558550 347679829 /nfs/dbraw/zinc/67/98/29/347679829.db2.gz KUFUJOSMDBOFBF-SNVBAGLBSA-N 1 2 284.381 2.874 20 5 CFBDLO CSCC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093558550 347679831 /nfs/dbraw/zinc/67/98/31/347679831.db2.gz KUFUJOSMDBOFBF-SNVBAGLBSA-N 1 2 284.381 2.874 20 5 CFBDLO CC(C)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093869078 347687131 /nfs/dbraw/zinc/68/71/31/347687131.db2.gz KVDYCYHUNQFOGC-CQSZACIVSA-N 1 2 296.392 2.874 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093869078 347687132 /nfs/dbraw/zinc/68/71/32/347687132.db2.gz KVDYCYHUNQFOGC-CQSZACIVSA-N 1 2 296.392 2.874 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3cccnc3C2)cc1 ZINC000585716574 348739895 /nfs/dbraw/zinc/73/98/95/348739895.db2.gz QEEIPEXIIZTZIG-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2Cc3cccnc3C2)cc1 ZINC000585716574 348739897 /nfs/dbraw/zinc/73/98/97/348739897.db2.gz QEEIPEXIIZTZIG-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO Cc1noc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773247 348750164 /nfs/dbraw/zinc/75/01/64/348750164.db2.gz UGXAEWWMKKFBHX-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1noc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773247 348750167 /nfs/dbraw/zinc/75/01/67/348750167.db2.gz UGXAEWWMKKFBHX-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC000590968860 348974477 /nfs/dbraw/zinc/97/44/77/348974477.db2.gz CUFWGYBNCMRBKZ-UHFFFAOYSA-N 1 2 276.670 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062926 348982899 /nfs/dbraw/zinc/98/28/99/348982899.db2.gz BQPBMGITGHRPBF-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062926 348982901 /nfs/dbraw/zinc/98/29/01/348982901.db2.gz BQPBMGITGHRPBF-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094218 349207918 /nfs/dbraw/zinc/20/79/18/349207918.db2.gz XRARSRBYGAMLGF-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094218 349207922 /nfs/dbraw/zinc/20/79/22/349207922.db2.gz XRARSRBYGAMLGF-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593061732 349198260 /nfs/dbraw/zinc/19/82/60/349198260.db2.gz DHCLDVXYGCZNGW-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000593061732 349198262 /nfs/dbraw/zinc/19/82/62/349198262.db2.gz DHCLDVXYGCZNGW-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063289 349199137 /nfs/dbraw/zinc/19/91/37/349199137.db2.gz LFSXCKXKYGSGLX-RISCZKNCSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063289 349199140 /nfs/dbraw/zinc/19/91/40/349199140.db2.gz LFSXCKXKYGSGLX-RISCZKNCSA-N 1 2 278.352 2.903 20 5 CFBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000594020874 349355586 /nfs/dbraw/zinc/35/55/86/349355586.db2.gz KMQFCDIEOICSFS-UHFFFAOYSA-N 1 2 252.314 2.921 20 5 CFBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000594020874 349355589 /nfs/dbraw/zinc/35/55/89/349355589.db2.gz KMQFCDIEOICSFS-UHFFFAOYSA-N 1 2 252.314 2.921 20 5 CFBDLO COCc1cc[nH+]c(NCc2csc([N+](=O)[O-])c2)c1 ZINC000593698507 349312307 /nfs/dbraw/zinc/31/23/07/349312307.db2.gz RGUKRNRDGSBKGL-UHFFFAOYSA-N 1 2 279.321 2.810 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594055078 349365319 /nfs/dbraw/zinc/36/53/19/349365319.db2.gz ZBIDYUYFESGYEL-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594055078 349365320 /nfs/dbraw/zinc/36/53/20/349365320.db2.gz ZBIDYUYFESGYEL-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1nccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598679241 350309326 /nfs/dbraw/zinc/30/93/26/350309326.db2.gz RDFPIROMOINFBG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000598679241 350309332 /nfs/dbraw/zinc/30/93/32/350309332.db2.gz RDFPIROMOINFBG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CC[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599037642 350363210 /nfs/dbraw/zinc/36/32/10/350363210.db2.gz JSOVQCCNRYOVTR-AWEZNQCLSA-N 1 2 275.308 2.716 20 5 CFBDLO CC[C@H](C)[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043485 350363348 /nfs/dbraw/zinc/36/33/48/350363348.db2.gz MXUFTRAVFVXEQQ-HZMBPMFUSA-N 1 2 289.335 2.962 20 5 CFBDLO CC(C)[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042919 350363722 /nfs/dbraw/zinc/36/37/22/350363722.db2.gz JJYGINULDPOWHO-OAHLLOKOSA-N 1 2 289.335 2.962 20 5 CFBDLO COC[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599046453 350364939 /nfs/dbraw/zinc/36/49/39/350364939.db2.gz JNBLIGUXOXICQK-NSHDSACASA-N 1 2 287.319 2.616 20 5 CFBDLO C[C@@H](O)C[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046753 350365186 /nfs/dbraw/zinc/36/51/86/350365186.db2.gz MKGSYVYCHSSXCU-WDEREUQCSA-N 1 2 289.335 2.962 20 5 CFBDLO O=[N+]([O-])c1c(NCC2(CO)CCC2)ccc2c[nH+]ccc21 ZINC000599065012 350368763 /nfs/dbraw/zinc/36/87/63/350368763.db2.gz GFBZFVVQNHYKBF-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOCC2(CC2)C1 ZINC000599066082 350368964 /nfs/dbraw/zinc/36/89/64/350368964.db2.gz OSNNTPNWNUSWSZ-UHFFFAOYSA-N 1 2 299.330 2.760 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H]2CC[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599079450 350371676 /nfs/dbraw/zinc/37/16/76/350371676.db2.gz KUMZBRJQZVVXOK-PWSUYJOCSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(C2CC2)C1 ZINC000599079309 350371851 /nfs/dbraw/zinc/37/18/51/350371851.db2.gz DJIJTEUGDLQKGG-UHFFFAOYSA-N 1 2 269.304 2.989 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2COC[C@H]2C1 ZINC000599110346 350377331 /nfs/dbraw/zinc/37/73/31/350377331.db2.gz RPQPOXNHJPSGAP-QWHCGFSZSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600203938 350538439 /nfs/dbraw/zinc/53/84/39/350538439.db2.gz GNGYRGZXWFNILV-MFBWXBCUSA-N 1 2 294.326 2.668 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](CCF)C1 ZINC000600203938 350538442 /nfs/dbraw/zinc/53/84/42/350538442.db2.gz GNGYRGZXWFNILV-MFBWXBCUSA-N 1 2 294.326 2.668 20 5 CFBDLO Cn1c[nH+]cc1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600571366 350572472 /nfs/dbraw/zinc/57/24/72/350572472.db2.gz UOZOVSWECMCODM-UHFFFAOYSA-N 1 2 293.348 2.641 20 5 CFBDLO Cc1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)cc1[N+](=O)[O-] ZINC000600791571 350612967 /nfs/dbraw/zinc/61/29/67/350612967.db2.gz RVUPONASLWAPSF-NSHDSACASA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(CC(F)F)C3)nc2c1 ZINC000602691451 350981595 /nfs/dbraw/zinc/98/15/95/350981595.db2.gz GKHKYZUFWSMHDF-UHFFFAOYSA-N 1 2 297.261 2.823 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCCn2nccc21 ZINC000603026848 351092022 /nfs/dbraw/zinc/09/20/22/351092022.db2.gz DKJAATFZLWKXDF-LBPRGKRZSA-N 1 2 290.298 2.555 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000603869834 351187995 /nfs/dbraw/zinc/18/79/95/351187995.db2.gz OZSIKRQVUUGHAO-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000603869834 351187998 /nfs/dbraw/zinc/18/79/98/351187998.db2.gz OZSIKRQVUUGHAO-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000604453357 351213136 /nfs/dbraw/zinc/21/31/36/351213136.db2.gz XVCFEFJIAYMKMM-UHFFFAOYSA-N 1 2 288.307 2.519 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1[nH]cc[nH+]1 ZINC000609536107 351506288 /nfs/dbraw/zinc/50/62/88/351506288.db2.gz KZGNXKBIRBGEIT-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000609560645 351507255 /nfs/dbraw/zinc/50/72/55/351507255.db2.gz DCXYYSVTEYAFNC-UHFFFAOYSA-N 1 2 278.337 2.694 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000610276318 351546470 /nfs/dbraw/zinc/54/64/70/351546470.db2.gz KZWYGXFAHYPVDL-SNVBAGLBSA-N 1 2 278.337 2.694 20 5 CFBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])nc3)[nH+]c12 ZINC000610468937 351568252 /nfs/dbraw/zinc/56/82/52/351568252.db2.gz ZKTOUHSUHABWTG-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180232 351648944 /nfs/dbraw/zinc/64/89/44/351648944.db2.gz VIILKUIZEHBHSA-UHFFFAOYSA-N 1 2 268.263 2.826 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501495 351698131 /nfs/dbraw/zinc/69/81/31/351698131.db2.gz CZRMDESQXRVBLV-CMPLNLGQSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501495 351698135 /nfs/dbraw/zinc/69/81/35/351698135.db2.gz CZRMDESQXRVBLV-CMPLNLGQSA-N 1 2 252.289 2.775 20 5 CFBDLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611293148 351665557 /nfs/dbraw/zinc/66/55/57/351665557.db2.gz RRJCATLWMOCPIW-LLVKDONJSA-N 1 2 287.319 2.855 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ncn1 ZINC000612187537 351786385 /nfs/dbraw/zinc/78/63/85/351786385.db2.gz XMQMVLQEZBGQHB-UHFFFAOYSA-N 1 2 292.726 2.636 20 5 CFBDLO Cc1nnsc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000291703301 198064027 /nfs/dbraw/zinc/06/40/27/198064027.db2.gz KKUQALOPCAKHDZ-UHFFFAOYSA-N 1 2 298.755 2.698 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1COCc1[nH]cc[nH+]1 ZINC000123879909 187112672 /nfs/dbraw/zinc/11/26/72/187112672.db2.gz BQMVQSFUOVSGPJ-UHFFFAOYSA-N 1 2 291.307 2.822 20 5 CFBDLO COc1ccc(NCC(C)=Cc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000615721939 352236069 /nfs/dbraw/zinc/23/60/69/352236069.db2.gz BWNYPHXCYFYMOS-XYOKQWHBSA-N 1 2 299.330 2.936 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccon1 ZINC000273501777 192177178 /nfs/dbraw/zinc/17/71/78/192177178.db2.gz YXFWMKYUZCOQDX-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccon1 ZINC000273501777 192177180 /nfs/dbraw/zinc/17/71/80/192177180.db2.gz YXFWMKYUZCOQDX-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000619531736 353033650 /nfs/dbraw/zinc/03/36/50/353033650.db2.gz XABXAFJSFYYXLL-MFKMUULPSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000619531736 353033653 /nfs/dbraw/zinc/03/36/53/353033653.db2.gz XABXAFJSFYYXLL-MFKMUULPSA-N 1 2 282.315 2.783 20 5 CFBDLO Cc1cc[nH+]cc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000619589428 353038767 /nfs/dbraw/zinc/03/87/67/353038767.db2.gz OLIUGYXTGNRFPN-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO COCCC1(C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000297326335 200149859 /nfs/dbraw/zinc/14/98/59/200149859.db2.gz DPUITKKXZPIROH-UHFFFAOYSA-N 1 2 270.354 2.515 20 5 CFBDLO C[N@H+](CCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179197320 189177064 /nfs/dbraw/zinc/17/70/64/189177064.db2.gz CUTPBJAGQKOLCN-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@@H+](CCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179197320 189177065 /nfs/dbraw/zinc/17/70/65/189177065.db2.gz CUTPBJAGQKOLCN-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO CN(CCn1cc[nH+]c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179197320 189177066 /nfs/dbraw/zinc/17/70/66/189177066.db2.gz CUTPBJAGQKOLCN-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2nccn21 ZINC000449569094 242040269 /nfs/dbraw/zinc/04/02/69/242040269.db2.gz GEFBOWUPTQKOND-ZANVPECISA-N 1 2 290.298 2.726 20 5 CFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449562088 242032142 /nfs/dbraw/zinc/03/21/42/242032142.db2.gz GRRQXTFFXFUXIT-VIFPVBQESA-N 1 2 280.353 2.724 20 5 CFBDLO CN(Cc1[nH+]ccn1C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000062251843 373756375 /nfs/dbraw/zinc/75/63/75/373756375.db2.gz OMTQTFVPKKNFJU-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000094774709 375377636 /nfs/dbraw/zinc/37/76/36/375377636.db2.gz XJUCJGYFKYIVJW-LSDHHAIUSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1F ZINC000094774709 375377642 /nfs/dbraw/zinc/37/76/42/375377642.db2.gz XJUCJGYFKYIVJW-LSDHHAIUSA-N 1 2 294.326 2.877 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774472 375377999 /nfs/dbraw/zinc/37/79/99/375377999.db2.gz CAWPBBHGYQFUBM-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774472 375378002 /nfs/dbraw/zinc/37/80/02/375378002.db2.gz CAWPBBHGYQFUBM-CMPLNLGQSA-N 1 2 282.315 2.733 20 5 CFBDLO CCCC[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505903109 247156213 /nfs/dbraw/zinc/15/62/13/247156213.db2.gz NGFHMRVRTBGGTO-UHFFFAOYSA-N 1 2 252.314 2.922 20 5 CFBDLO CCCC[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505903109 247156217 /nfs/dbraw/zinc/15/62/17/247156217.db2.gz NGFHMRVRTBGGTO-UHFFFAOYSA-N 1 2 252.314 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000120892081 376717121 /nfs/dbraw/zinc/71/71/21/376717121.db2.gz RAAUPIRGZHFMSB-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000120892081 376717127 /nfs/dbraw/zinc/71/71/27/376717127.db2.gz RAAUPIRGZHFMSB-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123703250 376969309 /nfs/dbraw/zinc/96/93/09/376969309.db2.gz NCNHWURARUJEDQ-FZMZJTMJSA-N 1 2 266.341 2.652 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnccn2)C2CC2)cc1 ZINC000571738738 383721964 /nfs/dbraw/zinc/72/19/64/383721964.db2.gz FKGLDJOGKQDBMC-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnccn2)C2CC2)cc1 ZINC000571738738 383721967 /nfs/dbraw/zinc/72/19/67/383721967.db2.gz FKGLDJOGKQDBMC-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO CCOc1cccc(N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134912252 378062315 /nfs/dbraw/zinc/06/23/15/378062315.db2.gz ZHCHIQHOPNLCTE-NSHDSACASA-N 1 2 290.323 2.691 20 5 CFBDLO Cc1noc(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153199270 378480333 /nfs/dbraw/zinc/48/03/33/378480333.db2.gz WNIJETDMVASSFP-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153199270 378480339 /nfs/dbraw/zinc/48/03/39/378480339.db2.gz WNIJETDMVASSFP-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000330412232 378548004 /nfs/dbraw/zinc/54/80/04/378548004.db2.gz AYZRMHZLVPIAPQ-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000330412232 378548006 /nfs/dbraw/zinc/54/80/06/378548006.db2.gz AYZRMHZLVPIAPQ-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO CC(C)[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330427402 378551674 /nfs/dbraw/zinc/55/16/74/378551674.db2.gz KJQFFXYFHYHAKQ-JTQLQIEISA-N 1 2 252.314 2.777 20 5 CFBDLO CC(C)[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330427402 378551677 /nfs/dbraw/zinc/55/16/77/378551677.db2.gz KJQFFXYFHYHAKQ-JTQLQIEISA-N 1 2 252.314 2.777 20 5 CFBDLO C[C@@H]1CCSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332246309 378739834 /nfs/dbraw/zinc/73/98/34/378739834.db2.gz BKCALZNKDUOJKO-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@@H]1CCSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332246309 378739835 /nfs/dbraw/zinc/73/98/35/378739835.db2.gz BKCALZNKDUOJKO-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000172530082 379590405 /nfs/dbraw/zinc/59/04/05/379590405.db2.gz JDVCMRNZGXOVIL-LLVKDONJSA-N 1 2 294.351 2.757 20 5 CFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000172530082 379590410 /nfs/dbraw/zinc/59/04/10/379590410.db2.gz JDVCMRNZGXOVIL-LLVKDONJSA-N 1 2 294.351 2.757 20 5 CFBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000353799301 380859684 /nfs/dbraw/zinc/85/96/84/380859684.db2.gz ATCUZXIHYRGYFZ-GQCTYLIASA-N 1 2 273.292 2.728 20 5 CFBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000353799301 380859689 /nfs/dbraw/zinc/85/96/89/380859689.db2.gz ATCUZXIHYRGYFZ-GQCTYLIASA-N 1 2 273.292 2.728 20 5 CFBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181807060 380901366 /nfs/dbraw/zinc/90/13/66/380901366.db2.gz NCFDJPRVJYHJEJ-JTQLQIEISA-N 1 2 290.323 2.699 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000182077081 380985338 /nfs/dbraw/zinc/98/53/38/380985338.db2.gz ASEADEHPWYUEIF-CYBMUJFWSA-N 1 2 261.281 2.824 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000368429029 381021493 /nfs/dbraw/zinc/02/14/93/381021493.db2.gz KOUWKPJDDSNGHF-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000368429029 381021495 /nfs/dbraw/zinc/02/14/95/381021495.db2.gz KOUWKPJDDSNGHF-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341593186 381110568 /nfs/dbraw/zinc/11/05/68/381110568.db2.gz ZADQYUJKRHZPHC-NXEZZACHSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000342291082 381251261 /nfs/dbraw/zinc/25/12/61/381251261.db2.gz FLTQWEWWCKHZPL-MRVPVSSYSA-N 1 2 278.337 2.606 20 5 CFBDLO Cc1nc(Nc2ccc3c(c2)[nH+]cn3C)ccc1[N+](=O)[O-] ZINC000348351600 381524462 /nfs/dbraw/zinc/52/44/62/381524462.db2.gz RLCIWDSTVJPZTN-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355784160 381804578 /nfs/dbraw/zinc/80/45/78/381804578.db2.gz IMJBDVQDLRQNMI-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355784160 381804583 /nfs/dbraw/zinc/80/45/83/381804583.db2.gz IMJBDVQDLRQNMI-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO CCc1[nH+]c(C(C)C)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC000292640025 381814328 /nfs/dbraw/zinc/81/43/28/381814328.db2.gz LNFLKXLNIVWXAX-UHFFFAOYSA-N 1 2 274.324 2.920 20 5 CFBDLO Cc1c(C[NH2+][C@@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349234509 381854725 /nfs/dbraw/zinc/85/47/25/381854725.db2.gz DXDHCGOPHPEWFX-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1noc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000356933491 381911212 /nfs/dbraw/zinc/91/12/12/381911212.db2.gz ZZLBDIJFHOUMCZ-BXKUYDPTSA-N 1 2 288.307 2.650 20 5 CFBDLO COC1(C)C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000362313069 382002626 /nfs/dbraw/zinc/00/26/26/382002626.db2.gz RLWUYGJUVGECKF-UHFFFAOYSA-N 1 2 278.352 2.939 20 5 CFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000293307606 382072729 /nfs/dbraw/zinc/07/27/29/382072729.db2.gz FHSBKACUHMGNLF-IUCAKERBSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000293307606 382072732 /nfs/dbraw/zinc/07/27/32/382072732.db2.gz FHSBKACUHMGNLF-IUCAKERBSA-N 1 2 297.742 2.527 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1NCCc1cn2ccccc2[nH+]1 ZINC000301172525 382098167 /nfs/dbraw/zinc/09/81/67/382098167.db2.gz FBKHUJZXDPJTGH-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccsc1 ZINC000352031939 382142862 /nfs/dbraw/zinc/14/28/62/382142862.db2.gz IGNFGWSYNFHESA-LBPRGKRZSA-N 1 2 296.323 2.619 20 5 CFBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000188170538 382360337 /nfs/dbraw/zinc/36/03/37/382360337.db2.gz HQSUPUCNNXJBIN-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294026689 382384725 /nfs/dbraw/zinc/38/47/25/382384725.db2.gz NVIGRRWQEKSSIA-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294026689 382384731 /nfs/dbraw/zinc/38/47/31/382384731.db2.gz NVIGRRWQEKSSIA-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO Cc1cc(CNc2nccc(C)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420650394 382445161 /nfs/dbraw/zinc/44/51/61/382445161.db2.gz HSFVKVVNLDMEPE-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378366079 382447435 /nfs/dbraw/zinc/44/74/35/382447435.db2.gz AERFITHMQDQKKB-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000378366079 382447439 /nfs/dbraw/zinc/44/74/39/382447439.db2.gz AERFITHMQDQKKB-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161004 382504453 /nfs/dbraw/zinc/50/44/53/382504453.db2.gz ASLJMOODGGYWHR-WRLNGNIRSA-N 1 2 290.363 2.965 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161004 382504458 /nfs/dbraw/zinc/50/44/58/382504458.db2.gz ASLJMOODGGYWHR-WRLNGNIRSA-N 1 2 290.363 2.965 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000295091879 382574296 /nfs/dbraw/zinc/57/42/96/382574296.db2.gz ZHBFDKRSAKLPOE-UHFFFAOYSA-N 1 2 278.287 2.871 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000338156207 382937365 /nfs/dbraw/zinc/93/73/65/382937365.db2.gz SHZVZJRYHFKPPH-UHFFFAOYSA-N 1 2 298.346 2.624 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000338893567 383077661 /nfs/dbraw/zinc/07/76/61/383077661.db2.gz AMWVAPPRGYXTAI-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000338893567 383077664 /nfs/dbraw/zinc/07/76/64/383077664.db2.gz AMWVAPPRGYXTAI-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO CC[C@@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339016519 383122069 /nfs/dbraw/zinc/12/20/69/383122069.db2.gz BRNBYVRAKSEZDD-AWEZNQCLSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339016519 383122071 /nfs/dbraw/zinc/12/20/71/383122071.db2.gz BRNBYVRAKSEZDD-AWEZNQCLSA-N 1 2 264.325 2.922 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C(CF)CF ZINC000449378680 383248743 /nfs/dbraw/zinc/24/87/43/383248743.db2.gz FJFCJJZABNEGSW-HYXAFXHYSA-N 1 2 256.252 2.505 20 5 CFBDLO Cc1cc(N[C@@H]2CC23CC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425273944 383356578 /nfs/dbraw/zinc/35/65/78/383356578.db2.gz PTTJYXLPHDIJPG-CYBMUJFWSA-N 1 2 296.330 2.747 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000450828669 383508223 /nfs/dbraw/zinc/50/82/23/383508223.db2.gz KVCRIZCJQJGSBG-VIFPVBQESA-N 1 2 292.343 2.509 20 5 CFBDLO CCn1nccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000429712373 383562599 /nfs/dbraw/zinc/56/25/99/383562599.db2.gz HBRYVSPEXAGRMK-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO CCn1nccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000429712373 383562602 /nfs/dbraw/zinc/56/26/02/383562602.db2.gz HBRYVSPEXAGRMK-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO CCn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000530623502 383777893 /nfs/dbraw/zinc/77/78/93/383777893.db2.gz VVMGGPGZRXNOGM-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO CCn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000530623502 383777902 /nfs/dbraw/zinc/77/79/02/383777902.db2.gz VVMGGPGZRXNOGM-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353369 383990472 /nfs/dbraw/zinc/99/04/72/383990472.db2.gz DLLASZCSLXQUHI-XQQFMLRXSA-N 1 2 278.352 2.901 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353369 383990482 /nfs/dbraw/zinc/99/04/82/383990482.db2.gz DLLASZCSLXQUHI-XQQFMLRXSA-N 1 2 278.352 2.901 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208565 384564520 /nfs/dbraw/zinc/56/45/20/384564520.db2.gz SWCAZDIWCZBXLJ-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208565 384564524 /nfs/dbraw/zinc/56/45/24/384564524.db2.gz SWCAZDIWCZBXLJ-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282604927 385352082 /nfs/dbraw/zinc/35/20/82/385352082.db2.gz YIKWLOHCHXFHJM-SNVBAGLBSA-N 1 2 298.314 2.507 20 5 CFBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282604927 385352085 /nfs/dbraw/zinc/35/20/85/385352085.db2.gz YIKWLOHCHXFHJM-SNVBAGLBSA-N 1 2 298.314 2.507 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000271862097 385394994 /nfs/dbraw/zinc/39/49/94/385394994.db2.gz ZRTDJXOPJAAXLW-MNOVXSKESA-N 1 2 272.308 2.797 20 5 CFBDLO CO[C@@H](C)CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413298669 533331163 /nfs/dbraw/zinc/33/11/63/533331163.db2.gz SQNRJXKLUFBDSD-JTQLQIEISA-N 1 2 275.308 2.614 20 5 CFBDLO CSCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413180643 533581285 /nfs/dbraw/zinc/58/12/85/533581285.db2.gz DMOFNFXJPQAYNL-UHFFFAOYSA-N 1 2 277.349 2.942 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000264014020 131379783 /nfs/dbraw/zinc/37/97/83/131379783.db2.gz KAPCYLCTUIEKDQ-CYBMUJFWSA-N 1 2 292.360 2.822 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000264014020 131379786 /nfs/dbraw/zinc/37/97/86/131379786.db2.gz KAPCYLCTUIEKDQ-CYBMUJFWSA-N 1 2 292.360 2.822 20 5 CFBDLO Cc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000301837365 393478697 /nfs/dbraw/zinc/47/86/97/393478697.db2.gz VZISROFJOXQDMM-UHFFFAOYSA-N 1 2 298.346 2.873 20 5 CFBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000037562565 393532371 /nfs/dbraw/zinc/53/23/71/393532371.db2.gz PGUGOBZDGCJXER-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cn2c1 ZINC000195056065 393729800 /nfs/dbraw/zinc/72/98/00/393729800.db2.gz DNQFVKYWVDQZNJ-UHFFFAOYSA-N 1 2 297.318 2.673 20 5 CFBDLO Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000119294264 393917227 /nfs/dbraw/zinc/91/72/27/393917227.db2.gz YOYLLSLWBXHYCV-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000125380642 394006980 /nfs/dbraw/zinc/00/69/80/394006980.db2.gz XRBQDAQJWHMPRY-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000125380642 394006982 /nfs/dbraw/zinc/00/69/82/394006982.db2.gz XRBQDAQJWHMPRY-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000285958634 394172203 /nfs/dbraw/zinc/17/22/03/394172203.db2.gz ADYLGCXHEGBGBC-JTQLQIEISA-N 1 2 278.287 2.679 20 5 CFBDLO Cc1c(Cl)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC000421339626 394191841 /nfs/dbraw/zinc/19/18/41/394191841.db2.gz GRUCHBLYOLICAD-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000152101100 394271274 /nfs/dbraw/zinc/27/12/74/394271274.db2.gz ALQGIBKPECJYKQ-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000152101100 394271276 /nfs/dbraw/zinc/27/12/76/394271276.db2.gz ALQGIBKPECJYKQ-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603658 394939308 /nfs/dbraw/zinc/93/93/08/394939308.db2.gz QKUJGCYTPIYENR-XHDPSFHLSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603658 394939311 /nfs/dbraw/zinc/93/93/11/394939311.db2.gz QKUJGCYTPIYENR-XHDPSFHLSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000548603657 394939666 /nfs/dbraw/zinc/93/96/66/394939666.db2.gz QKUJGCYTPIYENR-NHYWBVRUSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000548603657 394939672 /nfs/dbraw/zinc/93/96/72/394939672.db2.gz QKUJGCYTPIYENR-NHYWBVRUSA-N 1 2 276.336 2.767 20 5 CFBDLO CCc1nocc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000556808248 395016892 /nfs/dbraw/zinc/01/68/92/395016892.db2.gz DISNGCSMYAGHKP-UHFFFAOYSA-N 1 2 287.319 2.704 20 5 CFBDLO CCc1nocc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000556808248 395016896 /nfs/dbraw/zinc/01/68/96/395016896.db2.gz DISNGCSMYAGHKP-UHFFFAOYSA-N 1 2 287.319 2.704 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351971140 286220812 /nfs/dbraw/zinc/22/08/12/286220812.db2.gz POSAECNEGLTZPK-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351971140 286220813 /nfs/dbraw/zinc/22/08/13/286220813.db2.gz POSAECNEGLTZPK-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000332631128 292296431 /nfs/dbraw/zinc/29/64/31/292296431.db2.gz OYPOGWOEQPADJL-LBPRGKRZSA-N 1 2 286.335 2.677 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000345695469 154243271 /nfs/dbraw/zinc/24/32/71/154243271.db2.gz PUWKDJUMCFNSFY-CQSZACIVSA-N 1 2 299.330 2.956 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351959796 154419461 /nfs/dbraw/zinc/41/94/61/154419461.db2.gz QHORQJQDRSDQLX-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351959796 154419464 /nfs/dbraw/zinc/41/94/64/154419464.db2.gz QHORQJQDRSDQLX-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105303 157069691 /nfs/dbraw/zinc/06/96/91/157069691.db2.gz HXJUAFCOIGCIQS-LEWSCRJBSA-N 1 2 262.309 2.519 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105303 157069696 /nfs/dbraw/zinc/06/96/96/157069696.db2.gz HXJUAFCOIGCIQS-LEWSCRJBSA-N 1 2 262.309 2.519 20 5 CFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000346090701 162316040 /nfs/dbraw/zinc/31/60/40/162316040.db2.gz RMOWMDJNYGGKGK-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO C[C@@]1(F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347398556 162680516 /nfs/dbraw/zinc/68/05/16/162680516.db2.gz XTJORQDJWVHJBA-GFCCVEGCSA-N 1 2 256.252 2.668 20 5 CFBDLO C[C@@]1(F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347398556 162680519 /nfs/dbraw/zinc/68/05/19/162680519.db2.gz XTJORQDJWVHJBA-GFCCVEGCSA-N 1 2 256.252 2.668 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cn2)c(F)c1 ZINC000350344222 163074926 /nfs/dbraw/zinc/07/49/26/163074926.db2.gz YPXPUOTYSRFCTM-UHFFFAOYSA-N 1 2 279.246 2.558 20 5 CFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351852430 163204162 /nfs/dbraw/zinc/20/41/62/163204162.db2.gz AQSBMRSCPZPKSF-UHFFFAOYSA-N 1 2 256.252 2.857 20 5 CFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351852430 163204163 /nfs/dbraw/zinc/20/41/63/163204163.db2.gz AQSBMRSCPZPKSF-UHFFFAOYSA-N 1 2 256.252 2.857 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349232406 287063392 /nfs/dbraw/zinc/06/33/92/287063392.db2.gz BWQZWHGIGMCLAR-NXEZZACHSA-N 1 2 261.281 2.995 20 5 CFBDLO Cc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000044317986 175163319 /nfs/dbraw/zinc/16/33/19/175163319.db2.gz ULYOZXZSTAVKOC-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000375591354 277213156 /nfs/dbraw/zinc/21/31/56/277213156.db2.gz MUTDVELTTMKCOG-LLVKDONJSA-N 1 2 290.348 2.650 20 5 CFBDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000375591354 277213158 /nfs/dbraw/zinc/21/31/58/277213158.db2.gz MUTDVELTTMKCOG-LLVKDONJSA-N 1 2 290.348 2.650 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000293546574 277377619 /nfs/dbraw/zinc/37/76/19/277377619.db2.gz YPYGIYWBRVJEPG-RKDXNWHRSA-N 1 2 268.288 2.583 20 5 CFBDLO COc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000293546574 277377620 /nfs/dbraw/zinc/37/76/20/277377620.db2.gz YPYGIYWBRVJEPG-RKDXNWHRSA-N 1 2 268.288 2.583 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000182697163 281019531 /nfs/dbraw/zinc/01/95/31/281019531.db2.gz FCPCOZOHKMCJIR-CYBMUJFWSA-N 1 2 289.379 2.744 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000398435824 281206508 /nfs/dbraw/zinc/20/65/08/281206508.db2.gz XEFRRGOMYBPHFO-RKDXNWHRSA-N 1 2 278.337 2.858 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000398407741 281206516 /nfs/dbraw/zinc/20/65/16/281206516.db2.gz KPAUGRBRYLWWKS-IUCAKERBSA-N 1 2 278.337 2.858 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208573 281221021 /nfs/dbraw/zinc/22/10/21/281221021.db2.gz SWCAZDIWCZBXLJ-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208573 281221019 /nfs/dbraw/zinc/22/10/19/281221019.db2.gz SWCAZDIWCZBXLJ-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2c[nH]c[nH+]2)c1 ZINC000581163237 325095773 /nfs/dbraw/zinc/09/57/73/325095773.db2.gz KLVNUQRGEVQXCR-UHFFFAOYSA-N 1 2 284.222 2.531 20 5 CFBDLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000583206313 325268971 /nfs/dbraw/zinc/26/89/71/325268971.db2.gz IESLKWURGZVZOE-LLVKDONJSA-N 1 2 288.307 2.690 20 5 CFBDLO CC[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000221224859 522778742 /nfs/dbraw/zinc/77/87/42/522778742.db2.gz BIQGYEBRIQCSPK-VIFPVBQESA-N 1 2 281.703 2.930 20 5 CFBDLO Cc1c(C[NH2+]Cc2cscn2)cccc1[N+](=O)[O-] ZINC000231884132 525725193 /nfs/dbraw/zinc/72/51/93/525725193.db2.gz QTUYTQRRUCSFKA-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCCOC3)c2c1 ZINC000413061685 534885307 /nfs/dbraw/zinc/88/53/07/534885307.db2.gz CLZUPCHOKQUTSK-LLVKDONJSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@]12CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000339208413 525911951 /nfs/dbraw/zinc/91/19/51/525911951.db2.gz XPKIKZCXYMVTCC-QWHCGFSZSA-N 1 2 298.289 2.778 20 5 CFBDLO C[C@@]12CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000339208413 525911962 /nfs/dbraw/zinc/91/19/62/525911962.db2.gz XPKIKZCXYMVTCC-QWHCGFSZSA-N 1 2 298.289 2.778 20 5 CFBDLO Cc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC000336843536 526098574 /nfs/dbraw/zinc/09/85/74/526098574.db2.gz XCWHTAYOSLIIJI-UHFFFAOYSA-N 1 2 294.311 2.537 20 5 CFBDLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347182 526552653 /nfs/dbraw/zinc/55/26/53/526552653.db2.gz AXKOCUANAVHUME-UHFFFAOYSA-N 1 2 274.324 2.651 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000193848204 527348808 /nfs/dbraw/zinc/34/88/08/527348808.db2.gz PMYJMYQVUKHTGZ-ZDUSSCGKSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000193848204 527348811 /nfs/dbraw/zinc/34/88/11/527348811.db2.gz PMYJMYQVUKHTGZ-ZDUSSCGKSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000157980827 527390009 /nfs/dbraw/zinc/39/00/09/527390009.db2.gz ITUVSFGQMMZPRR-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC2(CCCC2)C1 ZINC000157980827 527390016 /nfs/dbraw/zinc/39/00/16/527390016.db2.gz ITUVSFGQMMZPRR-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746026554 574131586 /nfs/dbraw/zinc/13/15/86/574131586.db2.gz MSRGELZNMNHXJB-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC(C)[N@H+](Cc1ccc(F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746026554 574131587 /nfs/dbraw/zinc/13/15/87/574131587.db2.gz MSRGELZNMNHXJB-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000756900365 574271346 /nfs/dbraw/zinc/27/13/46/574271346.db2.gz QGGNWDZOXITTJA-UHFFFAOYSA-N 1 2 296.710 2.623 20 5 CFBDLO Cc1[nH]c([C@H]2CCCN2c2ccc([N+](=O)[O-])nc2)[nH+]c1C ZINC000895196832 618461500 /nfs/dbraw/zinc/46/15/00/618461500.db2.gz NFDOOYXULMHSIN-GFCCVEGCSA-N 1 2 287.323 2.671 20 5 CFBDLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000892622973 618658479 /nfs/dbraw/zinc/65/84/79/618658479.db2.gz SJJJOHWUAUUMOH-NSHDSACASA-N 1 2 286.335 2.977 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1F)C2 ZINC000896652616 619783425 /nfs/dbraw/zinc/78/34/25/619783425.db2.gz CTEAGIBAEBDLRN-UHFFFAOYSA-N 1 2 290.298 2.513 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc[nH+]c(C)n1 ZINC000902125775 620984134 /nfs/dbraw/zinc/98/41/34/620984134.db2.gz ALCXMGHABMMIOB-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000061319962 623202183 /nfs/dbraw/zinc/20/21/83/623202183.db2.gz XRPRQEGUCPGVDU-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc(C)n1 ZINC000851869507 634564822 /nfs/dbraw/zinc/56/48/22/634564822.db2.gz JSQOIOXCMIXYFF-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc(C)n1 ZINC000851869507 634564824 /nfs/dbraw/zinc/56/48/24/634564824.db2.gz JSQOIOXCMIXYFF-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC(O)(C(C)C)C1 ZINC000773894472 627868542 /nfs/dbraw/zinc/86/85/42/627868542.db2.gz RODRWCKNQQLFDC-LBPRGKRZSA-N 1 2 278.352 2.667 20 5 CFBDLO Cc1cc(OCc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000782109531 628604839 /nfs/dbraw/zinc/60/48/39/628604839.db2.gz CJHPFMJFYZVLID-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000782113216 628605566 /nfs/dbraw/zinc/60/55/66/628605566.db2.gz YCMFSZMACITUMD-UHFFFAOYSA-N 1 2 291.282 2.774 20 5 CFBDLO Cc1ccccc1C(N)=[NH+]OCCc1ccc([N+](=O)[O-])cc1 ZINC000808243932 630970626 /nfs/dbraw/zinc/97/06/26/630970626.db2.gz KEMIKEGTHSIXOW-UHFFFAOYSA-N 1 2 299.330 2.992 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000811510040 631574874 /nfs/dbraw/zinc/57/48/74/631574874.db2.gz RLSPVRJNUMDXSE-UHFFFAOYSA-N 1 2 298.342 2.607 20 5 CFBDLO CC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000111690694 635147057 /nfs/dbraw/zinc/14/70/57/635147057.db2.gz HXAOZZSLHWFVDF-UHFFFAOYSA-N 1 2 280.299 2.535 20 5 CFBDLO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000872128858 641656965 /nfs/dbraw/zinc/65/69/65/641656965.db2.gz ZUOKCTIBBKRLDL-JQWIXIFHSA-N 1 2 272.308 2.587 20 5 CFBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000873189547 642057444 /nfs/dbraw/zinc/05/74/44/642057444.db2.gz PWHDLHZLBNVVJV-VIFPVBQESA-N 1 2 278.337 2.606 20 5 CFBDLO COc1cc(C[NH+]2CCC(F)CC2)c([N+](=O)[O-])cc1F ZINC000880239705 644603508 /nfs/dbraw/zinc/60/35/08/644603508.db2.gz DSXNKALBTZIGQT-UHFFFAOYSA-N 1 2 286.278 2.676 20 5 CFBDLO Cc1c(C[NH2+]C2(c3ncccn3)CCC2)cccc1[N+](=O)[O-] ZINC000880364369 644668647 /nfs/dbraw/zinc/66/86/47/644668647.db2.gz ALZXQSGMVDGKPY-UHFFFAOYSA-N 1 2 298.346 2.862 20 5 CFBDLO CC(C)[N@H+](Cc1ccco1)Cc1cccnc1[N+](=O)[O-] ZINC000885967589 646788932 /nfs/dbraw/zinc/78/89/32/646788932.db2.gz STZBCUASHKVPLC-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cccnc1[N+](=O)[O-] ZINC000885967589 646788936 /nfs/dbraw/zinc/78/89/36/646788936.db2.gz STZBCUASHKVPLC-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000930013886 649166448 /nfs/dbraw/zinc/16/64/48/649166448.db2.gz KCYIZYYWZBRQND-UHFFFAOYSA-N 1 2 272.304 2.581 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000930013886 649166450 /nfs/dbraw/zinc/16/64/50/649166450.db2.gz KCYIZYYWZBRQND-UHFFFAOYSA-N 1 2 272.304 2.581 20 5 CFBDLO O=[N+]([O-])CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000930051709 649173297 /nfs/dbraw/zinc/17/32/97/649173297.db2.gz GVPSCAGGIIACES-UHFFFAOYSA-N 1 2 264.300 2.582 20 5 CFBDLO CC(C)(C)[NH+]1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225621045 775528673 /nfs/dbraw/zinc/52/86/73/775528673.db2.gz ZYAWNHZLSDXSAC-UHFFFAOYSA-N 1 2 294.351 2.942 20 5 CFBDLO CC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000692785220 776163595 /nfs/dbraw/zinc/16/35/95/776163595.db2.gz AOCRCLOLNXCQCD-UHFFFAOYSA-N 1 2 280.299 2.535 20 5 CFBDLO Cc1cc(F)cc([N+](=O)[O-])c1OC1C[NH+](C(C)C)C1 ZINC001229199523 776750024 /nfs/dbraw/zinc/75/00/24/776750024.db2.gz WJPYSXOJKBXKLZ-UHFFFAOYSA-N 1 2 268.288 2.514 20 5 CFBDLO Cc1noc(C[N@H+]2Cc3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000595325446 349602557 /nfs/dbraw/zinc/60/25/57/349602557.db2.gz IKVSQGNPYZNCEM-SNVBAGLBSA-N 1 2 287.319 2.838 20 5 CFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1[N+](=O)[O-] ZINC000595325446 349602559 /nfs/dbraw/zinc/60/25/59/349602559.db2.gz IKVSQGNPYZNCEM-SNVBAGLBSA-N 1 2 287.319 2.838 20 5 CFBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595288167 349590753 /nfs/dbraw/zinc/59/07/53/349590753.db2.gz KXPZTNIOWWYHIZ-UHFFFAOYSA-N 1 2 275.308 2.913 20 5 CFBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595288167 349590760 /nfs/dbraw/zinc/59/07/60/349590760.db2.gz KXPZTNIOWWYHIZ-UHFFFAOYSA-N 1 2 275.308 2.913 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595343017 349606462 /nfs/dbraw/zinc/60/64/62/349606462.db2.gz UWEVDEMGSUATBF-GFCCVEGCSA-N 1 2 273.292 2.838 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595343017 349606465 /nfs/dbraw/zinc/60/64/65/349606465.db2.gz UWEVDEMGSUATBF-GFCCVEGCSA-N 1 2 273.292 2.838 20 5 CFBDLO CC[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413102465 529378908 /nfs/dbraw/zinc/37/89/08/529378908.db2.gz FBCYLJHYBYDRDL-AWEZNQCLSA-N 1 2 275.308 2.716 20 5 CFBDLO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1c(C)noc1C ZINC000595431219 349624190 /nfs/dbraw/zinc/62/41/90/349624190.db2.gz MXVQEIVTXSQZMC-SNVBAGLBSA-N 1 2 294.311 2.737 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000595444935 349628515 /nfs/dbraw/zinc/62/85/15/349628515.db2.gz IDFGLYSXIXDLOS-GFCCVEGCSA-N 1 2 294.282 2.540 20 5 CFBDLO Cc1noc(C[NH2+]C(C)(C)c2c(C)noc2C)c1[N+](=O)[O-] ZINC000595484662 349640256 /nfs/dbraw/zinc/64/02/56/349640256.db2.gz QYFNMEQJYLSGAH-UHFFFAOYSA-N 1 2 294.311 2.521 20 5 CFBDLO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000595512354 349647781 /nfs/dbraw/zinc/64/77/81/349647781.db2.gz TYXAVQVSBALZHI-UHFFFAOYSA-N 1 2 291.307 2.616 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595683126 349699327 /nfs/dbraw/zinc/69/93/27/349699327.db2.gz UFAQENHGDFHSMP-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595683126 349699331 /nfs/dbraw/zinc/69/93/31/349699331.db2.gz UFAQENHGDFHSMP-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000595698158 349707788 /nfs/dbraw/zinc/70/77/88/349707788.db2.gz DIQRIHBPYPNDSJ-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1nnc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000595698158 349707789 /nfs/dbraw/zinc/70/77/89/349707789.db2.gz DIQRIHBPYPNDSJ-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907623 349766308 /nfs/dbraw/zinc/76/63/08/349766308.db2.gz CFWLHHPLUMFAPZ-NSHDSACASA-N 1 2 264.325 2.778 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907623 349766311 /nfs/dbraw/zinc/76/63/11/349766311.db2.gz CFWLHHPLUMFAPZ-NSHDSACASA-N 1 2 264.325 2.778 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc(C)s1 ZINC000295004489 199295256 /nfs/dbraw/zinc/29/52/56/199295256.db2.gz IJDASOXQLKRTDA-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO CN(C[C@@H]1CCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413109148 529950826 /nfs/dbraw/zinc/95/08/26/529950826.db2.gz FSDFJWIKCLPRSB-ZDUSSCGKSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@]12COC[C@@H]1CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596481502 349915177 /nfs/dbraw/zinc/91/51/77/349915177.db2.gz YGDQXZXGWLMCPP-LRDDRELGSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3C[C@@H](O)C34CCC4)c2c1 ZINC000596502733 349922738 /nfs/dbraw/zinc/92/27/38/349922738.db2.gz FXNNYCYWUDOWOT-UONOGXRCSA-N 1 2 299.330 2.858 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccco1 ZINC000047264869 346447266 /nfs/dbraw/zinc/44/72/66/346447266.db2.gz IISSPLLZTVYFLB-UHFFFAOYSA-N 1 2 252.295 2.881 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccco1 ZINC000047264869 346447268 /nfs/dbraw/zinc/44/72/68/346447268.db2.gz IISSPLLZTVYFLB-UHFFFAOYSA-N 1 2 252.295 2.881 20 5 CFBDLO Cc1c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051474722 346503896 /nfs/dbraw/zinc/50/38/96/346503896.db2.gz CPHOTZXVKRHHPK-WDEREUQCSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051474722 346503900 /nfs/dbraw/zinc/50/39/00/346503900.db2.gz CPHOTZXVKRHHPK-WDEREUQCSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)s1 ZINC000054389639 346568536 /nfs/dbraw/zinc/56/85/36/346568536.db2.gz VOEIMBQTGJIYRI-UHFFFAOYSA-N 1 2 293.348 2.572 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000092583591 347632869 /nfs/dbraw/zinc/63/28/69/347632869.db2.gz LQUFBYDHICXQQX-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092586117 347633803 /nfs/dbraw/zinc/63/38/03/347633803.db2.gz CUDXDUFSIBAROS-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092586117 347633805 /nfs/dbraw/zinc/63/38/05/347633805.db2.gz CUDXDUFSIBAROS-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093499498 347677291 /nfs/dbraw/zinc/67/72/91/347677291.db2.gz VOBPWDIHBRBTTM-ZJUUUORDSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093499498 347677292 /nfs/dbraw/zinc/67/72/92/347677292.db2.gz VOBPWDIHBRBTTM-ZJUUUORDSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@H]1SCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000093499510 347677713 /nfs/dbraw/zinc/67/77/13/347677713.db2.gz VOBPWDIHBRBTTM-VHSXEESVSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@H]1SCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000093499510 347677718 /nfs/dbraw/zinc/67/77/18/347677718.db2.gz VOBPWDIHBRBTTM-VHSXEESVSA-N 1 2 282.365 2.626 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000093441795 347674198 /nfs/dbraw/zinc/67/41/98/347674198.db2.gz DGVVRJDKVWBOBW-RYUDHWBXSA-N 1 2 276.336 2.922 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000125812158 347829923 /nfs/dbraw/zinc/82/99/23/347829923.db2.gz KCBWIQQWUHGUBL-SNVBAGLBSA-N 1 2 260.297 2.810 20 5 CFBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000291041817 348353731 /nfs/dbraw/zinc/35/37/31/348353731.db2.gz CPZSPVFWDFBEQI-UHFFFAOYSA-N 1 2 298.249 2.542 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3CF)nc2c1 ZINC000293215955 348361793 /nfs/dbraw/zinc/36/17/93/348361793.db2.gz XSEQSIRAWAHGIB-JTQLQIEISA-N 1 2 279.271 2.670 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3CF)nc2c1 ZINC000293215955 348361799 /nfs/dbraw/zinc/36/17/99/348361799.db2.gz XSEQSIRAWAHGIB-JTQLQIEISA-N 1 2 279.271 2.670 20 5 CFBDLO CO[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413302787 233049894 /nfs/dbraw/zinc/04/98/94/233049894.db2.gz USHRNWBPDVOVSN-CQSZACIVSA-N 1 2 287.319 2.980 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(CC(F)C2)C1 ZINC000590969306 348974275 /nfs/dbraw/zinc/97/42/75/348974275.db2.gz PYMMXYAFPHOSAB-UHFFFAOYSA-N 1 2 294.326 2.927 20 5 CFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058520 349197192 /nfs/dbraw/zinc/19/71/92/349197192.db2.gz NJLWUDQPTMGTRE-OCCSQVGLSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058520 349197196 /nfs/dbraw/zinc/19/71/96/349197196.db2.gz NJLWUDQPTMGTRE-OCCSQVGLSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066374 349200519 /nfs/dbraw/zinc/20/05/19/349200519.db2.gz BXNUKLJFPSDDJP-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066374 349200521 /nfs/dbraw/zinc/20/05/21/349200521.db2.gz BXNUKLJFPSDDJP-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO COCC1(C2CCC2)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000597191980 350049358 /nfs/dbraw/zinc/04/93/58/350049358.db2.gz NOHNESHRRXYNKU-UHFFFAOYSA-N 1 2 296.392 2.905 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1csnn1 ZINC000414533163 233285062 /nfs/dbraw/zinc/28/50/62/233285062.db2.gz BDVQSBPOYHRQGB-SECBINFHSA-N 1 2 278.337 2.606 20 5 CFBDLO CC[C@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056086 350367564 /nfs/dbraw/zinc/36/75/64/350367564.db2.gz JJIZPOGLNIWSEO-NSHDSACASA-N 1 2 275.308 2.716 20 5 CFBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599020749 350359721 /nfs/dbraw/zinc/35/97/21/350359721.db2.gz BSYVNSUPIJOKPL-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599038885 350362778 /nfs/dbraw/zinc/36/27/78/350362778.db2.gz VVASKHYOAMKRCO-LLVKDONJSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](C2CC2)C1 ZINC000599069197 350369608 /nfs/dbraw/zinc/36/96/08/350369608.db2.gz CZEJOYJZRYRJDR-HNNXBMFYSA-N 1 2 299.330 2.758 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC([C@H]2CCOC2)C1 ZINC000599075896 350371661 /nfs/dbraw/zinc/37/16/61/350371661.db2.gz BCFHYSFJQLUNQL-LBPRGKRZSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC2(CC2(F)F)C1 ZINC000599100774 350375941 /nfs/dbraw/zinc/37/59/41/350375941.db2.gz NKUGEYHDRGEXMZ-UHFFFAOYSA-N 1 2 291.257 2.988 20 5 CFBDLO C[C@]12COC[C@H]1CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599107617 350376224 /nfs/dbraw/zinc/37/62/24/350376224.db2.gz OWUZVEOZXWSFKG-WBMJQRKESA-N 1 2 299.330 2.616 20 5 CFBDLO CO[C@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599205566 350395971 /nfs/dbraw/zinc/39/59/71/350395971.db2.gz JFIOULBVPDYEMN-KLPPZKSPSA-N 1 2 287.319 2.980 20 5 CFBDLO Cc1c[nH]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH+]1 ZINC000600111472 350511710 /nfs/dbraw/zinc/51/17/10/350511710.db2.gz IKSYXYUGYVHUID-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1sc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107289540 186166349 /nfs/dbraw/zinc/16/63/49/186166349.db2.gz IOJNQPMQFJBTLQ-UHFFFAOYSA-N 1 2 277.305 2.920 20 5 CFBDLO Cc1[nH]c(CN(C)CCc2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC000600157262 350523598 /nfs/dbraw/zinc/52/35/98/350523598.db2.gz UPDBDINWJWGWFS-UHFFFAOYSA-N 1 2 288.351 2.609 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601170587 350687133 /nfs/dbraw/zinc/68/71/33/350687133.db2.gz BIBHDCWTALWJLL-MRVPVSSYSA-N 1 2 279.275 2.518 20 5 CFBDLO C[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171391 350687833 /nfs/dbraw/zinc/68/78/33/350687833.db2.gz KYTNFWAYVBGLTH-CBAPKCEASA-N 1 2 264.310 2.971 20 5 CFBDLO CCc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602432244 350880424 /nfs/dbraw/zinc/88/04/24/350880424.db2.gz FYKWBIJFCXIGLW-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO CCc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602432244 350880426 /nfs/dbraw/zinc/88/04/26/350880426.db2.gz FYKWBIJFCXIGLW-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000602713335 350994725 /nfs/dbraw/zinc/99/47/25/350994725.db2.gz LBXUZTVXTURNQD-UHFFFAOYSA-N 1 2 297.698 2.535 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000603680106 351178409 /nfs/dbraw/zinc/17/84/09/351178409.db2.gz CFMUUANEZRQLNX-UHFFFAOYSA-N 1 2 299.334 2.766 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000603845695 351185690 /nfs/dbraw/zinc/18/56/90/351185690.db2.gz HXTGUEYZIUAOGN-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611502423 351699487 /nfs/dbraw/zinc/69/94/87/351699487.db2.gz SDMJIRCLNJTFBT-JQWIXIFHSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611502423 351699489 /nfs/dbraw/zinc/69/94/89/351699489.db2.gz SDMJIRCLNJTFBT-JQWIXIFHSA-N 1 2 282.315 2.783 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000614408605 352090877 /nfs/dbraw/zinc/09/08/77/352090877.db2.gz PZRFSLIRLOZELY-IAQYHMDHSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000614408605 352090879 /nfs/dbraw/zinc/09/08/79/352090879.db2.gz PZRFSLIRLOZELY-IAQYHMDHSA-N 1 2 276.336 2.767 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271540086 191200166 /nfs/dbraw/zinc/20/01/66/191200166.db2.gz QQYXURKTYPNSEM-NXEZZACHSA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ncn1 ZINC000292332275 198247568 /nfs/dbraw/zinc/24/75/68/198247568.db2.gz CEHIZKSFHZRORB-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ncn1 ZINC000292332275 198247570 /nfs/dbraw/zinc/24/75/70/198247570.db2.gz CEHIZKSFHZRORB-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCOCC3)o2)cc1 ZINC000154524680 188147450 /nfs/dbraw/zinc/14/74/50/188147450.db2.gz CKPVZCUPRQTRFO-UHFFFAOYSA-N 1 2 288.303 2.687 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)Cn1cc[nH+]c1 ZINC000158662871 188388539 /nfs/dbraw/zinc/38/85/39/188388539.db2.gz YJXMSQDJAJJHAV-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000293102700 198526792 /nfs/dbraw/zinc/52/67/92/198526792.db2.gz QJWRPWFUQJOYEG-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@H]2CF)cc1[N+](=O)[O-] ZINC000293102700 198526794 /nfs/dbraw/zinc/52/67/94/198526794.db2.gz QJWRPWFUQJOYEG-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000285172978 291241796 /nfs/dbraw/zinc/24/17/96/291241796.db2.gz MKEKEIQYGOTCNQ-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000285172978 291241797 /nfs/dbraw/zinc/24/17/97/291241797.db2.gz MKEKEIQYGOTCNQ-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO CN(Cc1c[nH+]c[nH]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788190 189219987 /nfs/dbraw/zinc/21/99/87/189219987.db2.gz NBXNTEJJBZEYEK-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CN(Cc1c[nH]c[nH+]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788190 189219988 /nfs/dbraw/zinc/21/99/88/189219988.db2.gz NBXNTEJJBZEYEK-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301636715 201108928 /nfs/dbraw/zinc/10/89/28/201108928.db2.gz LQQINTVIYPRROT-CQSZACIVSA-N 1 2 299.330 2.956 20 5 CFBDLO O=[N+]([O-])c1ccccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301784492 201195644 /nfs/dbraw/zinc/19/56/44/201195644.db2.gz VDNPYHKFGYYTAN-LBPRGKRZSA-N 1 2 284.319 2.681 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184688132 189392733 /nfs/dbraw/zinc/39/27/33/189392733.db2.gz WRIOTKYJINGLNR-CYBMUJFWSA-N 1 2 290.319 2.974 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000378567080 291311013 /nfs/dbraw/zinc/31/10/13/291311013.db2.gz HUVOLRKSAQZYSX-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000378567080 291311016 /nfs/dbraw/zinc/31/10/16/291311016.db2.gz HUVOLRKSAQZYSX-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015415651 291324590 /nfs/dbraw/zinc/32/45/90/291324590.db2.gz WZGUPMPNGQHSQJ-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015415651 291324591 /nfs/dbraw/zinc/32/45/91/291324591.db2.gz WZGUPMPNGQHSQJ-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000452041112 243021169 /nfs/dbraw/zinc/02/11/69/243021169.db2.gz LIMDXTLDPVTCJS-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000452041112 243021172 /nfs/dbraw/zinc/02/11/72/243021172.db2.gz LIMDXTLDPVTCJS-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(Cl)c1 ZINC000025673542 372306468 /nfs/dbraw/zinc/30/64/68/372306468.db2.gz OBTXNALLXDALEC-UHFFFAOYSA-N 1 2 266.688 2.557 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364693119 284318828 /nfs/dbraw/zinc/31/88/28/284318828.db2.gz BWXJNVKIBBRIIL-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000364693119 284318831 /nfs/dbraw/zinc/31/88/31/284318831.db2.gz BWXJNVKIBBRIIL-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO CC[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000037017020 372633772 /nfs/dbraw/zinc/63/37/72/372633772.db2.gz JYWLFRGRELZGIS-GXFFZTMASA-N 1 2 289.339 2.525 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000051736945 373408818 /nfs/dbraw/zinc/40/88/18/373408818.db2.gz ICWSHEONKGMECR-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000051736945 373408829 /nfs/dbraw/zinc/40/88/29/373408829.db2.gz ICWSHEONKGMECR-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000051924228 373420386 /nfs/dbraw/zinc/42/03/86/373420386.db2.gz LRKMJWIKVWMZJN-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000080240369 374646111 /nfs/dbraw/zinc/64/61/11/374646111.db2.gz UJMQJMONXRDXMH-CYBMUJFWSA-N 1 2 290.319 2.974 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nccs1 ZINC000080305708 374651074 /nfs/dbraw/zinc/65/10/74/374651074.db2.gz LSHCRZGRTAANAB-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091980649 375076157 /nfs/dbraw/zinc/07/61/57/375076157.db2.gz FEKCQIISOXYTNL-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@H]1COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091980649 375076162 /nfs/dbraw/zinc/07/61/62/375076162.db2.gz FEKCQIISOXYTNL-ZDUSSCGKSA-N 1 2 264.325 2.514 20 5 CFBDLO CCc1noc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000114748846 376086809 /nfs/dbraw/zinc/08/68/09/376086809.db2.gz IUPSSZJNUHWCGV-ZJUUUORDSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000125050790 377113352 /nfs/dbraw/zinc/11/33/52/377113352.db2.gz PVPYTIRRPFPQAZ-UHFFFAOYSA-N 1 2 260.297 2.557 20 5 CFBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000133973890 377972295 /nfs/dbraw/zinc/97/22/95/377972295.db2.gz ORTRDGPVCIHTPI-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000133973890 377972299 /nfs/dbraw/zinc/97/22/99/377972299.db2.gz ORTRDGPVCIHTPI-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO CC1(C)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330443146 378556278 /nfs/dbraw/zinc/55/62/78/378556278.db2.gz VZFYTIMRKNETFZ-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO CC1(C)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330443146 378556286 /nfs/dbraw/zinc/55/62/86/378556286.db2.gz VZFYTIMRKNETFZ-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000330452986 378559798 /nfs/dbraw/zinc/55/97/98/378559798.db2.gz LEZNYYTZHDZJGR-UWVGGRQHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000330452986 378559802 /nfs/dbraw/zinc/55/98/02/378559802.db2.gz LEZNYYTZHDZJGR-UWVGGRQHSA-N 1 2 250.298 2.531 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330536495 378580616 /nfs/dbraw/zinc/58/06/16/378580616.db2.gz VRXDBUXWIXHPFH-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330536495 378580620 /nfs/dbraw/zinc/58/06/20/378580620.db2.gz VRXDBUXWIXHPFH-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278531380 194030375 /nfs/dbraw/zinc/03/03/75/194030375.db2.gz FDFHHNANRPOYIS-HNNXBMFYSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278531380 194030376 /nfs/dbraw/zinc/03/03/76/194030376.db2.gz FDFHHNANRPOYIS-HNNXBMFYSA-N 1 2 286.335 2.963 20 5 CFBDLO CC1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000338950018 220258684 /nfs/dbraw/zinc/25/86/84/220258684.db2.gz DOMRBSFELJSCLL-UHFFFAOYSA-N 1 2 272.251 2.648 20 5 CFBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000353799302 380860175 /nfs/dbraw/zinc/86/01/75/380860175.db2.gz ATCUZXIHYRGYFZ-XQRVVYSFSA-N 1 2 273.292 2.728 20 5 CFBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000353799302 380860187 /nfs/dbraw/zinc/86/01/87/380860187.db2.gz ATCUZXIHYRGYFZ-XQRVVYSFSA-N 1 2 273.292 2.728 20 5 CFBDLO COc1cc[nH+]cc1COc1cc([N+](=O)[O-])ccc1OC ZINC000341336334 380944396 /nfs/dbraw/zinc/94/43/96/380944396.db2.gz HGDRKSGXQYAOSW-UHFFFAOYSA-N 1 2 290.275 2.586 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279302073 194375739 /nfs/dbraw/zinc/37/57/39/194375739.db2.gz MHSXTMPNBIUBGP-ABAIWWIYSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279302073 194375742 /nfs/dbraw/zinc/37/57/42/194375742.db2.gz MHSXTMPNBIUBGP-ABAIWWIYSA-N 1 2 276.336 2.594 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341593189 381110656 /nfs/dbraw/zinc/11/06/56/381110656.db2.gz ZADQYUJKRHZPHC-UWVGGRQHSA-N 1 2 290.323 2.952 20 5 CFBDLO C[C@@H]1COCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000371099288 381547971 /nfs/dbraw/zinc/54/79/71/381547971.db2.gz KHGQJZRWCOZLGI-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]1COCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000371099288 381547979 /nfs/dbraw/zinc/54/79/79/381547979.db2.gz KHGQJZRWCOZLGI-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000360011709 381725831 /nfs/dbraw/zinc/72/58/31/381725831.db2.gz XLUJYNJDKTUMIK-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000360011709 381725837 /nfs/dbraw/zinc/72/58/37/381725837.db2.gz XLUJYNJDKTUMIK-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1ccc(COc2cccnc2[N+](=O)[O-])c(C)[nH+]1 ZINC000186397264 381899966 /nfs/dbraw/zinc/89/99/66/381899966.db2.gz NQNWGURZPLWGAG-UHFFFAOYSA-N 1 2 259.265 2.581 20 5 CFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccn1 ZINC000356977295 381939923 /nfs/dbraw/zinc/93/99/23/381939923.db2.gz MGJSQAFINHONED-JTQLQIEISA-N 1 2 297.318 2.717 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375005105 382063864 /nfs/dbraw/zinc/06/38/64/382063864.db2.gz PTMMEJMBQHTYPI-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000293384586 382103073 /nfs/dbraw/zinc/10/30/73/382103073.db2.gz KCOSIGXRYDOQQI-SFYZADRCSA-N 1 2 256.252 2.713 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000293384586 382103080 /nfs/dbraw/zinc/10/30/80/382103080.db2.gz KCOSIGXRYDOQQI-SFYZADRCSA-N 1 2 256.252 2.713 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323420 382079186 /nfs/dbraw/zinc/07/91/86/382079186.db2.gz GBWRCNXWTSJVQO-XQQFMLRXSA-N 1 2 277.368 2.680 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323420 382079193 /nfs/dbraw/zinc/07/91/93/382079193.db2.gz GBWRCNXWTSJVQO-XQQFMLRXSA-N 1 2 277.368 2.680 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000418120709 382127469 /nfs/dbraw/zinc/12/74/69/382127469.db2.gz CNXKTTBHEFBQNG-VWYCJHECSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000418120709 382127476 /nfs/dbraw/zinc/12/74/76/382127476.db2.gz CNXKTTBHEFBQNG-VWYCJHECSA-N 1 2 264.325 2.777 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000352405624 382312767 /nfs/dbraw/zinc/31/27/67/382312767.db2.gz NNVXVIDDJPVLQG-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](C)O1 ZINC000352405624 382312770 /nfs/dbraw/zinc/31/27/70/382312770.db2.gz NNVXVIDDJPVLQG-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000337219967 382778935 /nfs/dbraw/zinc/77/89/35/382778935.db2.gz BTIXAXGCNAYTAQ-LLVKDONJSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000337219967 382778938 /nfs/dbraw/zinc/77/89/38/382778938.db2.gz BTIXAXGCNAYTAQ-LLVKDONJSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000534339585 382928327 /nfs/dbraw/zinc/92/83/27/382928327.db2.gz VDEHBZFMUCQCTK-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000534339585 382928330 /nfs/dbraw/zinc/92/83/30/382928330.db2.gz VDEHBZFMUCQCTK-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO CC[C@H](CSC)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062389 383135489 /nfs/dbraw/zinc/13/54/89/383135489.db2.gz DRRKQBDLNKBWSV-LLVKDONJSA-N 1 2 284.381 2.874 20 5 CFBDLO CC[C@H](CSC)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062389 383135495 /nfs/dbraw/zinc/13/54/95/383135495.db2.gz DRRKQBDLNKBWSV-LLVKDONJSA-N 1 2 284.381 2.874 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060002 383135556 /nfs/dbraw/zinc/13/55/56/383135556.db2.gz LPKMGJAQMIWKDS-GHMZBOCLSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060002 383135559 /nfs/dbraw/zinc/13/55/59/383135559.db2.gz LPKMGJAQMIWKDS-GHMZBOCLSA-N 1 2 264.325 2.778 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339083971 383143896 /nfs/dbraw/zinc/14/38/96/383143896.db2.gz ONZDILRJLDWXPV-LLVKDONJSA-N 1 2 293.348 2.998 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339002537 383115336 /nfs/dbraw/zinc/11/53/36/383115336.db2.gz UAWUBBVTPAYCQC-HNNXBMFYSA-N 1 2 296.342 2.625 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000339002537 383115339 /nfs/dbraw/zinc/11/53/39/383115339.db2.gz UAWUBBVTPAYCQC-HNNXBMFYSA-N 1 2 296.342 2.625 20 5 CFBDLO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123468 383158303 /nfs/dbraw/zinc/15/83/03/383158303.db2.gz FYGHUAIBWMCBQO-ZYHUDNBSSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123468 383158307 /nfs/dbraw/zinc/15/83/07/383158307.db2.gz FYGHUAIBWMCBQO-ZYHUDNBSSA-N 1 2 264.325 2.921 20 5 CFBDLO CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492698 383330821 /nfs/dbraw/zinc/33/08/21/383330821.db2.gz JWUPWPFBIIZSAB-IAQYHMDHSA-N 1 2 294.351 2.547 20 5 CFBDLO CCO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492698 383330825 /nfs/dbraw/zinc/33/08/25/383330825.db2.gz JWUPWPFBIIZSAB-IAQYHMDHSA-N 1 2 294.351 2.547 20 5 CFBDLO CC1(C)C[C@@H]([NH2+]Cc2ncccn2)c2cc([N+](=O)[O-])ccc21 ZINC000521464237 383297397 /nfs/dbraw/zinc/29/73/97/383297397.db2.gz OOVIQXAGXRWKJY-CQSZACIVSA-N 1 2 298.346 2.897 20 5 CFBDLO COc1cc(C)[nH+]c(CSc2ncccc2[N+](=O)[O-])c1 ZINC000339745743 383305045 /nfs/dbraw/zinc/30/50/45/383305045.db2.gz ZEWYKMRXTJNWSK-UHFFFAOYSA-N 1 2 291.332 2.994 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)cs1 ZINC000449527553 383352944 /nfs/dbraw/zinc/35/29/44/383352944.db2.gz JHSHQYPRGRRGLR-LLVKDONJSA-N 1 2 284.406 2.984 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2C2CC2)cs1 ZINC000449527553 383352950 /nfs/dbraw/zinc/35/29/50/383352950.db2.gz JHSHQYPRGRRGLR-LLVKDONJSA-N 1 2 284.406 2.984 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190428 383375562 /nfs/dbraw/zinc/37/55/62/383375562.db2.gz FGGCBQRHURQVDY-UHFFFAOYSA-N 1 2 278.356 2.507 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190428 383375569 /nfs/dbraw/zinc/37/55/69/383375569.db2.gz FGGCBQRHURQVDY-UHFFFAOYSA-N 1 2 278.356 2.507 20 5 CFBDLO CC1(C)COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255836357 383487150 /nfs/dbraw/zinc/48/71/50/383487150.db2.gz CDCPWYZUVPHMAD-ALCCZGGFSA-N 1 2 276.336 2.719 20 5 CFBDLO CC1(C)COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255836357 383487153 /nfs/dbraw/zinc/48/71/53/383487153.db2.gz CDCPWYZUVPHMAD-ALCCZGGFSA-N 1 2 276.336 2.719 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000450834775 383511679 /nfs/dbraw/zinc/51/16/79/383511679.db2.gz VMGDWGQERHYCFA-JTQLQIEISA-N 1 2 292.343 2.509 20 5 CFBDLO COc1cc[nH+]cc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000431406281 383668180 /nfs/dbraw/zinc/66/81/80/383668180.db2.gz TTZZGSCSCNOLIG-UHFFFAOYSA-N 1 2 294.698 2.659 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277494343 384319223 /nfs/dbraw/zinc/31/92/23/384319223.db2.gz QTTJGCDFRUBORS-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277494343 384319230 /nfs/dbraw/zinc/31/92/30/384319230.db2.gz QTTJGCDFRUBORS-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000269601657 384799498 /nfs/dbraw/zinc/79/94/98/384799498.db2.gz AQUQCNRDKGDPNE-VIFPVBQESA-N 1 2 296.277 2.818 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1 ZINC000270313585 385052866 /nfs/dbraw/zinc/05/28/66/385052866.db2.gz UJIZCWLVSUMBAE-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1 ZINC000270313585 385052874 /nfs/dbraw/zinc/05/28/74/385052874.db2.gz UJIZCWLVSUMBAE-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282419307 385307006 /nfs/dbraw/zinc/30/70/06/385307006.db2.gz GNEVZEFDMQUZGP-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282419307 385307015 /nfs/dbraw/zinc/30/70/15/385307015.db2.gz GNEVZEFDMQUZGP-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CN(Cc1[nH+]ccn1C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000270998507 385297868 /nfs/dbraw/zinc/29/78/68/385297868.db2.gz JPUYXSNSJVHRBH-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000282693950 385372769 /nfs/dbraw/zinc/37/27/69/385372769.db2.gz KMWNHLHINFVZKL-JTQLQIEISA-N 1 2 291.307 2.751 20 5 CFBDLO CC(C)[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000282730063 385378123 /nfs/dbraw/zinc/37/81/23/385378123.db2.gz CJWIIUDAZKRQQP-JTQLQIEISA-N 1 2 294.336 2.507 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283229251 385449330 /nfs/dbraw/zinc/44/93/30/385449330.db2.gz UBLHODPDHRICIO-ZDUSSCGKSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283229251 385449333 /nfs/dbraw/zinc/44/93/33/385449333.db2.gz UBLHODPDHRICIO-ZDUSSCGKSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1cccc(CCCNc2ccc(N)cc2[N+](=O)[O-])[nH+]1 ZINC000286704219 385691269 /nfs/dbraw/zinc/69/12/69/385691269.db2.gz YQVSOZIICQNOLK-UHFFFAOYSA-N 1 2 286.335 2.925 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000276859463 386062505 /nfs/dbraw/zinc/06/25/05/386062505.db2.gz GEWGJFIZSLQYFK-NEPJUHHUSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000276859463 386062508 /nfs/dbraw/zinc/06/25/08/386062508.db2.gz GEWGJFIZSLQYFK-NEPJUHHUSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1[N+](=O)[O-] ZINC000266925672 131798952 /nfs/dbraw/zinc/79/89/52/131798952.db2.gz ZLKPRSKXUNYAJD-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744223 132059533 /nfs/dbraw/zinc/05/95/33/132059533.db2.gz RKUWJOVXZPQEII-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744223 132059535 /nfs/dbraw/zinc/05/95/35/132059535.db2.gz RKUWJOVXZPQEII-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccn1C ZINC000184664857 393530068 /nfs/dbraw/zinc/53/00/68/393530068.db2.gz JZFGFOQJSFNHLO-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO CC(C)([NH2+]Cc1cocn1)c1ccc([N+](=O)[O-])cc1 ZINC000192323308 393621694 /nfs/dbraw/zinc/62/16/94/393621694.db2.gz HOAOOLGUQQDSFZ-UHFFFAOYSA-N 1 2 261.281 2.608 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339071481 393815680 /nfs/dbraw/zinc/81/56/80/393815680.db2.gz RCFFNQLYNJIEDX-SNVBAGLBSA-N 1 2 288.303 2.857 20 5 CFBDLO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344730713 393903244 /nfs/dbraw/zinc/90/32/44/393903244.db2.gz YPKPSWHCUPZLCX-ZFWWWQNUSA-N 1 2 294.351 2.594 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000430234176 393971713 /nfs/dbraw/zinc/97/17/13/393971713.db2.gz VFYPATKJZPSOSW-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000430234176 393971716 /nfs/dbraw/zinc/97/17/16/393971716.db2.gz VFYPATKJZPSOSW-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000266988618 393985440 /nfs/dbraw/zinc/98/54/40/393985440.db2.gz UFGOTDUPQYQPBB-UHFFFAOYSA-N 1 2 286.335 2.941 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)c1 ZINC000133775490 394182218 /nfs/dbraw/zinc/18/22/18/394182218.db2.gz OAFYZJMOLWPYTG-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO Cc1nc(N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450831727 394341309 /nfs/dbraw/zinc/34/13/09/394341309.db2.gz PVRIHSXDAISEIW-WPRPVWTQSA-N 1 2 273.296 2.613 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451119278 394359875 /nfs/dbraw/zinc/35/98/75/394359875.db2.gz ZTBZGAPHOTUNRZ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451119278 394359877 /nfs/dbraw/zinc/35/98/77/394359877.db2.gz ZTBZGAPHOTUNRZ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353933166 292100712 /nfs/dbraw/zinc/10/07/12/292100712.db2.gz VBPIDJMZUIUPGD-GFCCVEGCSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353933166 292100713 /nfs/dbraw/zinc/10/07/13/292100713.db2.gz VBPIDJMZUIUPGD-GFCCVEGCSA-N 1 2 278.352 2.903 20 5 CFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000343271783 154162496 /nfs/dbraw/zinc/16/24/96/154162496.db2.gz CJNQTWRMXBATOA-ZDUSSCGKSA-N 1 2 272.308 2.892 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000343366920 154186522 /nfs/dbraw/zinc/18/65/22/154186522.db2.gz GFWYAZYRXKMQAR-UHFFFAOYSA-N 1 2 298.346 2.624 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000345654828 154232506 /nfs/dbraw/zinc/23/25/06/154232506.db2.gz UUUMCPYHMXRMPV-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000348188025 154354790 /nfs/dbraw/zinc/35/47/90/154354790.db2.gz REYFTFNRVGLAEL-UHFFFAOYSA-N 1 2 282.259 2.968 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348238755 154374177 /nfs/dbraw/zinc/37/41/77/154374177.db2.gz ZGGXAOFNVUOWKB-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348238755 154374181 /nfs/dbraw/zinc/37/41/81/154374181.db2.gz ZGGXAOFNVUOWKB-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000374919915 157174239 /nfs/dbraw/zinc/17/42/39/157174239.db2.gz WLXKQAWLDLCYPU-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)c(F)c1 ZINC000045108320 175308680 /nfs/dbraw/zinc/30/86/80/175308680.db2.gz XNLMDDUKDYFNBH-UHFFFAOYSA-N 1 2 278.287 2.823 20 5 CFBDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448862 287347626 /nfs/dbraw/zinc/34/76/26/287347626.db2.gz HHICJFKGFDRJTH-GXFFZTMASA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448862 287347630 /nfs/dbraw/zinc/34/76/30/287347630.db2.gz HHICJFKGFDRJTH-GXFFZTMASA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)[nH+]1 ZINC000520507691 265841654 /nfs/dbraw/zinc/84/16/54/265841654.db2.gz NGLGOAVEXOOHJJ-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000392374636 270306474 /nfs/dbraw/zinc/30/64/74/270306474.db2.gz HYRMNTAVHLQGGL-VHSXEESVSA-N 1 2 289.339 2.742 20 5 CFBDLO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000397874287 270320137 /nfs/dbraw/zinc/32/01/37/270320137.db2.gz JJEFRRHQSRTBAG-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO Cc1occc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000414453986 279277290 /nfs/dbraw/zinc/27/72/90/279277290.db2.gz NSVSSOZXOOSEML-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO Cc1occc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000414453986 279277293 /nfs/dbraw/zinc/27/72/93/279277293.db2.gz NSVSSOZXOOSEML-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050352175 279388476 /nfs/dbraw/zinc/38/84/76/279388476.db2.gz AAIZPQQSAKLTCH-SECBINFHSA-N 1 2 280.715 2.945 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000129242343 280687760 /nfs/dbraw/zinc/68/77/60/280687760.db2.gz WYXCCEFYGAXDLZ-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C\c2[nH+]ccn2CC(F)(F)F)nc1 ZINC000439537407 281238459 /nfs/dbraw/zinc/23/84/59/281238459.db2.gz YWVASUDWLMWMMN-RQOWECAXSA-N 1 2 298.224 2.919 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000330448088 289981227 /nfs/dbraw/zinc/98/12/27/289981227.db2.gz GTTPYBZRGNWJGH-JTQLQIEISA-N 1 2 264.325 2.969 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC4(CCO4)CC3)c2c1 ZINC000562727617 290071823 /nfs/dbraw/zinc/07/18/23/290071823.db2.gz PVPPKVNGNJDJPL-UHFFFAOYSA-N 1 2 299.330 2.902 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000563082040 290101721 /nfs/dbraw/zinc/10/17/21/290101721.db2.gz UMIHFQKLCZXUBW-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000563082040 290101724 /nfs/dbraw/zinc/10/17/24/290101724.db2.gz UMIHFQKLCZXUBW-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnccn2)C2CC2)c1 ZINC000563089862 290102428 /nfs/dbraw/zinc/10/24/28/290102428.db2.gz AZOBUTIJQAQHDQ-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnccn2)C2CC2)c1 ZINC000563089862 290102431 /nfs/dbraw/zinc/10/24/31/290102431.db2.gz AZOBUTIJQAQHDQ-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO CCn1cccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582765762 325231615 /nfs/dbraw/zinc/23/16/15/325231615.db2.gz MAMPVKRWKPFTNF-UHFFFAOYSA-N 1 2 285.347 2.975 20 5 CFBDLO CCn1cccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582765762 325231619 /nfs/dbraw/zinc/23/16/19/325231619.db2.gz MAMPVKRWKPFTNF-UHFFFAOYSA-N 1 2 285.347 2.975 20 5 CFBDLO CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139797777 522968183 /nfs/dbraw/zinc/96/81/83/522968183.db2.gz XGFDDHGWZVLTFP-SSDOTTSWSA-N 1 2 292.324 2.590 20 5 CFBDLO Cn1cccc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000156938289 523528650 /nfs/dbraw/zinc/52/86/50/523528650.db2.gz ZNEJETUTEOTRIQ-UHFFFAOYSA-N 1 2 265.338 2.627 20 5 CFBDLO Cn1cccc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000156938289 523528661 /nfs/dbraw/zinc/52/86/61/523528661.db2.gz ZNEJETUTEOTRIQ-UHFFFAOYSA-N 1 2 265.338 2.627 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000315399568 524795918 /nfs/dbraw/zinc/79/59/18/524795918.db2.gz UWNCDRCTQVTSQS-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311242216 525171796 /nfs/dbraw/zinc/17/17/96/525171796.db2.gz XFZHGPIZKIXLRJ-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311242216 525171805 /nfs/dbraw/zinc/17/18/05/525171805.db2.gz XFZHGPIZKIXLRJ-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000049236082 525570045 /nfs/dbraw/zinc/57/00/45/525570045.db2.gz SVAPBPRTPYSVIQ-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1[N+](=O)[O-] ZINC000192162391 525736626 /nfs/dbraw/zinc/73/66/26/525736626.db2.gz FVWQVQOYJBQRGZ-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1ccoc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336818335 525805139 /nfs/dbraw/zinc/80/51/39/525805139.db2.gz VCAUAWRLLPZWOO-UHFFFAOYSA-N 1 2 264.256 2.925 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOC(F)F)c2c1 ZINC000413276392 534884623 /nfs/dbraw/zinc/88/46/23/534884623.db2.gz CBCHENUIWZAXKK-UHFFFAOYSA-N 1 2 297.261 2.606 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CC[C@@H](O)C3)c2c1 ZINC000413260138 534884743 /nfs/dbraw/zinc/88/47/43/534884743.db2.gz IXPDTPGNNDOOAA-ZWNOBZJWSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3nccc(C)c3[N+](=O)[O-])cn2c1 ZINC000360266709 526250108 /nfs/dbraw/zinc/25/01/08/526250108.db2.gz RWFAOHPDQZZBQG-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000049240931 526649189 /nfs/dbraw/zinc/64/91/89/526649189.db2.gz YNWBKPKFMHGYBT-DTWKUNHWSA-N 1 2 276.296 2.698 20 5 CFBDLO CC(C)[C@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167243 527730044 /nfs/dbraw/zinc/73/00/44/527730044.db2.gz VFSIYHBZBKJPSD-CQSZACIVSA-N 1 2 289.335 2.962 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491366407 537120778 /nfs/dbraw/zinc/12/07/78/537120778.db2.gz LVJGTPFPYNYXBN-VOTSOKGWSA-N 1 2 299.286 2.650 20 5 CFBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000754856774 574124924 /nfs/dbraw/zinc/12/49/24/574124924.db2.gz LYBNTAIWPUZJNM-JYRVWZFOSA-N 1 2 286.335 2.784 20 5 CFBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000754856774 574124926 /nfs/dbraw/zinc/12/49/26/574124926.db2.gz LYBNTAIWPUZJNM-JYRVWZFOSA-N 1 2 286.335 2.784 20 5 CFBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749516162 574298936 /nfs/dbraw/zinc/29/89/36/574298936.db2.gz SXBDDWYODPVZSO-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749516162 574298938 /nfs/dbraw/zinc/29/89/38/574298938.db2.gz SXBDDWYODPVZSO-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1COCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749516161 574299070 /nfs/dbraw/zinc/29/90/70/574299070.db2.gz SXBDDWYODPVZSO-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1COCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749516161 574299072 /nfs/dbraw/zinc/29/90/72/574299072.db2.gz SXBDDWYODPVZSO-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000932335528 617650451 /nfs/dbraw/zinc/65/04/51/617650451.db2.gz HYSJVCNOABNZFB-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000932335528 617650452 /nfs/dbraw/zinc/65/04/52/617650452.db2.gz HYSJVCNOABNZFB-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CCn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000891620953 617689009 /nfs/dbraw/zinc/68/90/09/617689009.db2.gz MDRVKOWCIOEFFK-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO CCn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000891620953 617689011 /nfs/dbraw/zinc/68/90/11/617689011.db2.gz MDRVKOWCIOEFFK-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO CCc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000052926312 618204459 /nfs/dbraw/zinc/20/44/59/618204459.db2.gz GUGLMXSBPBFYEP-UHFFFAOYSA-N 1 2 277.349 2.904 20 5 CFBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000234321967 618207673 /nfs/dbraw/zinc/20/76/73/618207673.db2.gz IBHKNDDVVHVEGI-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000234321967 618207675 /nfs/dbraw/zinc/20/76/75/618207675.db2.gz IBHKNDDVVHVEGI-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)[nH+]c1C ZINC000895196835 618461530 /nfs/dbraw/zinc/46/15/30/618461530.db2.gz NFDOOYXULMHSIN-LBPRGKRZSA-N 1 2 287.323 2.671 20 5 CFBDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054426 619275437 /nfs/dbraw/zinc/27/54/37/619275437.db2.gz UYHYEILWLJWMBS-ZWNOBZJWSA-N 1 2 264.325 2.644 20 5 CFBDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054426 619275438 /nfs/dbraw/zinc/27/54/38/619275438.db2.gz UYHYEILWLJWMBS-ZWNOBZJWSA-N 1 2 264.325 2.644 20 5 CFBDLO CCNc1cc(CNc2ncc(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC000894869914 619492174 /nfs/dbraw/zinc/49/21/74/619492174.db2.gz GKINWKYSHNHIRZ-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO COc1cc([C@@H](C)[NH2+]Cc2nccs2)cc([N+](=O)[O-])c1 ZINC000903073831 621251704 /nfs/dbraw/zinc/25/17/04/621251704.db2.gz LGGIXLFYIKUXKM-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO COc1ccccc1[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905101362 621699541 /nfs/dbraw/zinc/69/95/41/621699541.db2.gz KBHFDJSKHSZPIB-MRXNPFEDSA-N 1 2 286.331 2.651 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921190067 624819734 /nfs/dbraw/zinc/81/97/34/624819734.db2.gz OSMZSZKYXIJAOB-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO CCc1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)co1 ZINC000834899944 625915253 /nfs/dbraw/zinc/91/52/53/625915253.db2.gz RVOOOEJONXMGCU-VIFPVBQESA-N 1 2 290.323 2.578 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000839197224 626531953 /nfs/dbraw/zinc/53/19/53/626531953.db2.gz VOTXSUALPAZZAB-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1OCc1cc[nH+]c(N(C)C)c1 ZINC000762476389 626918085 /nfs/dbraw/zinc/91/80/85/626918085.db2.gz ALLVESJVLDMSBU-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO O=C(O[C@@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000780559443 628477194 /nfs/dbraw/zinc/47/71/94/628477194.db2.gz UZKQEDMGYHRTDQ-GFCCVEGCSA-N 1 2 299.286 2.656 20 5 CFBDLO C[N@H+](CC[N+](=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000791053201 629284006 /nfs/dbraw/zinc/28/40/06/629284006.db2.gz JBAXRKMTNHBMLP-UHFFFAOYSA-N 1 2 263.124 2.702 20 5 CFBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000791053201 629284009 /nfs/dbraw/zinc/28/40/09/629284009.db2.gz JBAXRKMTNHBMLP-UHFFFAOYSA-N 1 2 263.124 2.702 20 5 CFBDLO Cc1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000815561573 632289212 /nfs/dbraw/zinc/28/92/12/632289212.db2.gz JSKAADAUGUIXDA-MRVPVSSYSA-N 1 2 292.364 2.793 20 5 CFBDLO C[C@@H](CC(=O)OCc1csc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845279214 632401023 /nfs/dbraw/zinc/40/10/23/632401023.db2.gz AUMDUBZQEREIPM-VIFPVBQESA-N 1 2 295.320 2.547 20 5 CFBDLO Cn1cc(C(F)F)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000865810102 638586115 /nfs/dbraw/zinc/58/61/15/638586115.db2.gz JNVLWAGMRRYLFC-UHFFFAOYSA-N 1 2 296.277 2.556 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCF)C2)c(F)c1 ZINC000865927814 638661954 /nfs/dbraw/zinc/66/19/54/638661954.db2.gz INASWDQGXZARAW-JTQLQIEISA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCF)C2)c(F)c1 ZINC000865927814 638661960 /nfs/dbraw/zinc/66/19/60/638661960.db2.gz INASWDQGXZARAW-JTQLQIEISA-N 1 2 285.294 2.580 20 5 CFBDLO C[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774304 650963110 /nfs/dbraw/zinc/96/31/10/650963110.db2.gz WNZMTAQZZSTSIU-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774304 650963111 /nfs/dbraw/zinc/96/31/11/650963111.db2.gz WNZMTAQZZSTSIU-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000886090184 646862208 /nfs/dbraw/zinc/86/22/08/646862208.db2.gz RMJUBSSKBZYYAW-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000886090184 646862212 /nfs/dbraw/zinc/86/22/12/646862212.db2.gz RMJUBSSKBZYYAW-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452370 649430516 /nfs/dbraw/zinc/43/05/16/649430516.db2.gz JHOWYLQQKBYERK-GHMZBOCLSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452370 649430518 /nfs/dbraw/zinc/43/05/18/649430518.db2.gz JHOWYLQQKBYERK-GHMZBOCLSA-N 1 2 286.335 2.998 20 5 CFBDLO Cc1c(NCc2cc[nH+]c(N)c2)cc(F)cc1[N+](=O)[O-] ZINC001167617144 770993939 /nfs/dbraw/zinc/99/39/39/770993939.db2.gz HWJQOBSBFMMOGG-UHFFFAOYSA-N 1 2 276.271 2.632 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(Cl)cnc2[N+](=O)[O-])C1 ZINC001233713221 778051641 /nfs/dbraw/zinc/05/16/41/778051641.db2.gz PULAEKULMPNQQW-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591778 349453802 /nfs/dbraw/zinc/45/38/02/349453802.db2.gz KGGAEAYAQYXELW-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591778 349453805 /nfs/dbraw/zinc/45/38/05/349453805.db2.gz KGGAEAYAQYXELW-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000594710118 349478549 /nfs/dbraw/zinc/47/85/49/349478549.db2.gz IKCSLIVOMGWNKV-NRUUGDAUSA-N 1 2 287.323 2.543 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291354 349592770 /nfs/dbraw/zinc/59/27/70/349592770.db2.gz REFJKPWKMWSFPO-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291354 349592776 /nfs/dbraw/zinc/59/27/76/349592776.db2.gz REFJKPWKMWSFPO-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO COc1ccccc1[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595407904 349618338 /nfs/dbraw/zinc/61/83/38/349618338.db2.gz GWJKVSCYHOCVEN-VIFPVBQESA-N 1 2 291.307 2.751 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000595427539 349622158 /nfs/dbraw/zinc/62/21/58/349622158.db2.gz ZJUYNFWEVXBUQX-VHSXEESVSA-N 1 2 289.339 2.687 20 5 CFBDLO CC[N@H+](Cc1occc1C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595546732 349656571 /nfs/dbraw/zinc/65/65/71/349656571.db2.gz QNIGKAHFEYEUBP-UHFFFAOYSA-N 1 2 279.296 2.815 20 5 CFBDLO CC[N@@H+](Cc1occc1C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595546732 349656572 /nfs/dbraw/zinc/65/65/72/349656572.db2.gz QNIGKAHFEYEUBP-UHFFFAOYSA-N 1 2 279.296 2.815 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595674259 349697272 /nfs/dbraw/zinc/69/72/72/349697272.db2.gz JWQFENYMLCWHOG-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000595674259 349697275 /nfs/dbraw/zinc/69/72/75/349697275.db2.gz JWQFENYMLCWHOG-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO Cc1nnc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000595698159 349707813 /nfs/dbraw/zinc/70/78/13/349707813.db2.gz DIQRIHBPYPNDSJ-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1nnc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000595698159 349707814 /nfs/dbraw/zinc/70/78/14/349707814.db2.gz DIQRIHBPYPNDSJ-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596541412 349935943 /nfs/dbraw/zinc/93/59/43/349935943.db2.gz FUZJCZDBPJRANI-ZETCQYMHSA-N 1 2 281.703 2.550 20 5 CFBDLO Cc1nn(C)c(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000077982092 347222524 /nfs/dbraw/zinc/22/25/24/347222524.db2.gz RZOWRQIESDBPAB-UHFFFAOYSA-N 1 2 299.290 2.615 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnccn1 ZINC000080966039 347391028 /nfs/dbraw/zinc/39/10/28/347391028.db2.gz BYQUSWPUVQZEQU-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnccn1 ZINC000080966039 347391033 /nfs/dbraw/zinc/39/10/33/347391033.db2.gz BYQUSWPUVQZEQU-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000088701475 347507124 /nfs/dbraw/zinc/50/71/24/347507124.db2.gz MVTMEWBLEQPBMM-LBPRGKRZSA-N 1 2 274.324 2.848 20 5 CFBDLO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000091628565 347594237 /nfs/dbraw/zinc/59/42/37/347594237.db2.gz JWSNRFSSUSIRAF-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000092737156 347642979 /nfs/dbraw/zinc/64/29/79/347642979.db2.gz ZNGOZXWXLXSXPK-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000092737156 347642983 /nfs/dbraw/zinc/64/29/83/347642983.db2.gz ZNGOZXWXLXSXPK-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[N@H+](Cc1ccoc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092935758 347652082 /nfs/dbraw/zinc/65/20/82/347652082.db2.gz TUCYPGHXCDFSQI-UHFFFAOYSA-N 1 2 276.292 2.916 20 5 CFBDLO CC[N@@H+](Cc1ccoc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092935758 347652083 /nfs/dbraw/zinc/65/20/83/347652083.db2.gz TUCYPGHXCDFSQI-UHFFFAOYSA-N 1 2 276.292 2.916 20 5 CFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093504261 347678655 /nfs/dbraw/zinc/67/86/55/347678655.db2.gz GEZKBHNFZJRSOQ-UHFFFAOYSA-N 1 2 282.365 2.628 20 5 CFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093504261 347678657 /nfs/dbraw/zinc/67/86/57/347678657.db2.gz GEZKBHNFZJRSOQ-UHFFFAOYSA-N 1 2 282.365 2.628 20 5 CFBDLO CSCC[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093558549 347679846 /nfs/dbraw/zinc/67/98/46/347679846.db2.gz KUFUJOSMDBOFBF-JTQLQIEISA-N 1 2 284.381 2.874 20 5 CFBDLO CSCC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093558549 347679848 /nfs/dbraw/zinc/67/98/48/347679848.db2.gz KUFUJOSMDBOFBF-JTQLQIEISA-N 1 2 284.381 2.874 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCc2cccc(C)[nH+]2)c1 ZINC000281402230 348342527 /nfs/dbraw/zinc/34/25/27/348342527.db2.gz HCWAVQYBIIKPGQ-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1noc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000284974721 348345699 /nfs/dbraw/zinc/34/56/99/348345699.db2.gz XTOGUJMBIJSXGE-UHFFFAOYSA-N 1 2 290.323 2.620 20 5 CFBDLO C[C@@H](O)C[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149379 233024723 /nfs/dbraw/zinc/02/47/23/233024723.db2.gz BKLFIQUCAMVQOK-WDEREUQCSA-N 1 2 289.335 2.962 20 5 CFBDLO C[C@H](CCCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413326256 233053201 /nfs/dbraw/zinc/05/32/01/233053201.db2.gz LBXZOZGGDWPBKQ-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723722 348937059 /nfs/dbraw/zinc/93/70/59/348937059.db2.gz NPQBSXOCWHEZLB-HTQZYQBOSA-N 1 2 264.310 2.971 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593061735 349198136 /nfs/dbraw/zinc/19/81/36/349198136.db2.gz DHCLDVXYGCZNGW-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593061735 349198139 /nfs/dbraw/zinc/19/81/39/349198139.db2.gz DHCLDVXYGCZNGW-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)CO1 ZINC000593064097 349199634 /nfs/dbraw/zinc/19/96/34/349199634.db2.gz WYDWGJNJPAYAST-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)CO1 ZINC000593064097 349199638 /nfs/dbraw/zinc/19/96/38/349199638.db2.gz WYDWGJNJPAYAST-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066375 349200508 /nfs/dbraw/zinc/20/05/08/349200508.db2.gz BXNUKLJFPSDDJP-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066375 349200510 /nfs/dbraw/zinc/20/05/10/349200510.db2.gz BXNUKLJFPSDDJP-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnc[nH]1 ZINC000597171636 350043591 /nfs/dbraw/zinc/04/35/91/350043591.db2.gz YBEZSDBEZVMMIH-SDQBBNPISA-N 1 2 286.335 2.853 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOC2(CCC2)C1 ZINC000599063614 350368172 /nfs/dbraw/zinc/36/81/72/350368172.db2.gz FAQQRHHETSKLAI-UHFFFAOYSA-N 1 2 299.330 2.902 20 5 CFBDLO CC(C)[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046403 350364303 /nfs/dbraw/zinc/36/43/03/350364303.db2.gz ITYDPMYOJVSALM-ZDUSSCGKSA-N 1 2 275.308 2.572 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(C(F)F)C1 ZINC000599054918 350366514 /nfs/dbraw/zinc/36/65/14/350366514.db2.gz DGKSMJMSBKDSDX-UHFFFAOYSA-N 1 2 279.246 2.844 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2C[C@@H](O)C23CCC3)ccc2c[nH+]ccc21 ZINC000599105921 350376638 /nfs/dbraw/zinc/37/66/38/350376638.db2.gz GNGHJXZBYAUIQZ-UONOGXRCSA-N 1 2 299.330 2.858 20 5 CFBDLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107291176 186166262 /nfs/dbraw/zinc/16/62/62/186166262.db2.gz WYMKGMCIYVHTHI-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1-c1c[nH+]c2n1CCCC2 ZINC000600846505 350619400 /nfs/dbraw/zinc/61/94/00/350619400.db2.gz ZHQVAYYRMPDSQS-UHFFFAOYSA-N 1 2 261.256 2.934 20 5 CFBDLO CN(C)c1c[nH+]cc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000601141991 350680378 /nfs/dbraw/zinc/68/03/78/350680378.db2.gz UQYHSKZQGRBDMH-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@H](O)C(F)F)c2c1 ZINC000601222109 350701445 /nfs/dbraw/zinc/70/14/45/350701445.db2.gz HEPUMCQMXOFPML-NSHDSACASA-N 1 2 297.261 2.571 20 5 CFBDLO CCC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602687830 350979898 /nfs/dbraw/zinc/97/98/98/350979898.db2.gz DMRDBRXOMICFSQ-UHFFFAOYSA-N 1 2 275.308 2.968 20 5 CFBDLO CC(C)c1ccc(C[NH2+]Cc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000602729786 351003221 /nfs/dbraw/zinc/00/32/21/351003221.db2.gz CYYOMJBJMWTGRK-UHFFFAOYSA-N 1 2 274.324 2.731 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1[nH]cc[nH+]1 ZINC000609536106 351506366 /nfs/dbraw/zinc/50/63/66/351506366.db2.gz KZGNXKBIRBGEIT-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000610726399 351598179 /nfs/dbraw/zinc/59/81/79/351598179.db2.gz BIORGLMFKYYEJS-GHMZBOCLSA-N 1 2 292.364 2.940 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501496 351698168 /nfs/dbraw/zinc/69/81/68/351698168.db2.gz CZRMDESQXRVBLV-JQWIXIFHSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501496 351698171 /nfs/dbraw/zinc/69/81/71/351698171.db2.gz CZRMDESQXRVBLV-JQWIXIFHSA-N 1 2 252.289 2.775 20 5 CFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000611802216 351741977 /nfs/dbraw/zinc/74/19/77/351741977.db2.gz RNDVJVKAOGZCGV-LBPRGKRZSA-N 1 2 286.335 2.677 20 5 CFBDLO C[C@H]1COCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413195025 290951993 /nfs/dbraw/zinc/95/19/93/290951993.db2.gz BZPDRZLCTFXKLH-LLVKDONJSA-N 1 2 287.319 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](C(F)F)C3)nc2c1 ZINC000618291156 352749635 /nfs/dbraw/zinc/74/96/35/352749635.db2.gz PBIMZRQOUBTYNT-QMMMGPOBSA-N 1 2 296.277 2.558 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](C(F)F)C3)nc2c1 ZINC000618291156 352749638 /nfs/dbraw/zinc/74/96/38/352749638.db2.gz PBIMZRQOUBTYNT-QMMMGPOBSA-N 1 2 296.277 2.558 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CCC2 ZINC000618573414 352814856 /nfs/dbraw/zinc/81/48/56/352814856.db2.gz NHRDSOXWVRRIGJ-AWEZNQCLSA-N 1 2 273.292 2.750 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000158662734 188388019 /nfs/dbraw/zinc/38/80/19/188388019.db2.gz YJXMSQDJAJJHAV-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774870 291020206 /nfs/dbraw/zinc/02/02/06/291020206.db2.gz SXLJZEOAKHYUDS-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774870 291020209 /nfs/dbraw/zinc/02/02/09/291020209.db2.gz SXLJZEOAKHYUDS-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301643293 201112283 /nfs/dbraw/zinc/11/22/83/201112283.db2.gz OGDSSZYHGWZDIS-OAHLLOKOSA-N 1 2 299.330 2.956 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000183381841 189357823 /nfs/dbraw/zinc/35/78/23/189357823.db2.gz UYFQPVYBKXPZBO-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000183381841 189357824 /nfs/dbraw/zinc/35/78/24/189357824.db2.gz UYFQPVYBKXPZBO-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO CNc1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000301745810 201171763 /nfs/dbraw/zinc/17/17/63/201171763.db2.gz OUNFOUZIHQUNFJ-UHFFFAOYSA-N 1 2 279.687 2.824 20 5 CFBDLO CCC[C@@H]([NH2+]CC(F)(F)CO)c1cccc([N+](=O)[O-])c1 ZINC000184716091 189393432 /nfs/dbraw/zinc/39/34/32/189393432.db2.gz JBOVDCMUIXXEFO-GFCCVEGCSA-N 1 2 288.294 2.653 20 5 CFBDLO COC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459576030 245224666 /nfs/dbraw/zinc/22/46/66/245224666.db2.gz GETHQGZJDSBVCX-UHFFFAOYSA-N 1 2 288.303 2.685 20 5 CFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])o1 ZINC000046105727 373043763 /nfs/dbraw/zinc/04/37/63/373043763.db2.gz AAFAWXWIEYASBW-UHFFFAOYSA-N 1 2 298.258 2.626 20 5 CFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cscn1 ZINC000063592620 373810993 /nfs/dbraw/zinc/81/09/93/373810993.db2.gz GDJPMZWVFMSKJW-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cscn1 ZINC000063592620 373810999 /nfs/dbraw/zinc/81/09/99/373810999.db2.gz GDJPMZWVFMSKJW-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000065422876 373870878 /nfs/dbraw/zinc/87/08/78/373870878.db2.gz CFDMMGDGFWVCFM-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000065422876 373870881 /nfs/dbraw/zinc/87/08/81/373870881.db2.gz CFDMMGDGFWVCFM-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000120892965 376717381 /nfs/dbraw/zinc/71/73/81/376717381.db2.gz PMNZHKQZHFRMFJ-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000120892965 376717386 /nfs/dbraw/zinc/71/73/86/376717386.db2.gz PMNZHKQZHFRMFJ-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000120893106 376717820 /nfs/dbraw/zinc/71/78/20/376717820.db2.gz PMNZHKQZHFRMFJ-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000120893106 376717824 /nfs/dbraw/zinc/71/78/24/376717824.db2.gz PMNZHKQZHFRMFJ-OAHLLOKOSA-N 1 2 288.303 2.761 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)F)CC1 ZINC000127140236 377267478 /nfs/dbraw/zinc/26/74/78/377267478.db2.gz FZGFHVZSWQXBCH-LLVKDONJSA-N 1 2 299.321 2.539 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000132608804 377858035 /nfs/dbraw/zinc/85/80/35/377858035.db2.gz TWTBYNKZZXJYGW-CQSZACIVSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000132608804 377858040 /nfs/dbraw/zinc/85/80/40/377858040.db2.gz TWTBYNKZZXJYGW-CQSZACIVSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@H](Nc1ncc(C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139798345 378236080 /nfs/dbraw/zinc/23/60/80/378236080.db2.gz SZXZGJONIFJXQW-SECBINFHSA-N 1 2 261.285 2.585 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC(F)(F)F)C2 ZINC000153075862 378472080 /nfs/dbraw/zinc/47/20/80/378472080.db2.gz DYPMFAPMDYACQC-UHFFFAOYSA-N 1 2 274.242 2.905 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC(F)(F)F)C2 ZINC000153075862 378472084 /nfs/dbraw/zinc/47/20/84/378472084.db2.gz DYPMFAPMDYACQC-UHFFFAOYSA-N 1 2 274.242 2.905 20 5 CFBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000153016486 378466684 /nfs/dbraw/zinc/46/66/84/378466684.db2.gz ORNYBCHOHKJQSH-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000153016486 378466689 /nfs/dbraw/zinc/46/66/89/378466689.db2.gz ORNYBCHOHKJQSH-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452143 378558787 /nfs/dbraw/zinc/55/87/87/378558787.db2.gz KIYAVLXGEOAEEM-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452143 378558794 /nfs/dbraw/zinc/55/87/94/378558794.db2.gz KIYAVLXGEOAEEM-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CCn1cc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000451888338 383731484 /nfs/dbraw/zinc/73/14/84/383731484.db2.gz ILWVHESQQNOVEU-JTQLQIEISA-N 1 2 292.314 2.801 20 5 CFBDLO CC[C@H]1CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000331990496 378718096 /nfs/dbraw/zinc/71/80/96/378718096.db2.gz PIPBDBLVMKCOCW-JTQLQIEISA-N 1 2 268.288 2.727 20 5 CFBDLO CC[C@H]1CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000331990496 378718100 /nfs/dbraw/zinc/71/81/00/378718100.db2.gz PIPBDBLVMKCOCW-JTQLQIEISA-N 1 2 268.288 2.727 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cncnc2C1 ZINC000332510099 378770838 /nfs/dbraw/zinc/77/08/38/378770838.db2.gz HMZOCGHZXOYZPI-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cncnc2C1 ZINC000332510099 378770844 /nfs/dbraw/zinc/77/08/44/378770844.db2.gz HMZOCGHZXOYZPI-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cncnc2C1 ZINC000332510097 378771474 /nfs/dbraw/zinc/77/14/74/378771474.db2.gz HMZOCGHZXOYZPI-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cncnc2C1 ZINC000332510097 378771477 /nfs/dbraw/zinc/77/14/77/378771477.db2.gz HMZOCGHZXOYZPI-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO CCc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000336811800 380671713 /nfs/dbraw/zinc/67/17/13/380671713.db2.gz OOMDLSSUHDCFDT-UHFFFAOYSA-N 1 2 260.297 2.503 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000353846473 380897957 /nfs/dbraw/zinc/89/79/57/380897957.db2.gz NNYJHXBPKCJTTF-UHFFFAOYSA-N 1 2 293.304 2.621 20 5 CFBDLO Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000182424297 381086644 /nfs/dbraw/zinc/08/66/44/381086644.db2.gz DCZGVGSZMATLRH-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289661475 381090106 /nfs/dbraw/zinc/09/01/06/381090106.db2.gz XYKLKZHZORNARK-TXEJJXNPSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289661475 381090112 /nfs/dbraw/zinc/09/01/12/381090112.db2.gz XYKLKZHZORNARK-TXEJJXNPSA-N 1 2 294.738 2.944 20 5 CFBDLO Cc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000341575104 381096883 /nfs/dbraw/zinc/09/68/83/381096883.db2.gz QSCPWYMOSJIBNL-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000182588679 381114854 /nfs/dbraw/zinc/11/48/54/381114854.db2.gz GSBNKRVGIWKSDF-VXGBXAGGSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000182588679 381114863 /nfs/dbraw/zinc/11/48/63/381114863.db2.gz GSBNKRVGIWKSDF-VXGBXAGGSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C)C1 ZINC000182588697 381115042 /nfs/dbraw/zinc/11/50/42/381115042.db2.gz GSBNKRVGIWKSDF-NEPJUHHUSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C)C1 ZINC000182588697 381115052 /nfs/dbraw/zinc/11/50/52/381115052.db2.gz GSBNKRVGIWKSDF-NEPJUHHUSA-N 1 2 264.325 2.685 20 5 CFBDLO Cc1cc(C(=O)Nc2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1 ZINC000358782730 381079632 /nfs/dbraw/zinc/07/96/32/381079632.db2.gz RQUUMUACJRJLOA-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000359080717 381252441 /nfs/dbraw/zinc/25/24/41/381252441.db2.gz HKGWWCRGGGLRNK-SNVBAGLBSA-N 1 2 289.339 2.551 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000342295100 381255673 /nfs/dbraw/zinc/25/56/73/381255673.db2.gz HZNVLVMIEANSBF-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356302 381260412 /nfs/dbraw/zinc/26/04/12/381260412.db2.gz WXRDTGRDIWZIQZ-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356302 381260423 /nfs/dbraw/zinc/26/04/23/381260423.db2.gz WXRDTGRDIWZIQZ-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000370055522 381374981 /nfs/dbraw/zinc/37/49/81/381374981.db2.gz KCEKKOWBGANKOM-NSHDSACASA-N 1 2 292.364 2.727 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000370055522 381374995 /nfs/dbraw/zinc/37/49/95/381374995.db2.gz KCEKKOWBGANKOM-NSHDSACASA-N 1 2 292.364 2.727 20 5 CFBDLO COC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413042907 381533744 /nfs/dbraw/zinc/53/37/44/381533744.db2.gz ZJCHMNXNFCXUDH-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290872976 381582170 /nfs/dbraw/zinc/58/21/70/381582170.db2.gz BDMVOPWQCBUZFK-JTQLQIEISA-N 1 2 292.314 2.987 20 5 CFBDLO COc1cncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000343768682 381933380 /nfs/dbraw/zinc/93/33/80/381933380.db2.gz YKLCBOINYIRBAZ-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000343768682 381933385 /nfs/dbraw/zinc/93/33/85/381933385.db2.gz YKLCBOINYIRBAZ-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000293265265 382053548 /nfs/dbraw/zinc/05/35/48/382053548.db2.gz BOPWRDSJYPOHSS-BDAKNGLRSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000293265265 382053559 /nfs/dbraw/zinc/05/35/59/382053559.db2.gz BOPWRDSJYPOHSS-BDAKNGLRSA-N 1 2 297.742 2.527 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cccc[nH+]1 ZINC000301062506 382070246 /nfs/dbraw/zinc/07/02/46/382070246.db2.gz ADWZFYBIJYWFEY-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO Cc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000343932454 382026460 /nfs/dbraw/zinc/02/64/60/382026460.db2.gz QLVRQIFCUDILIA-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000343932454 382026468 /nfs/dbraw/zinc/02/64/68/382026468.db2.gz QLVRQIFCUDILIA-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CN(CCCn1cc[nH+]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293197423 382026987 /nfs/dbraw/zinc/02/69/87/382026987.db2.gz UKOCGNPFEVSTSB-UHFFFAOYSA-N 1 2 294.742 2.971 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000344080952 382117499 /nfs/dbraw/zinc/11/74/99/382117499.db2.gz UOBWPWOIHLRCMJ-UHFFFAOYSA-N 1 2 297.318 2.781 20 5 CFBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000301092928 382078735 /nfs/dbraw/zinc/07/87/35/382078735.db2.gz SVFOLXUFFJQTHD-UHFFFAOYSA-N 1 2 258.281 2.799 20 5 CFBDLO Cc1cccc(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000302502639 382257771 /nfs/dbraw/zinc/25/77/71/382257771.db2.gz PEPGAXAEEXJRBC-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cc[nH]n1 ZINC000352426867 382327354 /nfs/dbraw/zinc/32/73/54/382327354.db2.gz ZBAFBRPKTCHKOM-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 ZINC000352426867 382327358 /nfs/dbraw/zinc/32/73/58/382327358.db2.gz ZBAFBRPKTCHKOM-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1c(CNc2cc[nH+]c3ccncc23)cccc1[N+](=O)[O-] ZINC000357883737 382361537 /nfs/dbraw/zinc/36/15/37/382361537.db2.gz UEBUUDRYHQJRQU-UHFFFAOYSA-N 1 2 294.314 2.880 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294030762 382386815 /nfs/dbraw/zinc/38/68/15/382386815.db2.gz OFVHFEOSKHHUCV-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294030762 382386820 /nfs/dbraw/zinc/38/68/20/382386820.db2.gz OFVHFEOSKHHUCV-CVEARBPZSA-N 1 2 288.347 2.738 20 5 CFBDLO Cn1c[nH+]cc1CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000388391217 382605994 /nfs/dbraw/zinc/60/59/94/382605994.db2.gz CCEVMQZBMHMSSA-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(C(F)F)CC1 ZINC000337278437 382792727 /nfs/dbraw/zinc/79/27/27/382792727.db2.gz HMMRWJZVALPNJS-HYXAFXHYSA-N 1 2 268.263 2.995 20 5 CFBDLO CCc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000230707206 382862706 /nfs/dbraw/zinc/86/27/06/382862706.db2.gz RJCOAXROVLCSBN-UHFFFAOYSA-N 1 2 277.349 2.904 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493708013 382880080 /nfs/dbraw/zinc/88/00/80/382880080.db2.gz PTYBKQOKSMHIAP-ARJAWSKDSA-N 1 2 286.291 2.587 20 5 CFBDLO CCc1cc(N)nc(SCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000447787964 383005274 /nfs/dbraw/zinc/00/52/74/383005274.db2.gz SFPWQLCVJUPMNR-UHFFFAOYSA-N 1 2 290.348 2.652 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(CC2)C1 ZINC000449370958 383242982 /nfs/dbraw/zinc/24/29/82/383242982.db2.gz OQGBKDIYEBBUNY-UHFFFAOYSA-N 1 2 262.309 2.589 20 5 CFBDLO Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000567986444 383340249 /nfs/dbraw/zinc/34/02/49/383340249.db2.gz SAUFWGDLUAMDGM-NSHDSACASA-N 1 2 288.307 2.690 20 5 CFBDLO COc1cc(C)[nH+]c(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000339741511 383303944 /nfs/dbraw/zinc/30/39/44/383303944.db2.gz CMQKEZRLIYOTMI-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCC2)O1 ZINC000567810792 383318733 /nfs/dbraw/zinc/31/87/33/383318733.db2.gz HQSKJTNZDNJQFN-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCC2)O1 ZINC000567810792 383318734 /nfs/dbraw/zinc/31/87/34/383318734.db2.gz HQSKJTNZDNJQFN-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO CC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255632765 383485235 /nfs/dbraw/zinc/48/52/35/383485235.db2.gz AXEFDWSDDWZFFN-VSKVDJIOSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255632765 383485238 /nfs/dbraw/zinc/48/52/38/383485238.db2.gz AXEFDWSDDWZFFN-VSKVDJIOSA-N 1 2 276.336 2.719 20 5 CFBDLO Cc1ccnc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450827484 383507784 /nfs/dbraw/zinc/50/77/84/383507784.db2.gz IADIZCRIHBSROA-NXEZZACHSA-N 1 2 273.296 2.613 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000450828655 383507904 /nfs/dbraw/zinc/50/79/04/383507904.db2.gz KVCRIZCJQJGSBG-SECBINFHSA-N 1 2 292.343 2.509 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000450831004 383510422 /nfs/dbraw/zinc/51/04/22/383510422.db2.gz PAXPBRZGORCOQI-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO Cc1cc(NC[C@H]2C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489161076 383598331 /nfs/dbraw/zinc/59/83/31/383598331.db2.gz HSCVCVDIKRFQQO-GXFFZTMASA-N 1 2 298.346 2.850 20 5 CFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489504675 383625854 /nfs/dbraw/zinc/62/58/54/383625854.db2.gz YLYBHNVXHFTJIJ-LBPRGKRZSA-N 1 2 252.289 2.964 20 5 CFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489504675 383625856 /nfs/dbraw/zinc/62/58/56/383625856.db2.gz YLYBHNVXHFTJIJ-LBPRGKRZSA-N 1 2 252.289 2.964 20 5 CFBDLO CCc1nnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289419202 197338521 /nfs/dbraw/zinc/33/85/21/197338521.db2.gz BGJLCTODRZKLLJ-UHFFFAOYSA-N 1 2 292.364 2.607 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278392363 384555960 /nfs/dbraw/zinc/55/59/60/384555960.db2.gz MGGHQFNQJXHKRK-UHFFFAOYSA-N 1 2 298.346 2.921 20 5 CFBDLO Cc1nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000268425527 384618315 /nfs/dbraw/zinc/61/83/15/384618315.db2.gz AALNOPTXJRQJMZ-LBPRGKRZSA-N 1 2 287.323 2.753 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000279674563 384717716 /nfs/dbraw/zinc/71/77/16/384717716.db2.gz DSFUSLRTNZFGIG-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000279674563 384717724 /nfs/dbraw/zinc/71/77/24/384717724.db2.gz DSFUSLRTNZFGIG-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO CCC(=O)c1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000280748578 385139831 /nfs/dbraw/zinc/13/98/31/385139831.db2.gz PGPHHYYXRINFAT-UHFFFAOYSA-N 1 2 288.307 2.533 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351963554 285160593 /nfs/dbraw/zinc/16/05/93/285160593.db2.gz FPUZJGRRIMDUHT-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351963554 285160605 /nfs/dbraw/zinc/16/06/05/285160605.db2.gz FPUZJGRRIMDUHT-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000271985460 385419091 /nfs/dbraw/zinc/41/90/91/385419091.db2.gz PBEANQFGOAFNJG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000271985460 385419095 /nfs/dbraw/zinc/41/90/95/385419095.db2.gz PBEANQFGOAFNJG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC000283082166 385433352 /nfs/dbraw/zinc/43/33/52/385433352.db2.gz KSQMPLHJFHMVIM-ZETCQYMHSA-N 1 2 296.327 2.745 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000272303527 385503937 /nfs/dbraw/zinc/50/39/37/385503937.db2.gz NVKLEEFVORCWMU-CYBMUJFWSA-N 1 2 294.282 2.804 20 5 CFBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000264062651 131388898 /nfs/dbraw/zinc/38/88/98/131388898.db2.gz KTASDDLOMQCBQN-GFCCVEGCSA-N 1 2 292.364 2.727 20 5 CFBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000264062651 131388900 /nfs/dbraw/zinc/38/89/00/131388900.db2.gz KTASDDLOMQCBQN-GFCCVEGCSA-N 1 2 292.364 2.727 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1 ZINC000268949327 132092623 /nfs/dbraw/zinc/09/26/23/132092623.db2.gz HRSHMBXWUJWMOA-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO CN(C)c1ccc(NCc2csc([N+](=O)[O-])c2)c[nH+]1 ZINC000037562855 393532682 /nfs/dbraw/zinc/53/26/82/393532682.db2.gz RXDARRDKZUMKSG-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193848408 393665776 /nfs/dbraw/zinc/66/57/76/393665776.db2.gz MFFMXSCKNYEZNL-ZDUSSCGKSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193848408 393665783 /nfs/dbraw/zinc/66/57/83/393665783.db2.gz MFFMXSCKNYEZNL-ZDUSSCGKSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c(F)c1 ZINC000411869854 393756903 /nfs/dbraw/zinc/75/69/03/393756903.db2.gz FQRSMKHAPJOKEP-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c(F)c1 ZINC000411869854 393756907 /nfs/dbraw/zinc/75/69/07/393756907.db2.gz FQRSMKHAPJOKEP-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424320030 393826923 /nfs/dbraw/zinc/82/69/23/393826923.db2.gz IPASNMYXAWDFMY-KBPBESRZSA-N 1 2 298.346 2.560 20 5 CFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccnc1 ZINC000132496958 394156341 /nfs/dbraw/zinc/15/63/41/394156341.db2.gz VBFBYCRTMDILBO-UHFFFAOYSA-N 1 2 298.302 2.763 20 5 CFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccnc1 ZINC000132496958 394156345 /nfs/dbraw/zinc/15/63/45/394156345.db2.gz VBFBYCRTMDILBO-UHFFFAOYSA-N 1 2 298.302 2.763 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)n1 ZINC000541006099 394662900 /nfs/dbraw/zinc/66/29/00/394662900.db2.gz XBPSLPFQDWVFCM-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO C[C@H](c1cnccn1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344494 394860110 /nfs/dbraw/zinc/86/01/10/394860110.db2.gz ZMEQHZLEFMVYRS-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1cnccn1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344494 394860114 /nfs/dbraw/zinc/86/01/14/394860114.db2.gz ZMEQHZLEFMVYRS-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]23CCOC3)c(Cl)c1 ZINC000421009608 397571304 /nfs/dbraw/zinc/57/13/04/397571304.db2.gz BXJDQLHSSSNPEQ-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]23CCOC3)c(Cl)c1 ZINC000421009608 397571307 /nfs/dbraw/zinc/57/13/07/397571307.db2.gz BXJDQLHSSSNPEQ-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000345350558 162233206 /nfs/dbraw/zinc/23/32/06/162233206.db2.gz HVLUYBYGFXLPMH-GXFFZTMASA-N 1 2 272.308 2.587 20 5 CFBDLO COc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352997348 163284964 /nfs/dbraw/zinc/28/49/64/163284964.db2.gz LYDMEHWGLAMLOY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352997348 163284965 /nfs/dbraw/zinc/28/49/65/163284965.db2.gz LYDMEHWGLAMLOY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)F)CC1 ZINC000266526950 287152622 /nfs/dbraw/zinc/15/26/22/287152622.db2.gz KROWFNDQIDKHMZ-NSHDSACASA-N 1 2 299.321 2.539 20 5 CFBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350358387 287154368 /nfs/dbraw/zinc/15/43/68/287154368.db2.gz QHZODCZVVCUIKZ-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350358387 287154369 /nfs/dbraw/zinc/15/43/69/287154369.db2.gz QHZODCZVVCUIKZ-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO CC(C)[C@H](Nc1ncc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000285629378 196349277 /nfs/dbraw/zinc/34/92/77/196349277.db2.gz NEIMNZDPTVVUSX-QMMMGPOBSA-N 1 2 267.314 2.584 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2nccs2)cc1[N+](=O)[O-] ZINC000040444021 174264362 /nfs/dbraw/zinc/26/43/62/174264362.db2.gz DXNRSMRDTQSSCX-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000044985308 175283871 /nfs/dbraw/zinc/28/38/71/175283871.db2.gz KBGIURODTCQOKZ-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072874831 176438066 /nfs/dbraw/zinc/43/80/66/176438066.db2.gz CLFXWHWTIXMQOF-SECBINFHSA-N 1 2 297.742 2.671 20 5 CFBDLO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072874831 176438067 /nfs/dbraw/zinc/43/80/67/176438067.db2.gz CLFXWHWTIXMQOF-SECBINFHSA-N 1 2 297.742 2.671 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349231276 278379101 /nfs/dbraw/zinc/37/91/01/278379101.db2.gz ACMNSBQPEMHADX-NXEZZACHSA-N 1 2 261.281 2.995 20 5 CFBDLO COC1(C)C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459580089 281269543 /nfs/dbraw/zinc/26/95/43/281269543.db2.gz JRNKRNMGRVORSA-GHXNOFRVSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448863 281274622 /nfs/dbraw/zinc/27/46/22/281274622.db2.gz HHICJFKGFDRJTH-MFKMUULPSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448863 281274623 /nfs/dbraw/zinc/27/46/23/281274623.db2.gz HHICJFKGFDRJTH-MFKMUULPSA-N 1 2 264.325 2.921 20 5 CFBDLO COC(=O)C1([N@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000159182056 522837057 /nfs/dbraw/zinc/83/70/57/522837057.db2.gz XEQZCNLRJYLBBN-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C1([N@@H+](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000159182056 522837061 /nfs/dbraw/zinc/83/70/61/522837061.db2.gz XEQZCNLRJYLBBN-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050352173 524961125 /nfs/dbraw/zinc/96/11/25/524961125.db2.gz AAIZPQQSAKLTCH-VIFPVBQESA-N 1 2 280.715 2.945 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000173604032 526056452 /nfs/dbraw/zinc/05/64/52/526056452.db2.gz ZEHZMIHZVPROCR-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccco2)c(F)c1 ZINC000310940031 527351811 /nfs/dbraw/zinc/35/18/11/527351811.db2.gz KXHAIYORYLEOJZ-UHFFFAOYSA-N 1 2 250.229 2.617 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)cn1 ZINC000361058337 527366850 /nfs/dbraw/zinc/36/68/50/527366850.db2.gz BTIAYXLANBMMMJ-UHFFFAOYSA-N 1 2 295.302 2.992 20 5 CFBDLO [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157386388 527377993 /nfs/dbraw/zinc/37/79/93/527377993.db2.gz KHKJECDOFVEWJM-CVEARBPZSA-N 1 2 283.331 2.829 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414466420 527501545 /nfs/dbraw/zinc/50/15/45/527501545.db2.gz BOVRNPPVINCNSV-XCHKQJEOSA-N 1 2 294.326 2.668 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](CF)C1 ZINC000414466420 527501547 /nfs/dbraw/zinc/50/15/47/527501547.db2.gz BOVRNPPVINCNSV-XCHKQJEOSA-N 1 2 294.326 2.668 20 5 CFBDLO CC1(C)[C@@H](O)C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413253422 527841096 /nfs/dbraw/zinc/84/10/96/527841096.db2.gz UVRIWTKPCPGLJX-STQMWFEESA-N 1 2 287.319 2.714 20 5 CFBDLO CCC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413136728 528262697 /nfs/dbraw/zinc/26/26/97/528262697.db2.gz LGVMQOLZMUJVJL-LBPRGKRZSA-N 1 2 275.308 2.716 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634524 535842152 /nfs/dbraw/zinc/84/21/52/535842152.db2.gz HWFAUGJONAIITG-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505634524 535842158 /nfs/dbraw/zinc/84/21/58/535842158.db2.gz HWFAUGJONAIITG-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO C[C@H]1COCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385257 574092566 /nfs/dbraw/zinc/09/25/66/574092566.db2.gz BUTDBNQRQALVHI-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385257 574092568 /nfs/dbraw/zinc/09/25/68/574092568.db2.gz BUTDBNQRQALVHI-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2[nH+]ccn2c1 ZINC000731906976 574133357 /nfs/dbraw/zinc/13/33/57/574133357.db2.gz AMSQVLAGYRFABA-UHFFFAOYSA-N 1 2 297.270 2.600 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000755150281 574142737 /nfs/dbraw/zinc/14/27/37/574142737.db2.gz KNLWEFLATHPMPI-ZETCQYMHSA-N 1 2 296.714 2.790 20 5 CFBDLO Cc1nc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC000742391701 574327015 /nfs/dbraw/zinc/32/70/15/574327015.db2.gz DPZLYFLOGXUMMO-UHFFFAOYSA-N 1 2 292.726 2.983 20 5 CFBDLO CCC1(C)C[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894841743 619480192 /nfs/dbraw/zinc/48/01/92/619480192.db2.gz ZESHTRRGGGFIGE-UHFFFAOYSA-N 1 2 280.324 2.541 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC(Cc3ccoc3)C2)cs1 ZINC000898160453 620340759 /nfs/dbraw/zinc/34/07/59/620340759.db2.gz GGXLIUWLFIVPAC-UHFFFAOYSA-N 1 2 278.333 2.924 20 5 CFBDLO Cc1nn(C[NH+]2CCC(F)(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000902406061 621055178 /nfs/dbraw/zinc/05/51/78/621055178.db2.gz KLJGYAKGWHIDHP-UHFFFAOYSA-N 1 2 296.346 2.580 20 5 CFBDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000904004079 621504758 /nfs/dbraw/zinc/50/47/58/621504758.db2.gz OPAPBNMZJMIUOW-ZDUSSCGKSA-N 1 2 296.298 2.512 20 5 CFBDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000904004079 621504759 /nfs/dbraw/zinc/50/47/59/621504759.db2.gz OPAPBNMZJMIUOW-ZDUSSCGKSA-N 1 2 296.298 2.512 20 5 CFBDLO Cc1c(C[NH2+][C@@H](c2ncccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000922577953 626314898 /nfs/dbraw/zinc/31/48/98/626314898.db2.gz WRYZLWVUWKTQBW-OAHLLOKOSA-N 1 2 298.346 2.934 20 5 CFBDLO Cc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1[N+](=O)[O-] ZINC000922581333 626316583 /nfs/dbraw/zinc/31/65/83/626316583.db2.gz HYPLMCDRFNPUDR-HNNXBMFYSA-N 1 2 298.346 2.934 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839193119 626530975 /nfs/dbraw/zinc/53/09/75/626530975.db2.gz YPXGCHICCKAJMX-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ncn1 ZINC000756991818 626543123 /nfs/dbraw/zinc/54/31/23/626543123.db2.gz YAXUAMCZLWSULH-UHFFFAOYSA-N 1 2 292.726 2.636 20 5 CFBDLO CC(C)CC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000760398082 626742745 /nfs/dbraw/zinc/74/27/45/626742745.db2.gz IHNFFDZGCNSCPC-UHFFFAOYSA-N 1 2 266.345 2.507 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000778954473 628341475 /nfs/dbraw/zinc/34/14/75/628341475.db2.gz WZOJUKLBZRPWKB-CHWSQXEVSA-N 1 2 277.368 2.600 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000778954473 628341479 /nfs/dbraw/zinc/34/14/79/628341479.db2.gz WZOJUKLBZRPWKB-CHWSQXEVSA-N 1 2 277.368 2.600 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000779889302 628416401 /nfs/dbraw/zinc/41/64/01/628416401.db2.gz PLMCTRRNNMVLRL-HVHJFMEUSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000779889302 628416403 /nfs/dbraw/zinc/41/64/03/628416403.db2.gz PLMCTRRNNMVLRL-HVHJFMEUSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000779888503 628416446 /nfs/dbraw/zinc/41/64/46/628416446.db2.gz MAGQGRMLYWODQG-WHLNPGIBSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000779888503 628416447 /nfs/dbraw/zinc/41/64/47/628416447.db2.gz MAGQGRMLYWODQG-WHLNPGIBSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000789539135 629164173 /nfs/dbraw/zinc/16/41/73/629164173.db2.gz FDSFJAIPQLUXCT-UHFFFAOYSA-N 1 2 284.319 2.538 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC000789539135 629164175 /nfs/dbraw/zinc/16/41/75/629164175.db2.gz FDSFJAIPQLUXCT-UHFFFAOYSA-N 1 2 284.319 2.538 20 5 CFBDLO Cc1nn(C[NH+]2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000853526910 635028398 /nfs/dbraw/zinc/02/83/98/635028398.db2.gz CJWXMRMWQCVEDS-UHFFFAOYSA-N 1 2 290.323 2.530 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050979 641585289 /nfs/dbraw/zinc/58/52/89/641585289.db2.gz GQIQTVICQGVGBU-DTWKUNHWSA-N 1 2 278.287 2.869 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878879143 644059101 /nfs/dbraw/zinc/05/91/01/644059101.db2.gz RZEUIGFPGJJSHO-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878879143 644059105 /nfs/dbraw/zinc/05/91/05/644059105.db2.gz RZEUIGFPGJJSHO-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886166802 646904160 /nfs/dbraw/zinc/90/41/60/646904160.db2.gz SGWRLJWEMKFXQH-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc2c(c1)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000886166802 646904161 /nfs/dbraw/zinc/90/41/61/646904161.db2.gz SGWRLJWEMKFXQH-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1noc(C[N@@H+]2CCSC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592783 649459175 /nfs/dbraw/zinc/45/91/75/649459175.db2.gz QRLIKOKMMLIXPL-LLVKDONJSA-N 1 2 299.396 2.855 20 5 CFBDLO Cc1noc(C[N@H+]2CCSC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592783 649459176 /nfs/dbraw/zinc/45/91/76/649459176.db2.gz QRLIKOKMMLIXPL-LLVKDONJSA-N 1 2 299.396 2.855 20 5 CFBDLO Nc1cc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)cc[nH+]1 ZINC001167614458 770990238 /nfs/dbraw/zinc/99/02/38/770990238.db2.gz SDOGATWVVIVBTO-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO Nc1cc(CNc2nccc3c2cccc3[N+](=O)[O-])cc[nH+]1 ZINC001167614698 770990519 /nfs/dbraw/zinc/99/05/19/770990519.db2.gz OODYKHFPRQFTOA-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO C[C@@H](Oc1cc[nH+]cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225291380 775395332 /nfs/dbraw/zinc/39/53/32/775395332.db2.gz UDCRWJFDENZJGR-SECBINFHSA-N 1 2 288.259 2.859 20 5 CFBDLO CC[NH+]1CC(Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227210393 776139256 /nfs/dbraw/zinc/13/92/56/776139256.db2.gz HCRPDSSNMZMONW-UHFFFAOYSA-N 1 2 272.304 2.831 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230872320 777078450 /nfs/dbraw/zinc/07/84/50/777078450.db2.gz LYIUITWADRIBDR-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(CC4(F)F)C3)c2c1 ZINC000594590339 349453044 /nfs/dbraw/zinc/45/30/44/349453044.db2.gz XPSZJIMYIHNXNR-UHFFFAOYSA-N 1 2 291.257 2.988 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(CC2(F)F)C1 ZINC000594608550 349461583 /nfs/dbraw/zinc/46/15/83/349461583.db2.gz BBUCLANWCOAZNU-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC3(F)F)C2)c(F)c1 ZINC000594609053 349461684 /nfs/dbraw/zinc/46/16/84/349461684.db2.gz NMLLILMYOHESBT-UHFFFAOYSA-N 1 2 272.226 2.575 20 5 CFBDLO Cc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000595413719 349619170 /nfs/dbraw/zinc/61/91/70/349619170.db2.gz GEYMQBDHMQTNRH-VIFPVBQESA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000595568415 349663042 /nfs/dbraw/zinc/66/30/42/349663042.db2.gz OBDDKPSURPBDHD-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000595568415 349663045 /nfs/dbraw/zinc/66/30/45/349663045.db2.gz OBDDKPSURPBDHD-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cnc[nH]1 ZINC000595593676 349667731 /nfs/dbraw/zinc/66/77/31/349667731.db2.gz YBVDOBMPQKRQTP-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cnc[nH]1 ZINC000595593676 349667734 /nfs/dbraw/zinc/66/77/34/349667734.db2.gz YBVDOBMPQKRQTP-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1c[nH]cn1 ZINC000595593676 349667742 /nfs/dbraw/zinc/66/77/42/349667742.db2.gz YBVDOBMPQKRQTP-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1c[nH]cn1 ZINC000595593676 349667748 /nfs/dbraw/zinc/66/77/48/349667748.db2.gz YBVDOBMPQKRQTP-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000595616330 349677208 /nfs/dbraw/zinc/67/72/08/349677208.db2.gz AZTVFSFMNDBCAV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000595616330 349677210 /nfs/dbraw/zinc/67/72/10/349677210.db2.gz AZTVFSFMNDBCAV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595617684 349678635 /nfs/dbraw/zinc/67/86/35/349678635.db2.gz IOECBKUBBNBAOG-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595617684 349678643 /nfs/dbraw/zinc/67/86/43/349678643.db2.gz IOECBKUBBNBAOG-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cscn1 ZINC000595667252 349694593 /nfs/dbraw/zinc/69/45/93/349694593.db2.gz DZVHVMXJNRSLOT-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755776 349723894 /nfs/dbraw/zinc/72/38/94/349723894.db2.gz QDYHPTPIYTVAOM-LLVKDONJSA-N 1 2 282.315 2.872 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755776 349723899 /nfs/dbraw/zinc/72/38/99/349723899.db2.gz QDYHPTPIYTVAOM-LLVKDONJSA-N 1 2 282.315 2.872 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907622 349766729 /nfs/dbraw/zinc/76/67/29/349766729.db2.gz CFWLHHPLUMFAPZ-LLVKDONJSA-N 1 2 264.325 2.778 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907622 349766733 /nfs/dbraw/zinc/76/67/33/349766733.db2.gz CFWLHHPLUMFAPZ-LLVKDONJSA-N 1 2 264.325 2.778 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ncccc1[N+](=O)[O-] ZINC000295080030 199334447 /nfs/dbraw/zinc/33/44/47/199334447.db2.gz XPMCJLJKTPBCTG-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]4COC[C@H]4C3)c2c1 ZINC000596526416 349930491 /nfs/dbraw/zinc/93/04/91/349930491.db2.gz DQKGZHNAJGJQSS-QWHCGFSZSA-N 1 2 299.330 2.616 20 5 CFBDLO Cc1ncc(-c2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000596627748 349960984 /nfs/dbraw/zinc/96/09/84/349960984.db2.gz HAGGVCZNMRNVMM-UHFFFAOYSA-N 1 2 284.319 2.960 20 5 CFBDLO O=[N+]([O-])c1cnccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000066797641 346779987 /nfs/dbraw/zinc/77/99/87/346779987.db2.gz CUTGXACAHFXEIS-UHFFFAOYSA-N 1 2 285.307 2.729 20 5 CFBDLO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])nc3)[nH+]c2c1 ZINC000079860969 347329005 /nfs/dbraw/zinc/32/90/05/347329005.db2.gz XJSWXYNZYIKMOM-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900222 347602189 /nfs/dbraw/zinc/60/21/89/347602189.db2.gz HCTQQNUZJUWRSC-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]([N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900222 347602193 /nfs/dbraw/zinc/60/21/93/347602193.db2.gz HCTQQNUZJUWRSC-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000093480766 347674976 /nfs/dbraw/zinc/67/49/76/347674976.db2.gz LPKMGJAQMIWKDS-QWRGUYRKSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000093480766 347674978 /nfs/dbraw/zinc/67/49/78/347674978.db2.gz LPKMGJAQMIWKDS-QWRGUYRKSA-N 1 2 264.325 2.778 20 5 CFBDLO CC[N@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093338631 347670465 /nfs/dbraw/zinc/67/04/65/347670465.db2.gz HDSLMGCLYKUQLD-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO CC[N@@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093338631 347670468 /nfs/dbraw/zinc/67/04/68/347670468.db2.gz HDSLMGCLYKUQLD-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000156428693 347994471 /nfs/dbraw/zinc/99/44/71/347994471.db2.gz URESIBAJQJINPX-MRVPVSSYSA-N 1 2 264.260 2.641 20 5 CFBDLO COc1ccc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000234980955 348223747 /nfs/dbraw/zinc/22/37/47/348223747.db2.gz XNRVDBDGNQLOGB-UHFFFAOYSA-N 1 2 273.292 2.653 20 5 CFBDLO C[C@H](F)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413297472 233048692 /nfs/dbraw/zinc/04/86/92/233048692.db2.gz LOCFSJFCIUIPHU-VIFPVBQESA-N 1 2 263.272 2.725 20 5 CFBDLO CCc1cc(N)nc(SCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000584700478 348706224 /nfs/dbraw/zinc/70/62/24/348706224.db2.gz VKOBAHXYUSSLDX-UHFFFAOYSA-N 1 2 290.348 2.652 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000585729237 348741307 /nfs/dbraw/zinc/74/13/07/348741307.db2.gz VROBJWRAALVELN-LLVKDONJSA-N 1 2 286.335 2.852 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000591150291 348993200 /nfs/dbraw/zinc/99/32/00/348993200.db2.gz WGQAOPJTELZJDO-LLVKDONJSA-N 1 2 291.286 2.584 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593064493 349199500 /nfs/dbraw/zinc/19/95/00/349199500.db2.gz ZHQKNLCAEZDNOH-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593064493 349199503 /nfs/dbraw/zinc/19/95/03/349199503.db2.gz ZHQKNLCAEZDNOH-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063285 349199708 /nfs/dbraw/zinc/19/97/08/349199708.db2.gz LFSXCKXKYGSGLX-BXUZGUMPSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H](C)CO1 ZINC000593063285 349199713 /nfs/dbraw/zinc/19/97/13/349199713.db2.gz LFSXCKXKYGSGLX-BXUZGUMPSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040519 349360057 /nfs/dbraw/zinc/36/00/57/349360057.db2.gz GNBZMXBXPRPJLQ-DZGCQCFKSA-N 1 2 294.351 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cscn1 ZINC000594493037 349429003 /nfs/dbraw/zinc/42/90/03/349429003.db2.gz DQTUTAKAAAJPRN-GFCCVEGCSA-N 1 2 275.333 2.828 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1csnn1 ZINC000414533168 233284247 /nfs/dbraw/zinc/28/42/47/233284247.db2.gz BDVQSBPOYHRQGB-VIFPVBQESA-N 1 2 278.337 2.606 20 5 CFBDLO CC(C)[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042916 350363886 /nfs/dbraw/zinc/36/38/86/350363886.db2.gz JJYGINULDPOWHO-HNNXBMFYSA-N 1 2 289.335 2.962 20 5 CFBDLO CC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])COC1 ZINC000599044323 350364611 /nfs/dbraw/zinc/36/46/11/350364611.db2.gz ONVSSFHGMJKTJQ-UHFFFAOYSA-N 1 2 273.292 2.591 20 5 CFBDLO C[C@H](C[C@H](C)O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067085 350368757 /nfs/dbraw/zinc/36/87/57/350368757.db2.gz XTOQSSHQAHURLZ-ZJUUUORDSA-N 1 2 275.308 2.714 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000599055405 350366537 /nfs/dbraw/zinc/36/65/37/350366537.db2.gz QGTYNAIAHJRTGD-TXEJJXNPSA-N 1 2 285.303 2.511 20 5 CFBDLO C[C@@H](CCO)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599087183 350374010 /nfs/dbraw/zinc/37/40/10/350374010.db2.gz XQHWPFLVOCSESR-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000107292635 186167485 /nfs/dbraw/zinc/16/74/85/186167485.db2.gz RRAGBKPFTXRLLR-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1c[nH]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]1 ZINC000600113513 350512766 /nfs/dbraw/zinc/51/27/66/350512766.db2.gz ZQFVDTARIPIJHS-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1ccc(CNc2c[nH+]cc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000601063479 350656907 /nfs/dbraw/zinc/65/69/07/350656907.db2.gz BQPSPWBMZCSIOA-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CC(C)(CNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601197426 350694496 /nfs/dbraw/zinc/69/44/96/350694496.db2.gz AGWLTXKRZDONOF-UHFFFAOYSA-N 1 2 260.297 2.639 20 5 CFBDLO Cn1cc(C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])n1 ZINC000602439453 350883863 /nfs/dbraw/zinc/88/38/63/350883863.db2.gz GBQOGQCFLOZURR-UHFFFAOYSA-N 1 2 292.364 2.554 20 5 CFBDLO Cn1cc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])n1 ZINC000602439453 350883865 /nfs/dbraw/zinc/88/38/65/350883865.db2.gz GBQOGQCFLOZURR-UHFFFAOYSA-N 1 2 292.364 2.554 20 5 CFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1Cl ZINC000602782627 351023406 /nfs/dbraw/zinc/02/34/06/351023406.db2.gz IPODBBBBRSCOPS-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c(F)c1 ZINC000602883897 351057230 /nfs/dbraw/zinc/05/72/30/351057230.db2.gz YSKWHFQJXJOSAY-AWEZNQCLSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c(F)c1 ZINC000602883897 351057234 /nfs/dbraw/zinc/05/72/34/351057234.db2.gz YSKWHFQJXJOSAY-AWEZNQCLSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1cccn2cc(CCNc3cccnc3[N+](=O)[O-])[nH+]c12 ZINC000610468922 351567959 /nfs/dbraw/zinc/56/79/59/351567959.db2.gz WRAPDCPZWACCSQ-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502204 351699041 /nfs/dbraw/zinc/69/90/41/351699041.db2.gz PHJJZLGGSCVZSV-SKDRFNHKSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1F ZINC000611502204 351699043 /nfs/dbraw/zinc/69/90/43/351699043.db2.gz PHJJZLGGSCVZSV-SKDRFNHKSA-N 1 2 270.279 2.914 20 5 CFBDLO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000122556190 187038275 /nfs/dbraw/zinc/03/82/75/187038275.db2.gz YOVWPEDJOVNYJK-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO Cn1cc[nH+]c1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000124017598 187118544 /nfs/dbraw/zinc/11/85/44/187118544.db2.gz RTBWLGOXDIKVPT-UHFFFAOYSA-N 1 2 298.249 2.542 20 5 CFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC=C(F)C1 ZINC000271572609 191221166 /nfs/dbraw/zinc/22/11/66/191221166.db2.gz BZWKHHBZKLMSMD-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC=C(F)C1 ZINC000271572609 191221170 /nfs/dbraw/zinc/22/11/70/191221170.db2.gz BZWKHHBZKLMSMD-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000619815319 353067404 /nfs/dbraw/zinc/06/74/04/353067404.db2.gz MKIHBKAEUKIGBP-QMMMGPOBSA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000619815319 353067406 /nfs/dbraw/zinc/06/74/06/353067406.db2.gz MKIHBKAEUKIGBP-QMMMGPOBSA-N 1 2 290.241 2.547 20 5 CFBDLO CCc1[nH+]c(C(C)C)ccc1Cn1nccc1[N+](=O)[O-] ZINC000292768332 198405068 /nfs/dbraw/zinc/40/50/68/198405068.db2.gz XHJCZDKMMKMMHS-UHFFFAOYSA-N 1 2 274.324 2.920 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788579 189219953 /nfs/dbraw/zinc/21/99/53/189219953.db2.gz KMPVCQSLAKCQRN-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788579 189219954 /nfs/dbraw/zinc/21/99/54/189219954.db2.gz KMPVCQSLAKCQRN-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO Cc1[nH+]c2ccccn2c1COc1ncc(C)cc1[N+](=O)[O-] ZINC000426585689 239242263 /nfs/dbraw/zinc/24/22/63/239242263.db2.gz GTROMSFSXDHTCN-UHFFFAOYSA-N 1 2 298.302 2.833 20 5 CFBDLO Cc1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000275387662 193018437 /nfs/dbraw/zinc/01/84/37/193018437.db2.gz CEASUZMHCPCMOO-ZDUSSCGKSA-N 1 2 298.346 2.989 20 5 CFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449563143 242035348 /nfs/dbraw/zinc/03/53/48/242035348.db2.gz RTOOJQUSDPIDIK-SNVBAGLBSA-N 1 2 292.314 2.801 20 5 CFBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])ccc2C)c[nH+]1 ZINC000456865562 244310707 /nfs/dbraw/zinc/31/07/07/244310707.db2.gz TXAKVUKCJAWLSO-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000459623378 245247508 /nfs/dbraw/zinc/24/75/08/245247508.db2.gz RNLPGIBVPVSDPH-UHFFFAOYSA-N 1 2 288.303 2.759 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042375590 372915802 /nfs/dbraw/zinc/91/58/02/372915802.db2.gz PWDIBVPOVYFKAA-SECBINFHSA-N 1 2 280.715 2.945 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000048971992 373241762 /nfs/dbraw/zinc/24/17/62/373241762.db2.gz IWQSKEZTMXDPOJ-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000048971992 373241770 /nfs/dbraw/zinc/24/17/70/373241770.db2.gz IWQSKEZTMXDPOJ-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1F ZINC000051924225 373421091 /nfs/dbraw/zinc/42/10/91/373421091.db2.gz NCROKBHJYATBNA-UHFFFAOYSA-N 1 2 264.260 2.562 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCSCC1 ZINC000264185079 383705898 /nfs/dbraw/zinc/70/58/98/383705898.db2.gz KXNFNXROLMUWHN-UHFFFAOYSA-N 1 2 296.392 2.931 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cs1 ZINC000102409620 375672525 /nfs/dbraw/zinc/67/25/25/375672525.db2.gz IZBWRDBAYBDFTA-GFCCVEGCSA-N 1 2 292.364 2.690 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cs1 ZINC000102409620 375672532 /nfs/dbraw/zinc/67/25/32/375672532.db2.gz IZBWRDBAYBDFTA-GFCCVEGCSA-N 1 2 292.364 2.690 20 5 CFBDLO Cc1nccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000507244263 247170399 /nfs/dbraw/zinc/17/03/99/247170399.db2.gz QVXAYGNLMFEGAM-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000507244263 247170401 /nfs/dbraw/zinc/17/04/01/247170401.db2.gz QVXAYGNLMFEGAM-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000114748842 376085913 /nfs/dbraw/zinc/08/59/13/376085913.db2.gz IUPSSZJNUHWCGV-VHSXEESVSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000129690386 377463159 /nfs/dbraw/zinc/46/31/59/377463159.db2.gz DWHTXIHZUHELAK-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1c(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000129690386 377463164 /nfs/dbraw/zinc/46/31/64/377463164.db2.gz DWHTXIHZUHELAK-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000132608972 377858173 /nfs/dbraw/zinc/85/81/73/377858173.db2.gz TWTBYNKZZXJYGW-AWEZNQCLSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000132608972 377858184 /nfs/dbraw/zinc/85/81/84/377858184.db2.gz TWTBYNKZZXJYGW-AWEZNQCLSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1[N+](=O)[O-] ZINC000148683186 378259622 /nfs/dbraw/zinc/25/96/22/378259622.db2.gz OQYSYYDJGZNKKS-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330503455 378573000 /nfs/dbraw/zinc/57/30/00/378573000.db2.gz CQTSMUHNDGPCNY-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330503455 378573005 /nfs/dbraw/zinc/57/30/05/378573005.db2.gz CQTSMUHNDGPCNY-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO COc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331114108 378635870 /nfs/dbraw/zinc/63/58/70/378635870.db2.gz MJWASNPFKPPRRH-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331114108 378635879 /nfs/dbraw/zinc/63/58/79/378635879.db2.gz MJWASNPFKPPRRH-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO CCn1cc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000451888339 383731952 /nfs/dbraw/zinc/73/19/52/383731952.db2.gz ILWVHESQQNOVEU-SNVBAGLBSA-N 1 2 292.314 2.801 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278529180 194029352 /nfs/dbraw/zinc/02/93/52/194029352.db2.gz DWGBTORYOGXRPR-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278529180 194029354 /nfs/dbraw/zinc/02/93/54/194029354.db2.gz DWGBTORYOGXRPR-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172595289 379603919 /nfs/dbraw/zinc/60/39/19/379603919.db2.gz GCCSSNYQVUIYEU-QMMMGPOBSA-N 1 2 258.368 2.594 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172595289 379603929 /nfs/dbraw/zinc/60/39/29/379603929.db2.gz GCCSSNYQVUIYEU-QMMMGPOBSA-N 1 2 258.368 2.594 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(C)C)n1 ZINC000178236779 380425300 /nfs/dbraw/zinc/42/53/00/380425300.db2.gz HWCSNLHICVWNBC-UHFFFAOYSA-N 1 2 289.339 2.763 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000178153486 380415017 /nfs/dbraw/zinc/41/50/17/380415017.db2.gz NXIXXNYINOSPNZ-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO Cc1c[nH+]c(CNCc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000341287675 380902591 /nfs/dbraw/zinc/90/25/91/380902591.db2.gz PQZKLIAVUKQORT-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2[nH+]cccc2C)n1 ZINC000295624296 380981362 /nfs/dbraw/zinc/98/13/62/380981362.db2.gz AOMXNIYYVRAPGJ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc[nH+]c1CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000295658821 381001461 /nfs/dbraw/zinc/00/14/61/381001461.db2.gz DUSHJJZUVWONGC-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1cn3ccccc3[nH+]1)CC2 ZINC000182773653 381153331 /nfs/dbraw/zinc/15/33/31/381153331.db2.gz RFCPILXQSWQVDH-UHFFFAOYSA-N 1 2 294.314 2.805 20 5 CFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000291184894 381698968 /nfs/dbraw/zinc/69/89/68/381698968.db2.gz SFDKYPUDVFQRTA-JTQLQIEISA-N 1 2 292.343 2.652 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000362397390 382050473 /nfs/dbraw/zinc/05/04/73/382050473.db2.gz QEWSWDBBRPULPE-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000293307611 382071919 /nfs/dbraw/zinc/07/19/19/382071919.db2.gz FHSBKACUHMGNLF-RKDXNWHRSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000293307611 382071930 /nfs/dbraw/zinc/07/19/30/382071930.db2.gz FHSBKACUHMGNLF-RKDXNWHRSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016337 382131855 /nfs/dbraw/zinc/13/18/55/382131855.db2.gz WPUKABQCVCQCSQ-MRVPVSSYSA-N 1 2 256.252 2.857 20 5 CFBDLO C[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016337 382131864 /nfs/dbraw/zinc/13/18/64/382131864.db2.gz WPUKABQCVCQCSQ-MRVPVSSYSA-N 1 2 256.252 2.857 20 5 CFBDLO C[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016338 382132466 /nfs/dbraw/zinc/13/24/66/382132466.db2.gz WPUKABQCVCQCSQ-QMMMGPOBSA-N 1 2 256.252 2.857 20 5 CFBDLO C[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352016338 382132469 /nfs/dbraw/zinc/13/24/69/382132469.db2.gz WPUKABQCVCQCSQ-QMMMGPOBSA-N 1 2 256.252 2.857 20 5 CFBDLO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000301280308 382135544 /nfs/dbraw/zinc/13/55/44/382135544.db2.gz NYORJTGSBQIGEB-UHFFFAOYSA-N 1 2 293.714 2.848 20 5 CFBDLO Cc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1[N+](=O)[O-] ZINC000357441131 382172500 /nfs/dbraw/zinc/17/25/00/382172500.db2.gz PTDIVSMFISCDEU-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO CC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000357695936 382283480 /nfs/dbraw/zinc/28/34/80/382283480.db2.gz JPKGYCHDVKYZLS-NSHDSACASA-N 1 2 297.318 2.851 20 5 CFBDLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000389450631 382613858 /nfs/dbraw/zinc/61/38/58/382613858.db2.gz SGJPYHCTKRWMKI-QMMMGPOBSA-N 1 2 274.267 2.737 20 5 CFBDLO Cc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000353746118 382623489 /nfs/dbraw/zinc/62/34/89/382623489.db2.gz LFBRNJLICGPZDE-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000353746118 382623491 /nfs/dbraw/zinc/62/34/91/382623491.db2.gz LFBRNJLICGPZDE-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000190312495 382661727 /nfs/dbraw/zinc/66/17/27/382661727.db2.gz TVRDWJLBPMVPKG-UHFFFAOYSA-N 1 2 291.336 2.790 20 5 CFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832126 382681908 /nfs/dbraw/zinc/68/19/08/382681908.db2.gz AEPRYYNIQYNMJH-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832126 382681909 /nfs/dbraw/zinc/68/19/09/382681909.db2.gz AEPRYYNIQYNMJH-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000231639291 382865543 /nfs/dbraw/zinc/86/55/43/382865543.db2.gz YZZXHTAQSOWBKB-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000447852114 383019183 /nfs/dbraw/zinc/01/91/83/383019183.db2.gz YFBKDDSWWNVPTA-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000447852114 383019186 /nfs/dbraw/zinc/01/91/86/383019186.db2.gz YFBKDDSWWNVPTA-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000339026680 383124766 /nfs/dbraw/zinc/12/47/66/383124766.db2.gz NLEHDPHMHTUMDO-OAHLLOKOSA-N 1 2 287.319 2.966 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000339026680 383124768 /nfs/dbraw/zinc/12/47/68/383124768.db2.gz NLEHDPHMHTUMDO-OAHLLOKOSA-N 1 2 287.319 2.966 20 5 CFBDLO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064570 383137428 /nfs/dbraw/zinc/13/74/28/383137428.db2.gz MRTRNIOTNLIQES-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000247976662 383203763 /nfs/dbraw/zinc/20/37/63/383203763.db2.gz HWRDDZKKQBQMAO-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000247976662 383203765 /nfs/dbraw/zinc/20/37/65/383203765.db2.gz HWRDDZKKQBQMAO-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccncc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339143622 383164964 /nfs/dbraw/zinc/16/49/64/383164964.db2.gz GNWACAWRBLQAKI-UHFFFAOYSA-N 1 2 287.319 2.636 20 5 CFBDLO Cc1ccncc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339143622 383164966 /nfs/dbraw/zinc/16/49/66/383164966.db2.gz GNWACAWRBLQAKI-UHFFFAOYSA-N 1 2 287.319 2.636 20 5 CFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000519807885 383237796 /nfs/dbraw/zinc/23/77/96/383237796.db2.gz GJNWRWJETQXQSL-LLVKDONJSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC3(CC3)C2)c1 ZINC000449369058 383242378 /nfs/dbraw/zinc/24/23/78/383242378.db2.gz AFFZDBRXSCFTGC-UHFFFAOYSA-N 1 2 284.262 2.792 20 5 CFBDLO COc1cc(C)[nH+]c(CSc2ccc([N+](=O)[O-])cn2)c1 ZINC000339689435 383288808 /nfs/dbraw/zinc/28/88/08/383288808.db2.gz YLCZDSYTBIMESY-UHFFFAOYSA-N 1 2 291.332 2.994 20 5 CFBDLO CSCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000340576466 383475208 /nfs/dbraw/zinc/47/52/08/383475208.db2.gz HZOKJDDPDKHVGC-UHFFFAOYSA-N 1 2 276.308 2.668 20 5 CFBDLO CSCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000340576466 383475212 /nfs/dbraw/zinc/47/52/12/383475212.db2.gz HZOKJDDPDKHVGC-UHFFFAOYSA-N 1 2 276.308 2.668 20 5 CFBDLO Cc1nonc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000265101186 383832534 /nfs/dbraw/zinc/83/25/34/383832534.db2.gz DYJQQMIVBXHBSW-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1nonc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000265101186 383832543 /nfs/dbraw/zinc/83/25/43/383832543.db2.gz DYJQQMIVBXHBSW-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1occc1C ZINC000266169233 384102548 /nfs/dbraw/zinc/10/25/48/384102548.db2.gz BRRSXRUFSZVUTQ-UHFFFAOYSA-N 1 2 276.292 2.795 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000267017875 384280466 /nfs/dbraw/zinc/28/04/66/384280466.db2.gz JSMBQHUVYUUVPX-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000267017875 384280472 /nfs/dbraw/zinc/28/04/72/384280472.db2.gz JSMBQHUVYUUVPX-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(F)c1 ZINC000267037808 384284086 /nfs/dbraw/zinc/28/40/86/384284086.db2.gz OEMHKYPXNQQZOB-CABCVRRESA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(F)c1 ZINC000267037808 384284092 /nfs/dbraw/zinc/28/40/92/384284092.db2.gz OEMHKYPXNQQZOB-CABCVRRESA-N 1 2 294.326 2.877 20 5 CFBDLO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270373000 385076828 /nfs/dbraw/zinc/07/68/28/385076828.db2.gz UOQNLQDRGSBJTQ-LBPRGKRZSA-N 1 2 289.335 2.574 20 5 CFBDLO CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270373000 385076835 /nfs/dbraw/zinc/07/68/35/385076835.db2.gz UOQNLQDRGSBJTQ-LBPRGKRZSA-N 1 2 289.335 2.574 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000282470252 385320710 /nfs/dbraw/zinc/32/07/10/385320710.db2.gz KQLPTNMIYVRLEG-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000282470252 385320713 /nfs/dbraw/zinc/32/07/13/385320713.db2.gz KQLPTNMIYVRLEG-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])s2)[nH+]1 ZINC000286667811 385681759 /nfs/dbraw/zinc/68/17/59/385681759.db2.gz VWQIQYZYEWWDHO-UHFFFAOYSA-N 1 2 278.337 2.799 20 5 CFBDLO COc1cccc(NCCc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000274680900 385847984 /nfs/dbraw/zinc/84/79/84/385847984.db2.gz IDJRQCOALDJSBW-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000281237057 195162352 /nfs/dbraw/zinc/16/23/52/195162352.db2.gz LKGPKROBQWEUDU-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000281237057 195162354 /nfs/dbraw/zinc/16/23/54/195162354.db2.gz LKGPKROBQWEUDU-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264014022 131379224 /nfs/dbraw/zinc/37/92/24/131379224.db2.gz KAPCYLCTUIEKDQ-ZDUSSCGKSA-N 1 2 292.360 2.822 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264014022 131379225 /nfs/dbraw/zinc/37/92/25/131379225.db2.gz KAPCYLCTUIEKDQ-ZDUSSCGKSA-N 1 2 292.360 2.822 20 5 CFBDLO Cc1cnc([C@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000332542696 393561876 /nfs/dbraw/zinc/56/18/76/393561876.db2.gz LLITVIPGHFISJS-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cnc([C@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000332542696 393561880 /nfs/dbraw/zinc/56/18/80/393561880.db2.gz LLITVIPGHFISJS-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cn1cc[nH+]c1CSc1ccc([N+](=O)[O-])cc1F ZINC000193507578 393654274 /nfs/dbraw/zinc/65/42/74/393654274.db2.gz BWMOXQQXAHZQQU-UHFFFAOYSA-N 1 2 267.285 2.760 20 5 CFBDLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344730711 393903255 /nfs/dbraw/zinc/90/32/55/393903255.db2.gz YPKPSWHCUPZLCX-HIFRSBDPSA-N 1 2 294.351 2.594 20 5 CFBDLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1C ZINC000429262335 393949658 /nfs/dbraw/zinc/94/96/58/393949658.db2.gz UDCFSQPTPFYMBR-UHFFFAOYSA-N 1 2 288.351 2.662 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209525 393969161 /nfs/dbraw/zinc/96/91/61/393969161.db2.gz RJRDZKWGXNFHJQ-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209525 393969162 /nfs/dbraw/zinc/96/91/62/393969162.db2.gz RJRDZKWGXNFHJQ-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000430229970 393970441 /nfs/dbraw/zinc/97/04/41/393970441.db2.gz WYFNOHRBNOIXSJ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000430229970 393970443 /nfs/dbraw/zinc/97/04/43/393970443.db2.gz WYFNOHRBNOIXSJ-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229431 393970447 /nfs/dbraw/zinc/97/04/47/393970447.db2.gz VJXCSOVIRKDMHS-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229431 393970449 /nfs/dbraw/zinc/97/04/49/393970449.db2.gz VJXCSOVIRKDMHS-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432305336 394011708 /nfs/dbraw/zinc/01/17/08/394011708.db2.gz AZHNMVRCRGMREX-UHFFFAOYSA-N 1 2 266.688 2.608 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420957793 394140768 /nfs/dbraw/zinc/14/07/68/394140768.db2.gz ZXTTYLMKDLPJND-OKILXGFUSA-N 1 2 278.352 2.984 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420957793 394140772 /nfs/dbraw/zinc/14/07/72/394140772.db2.gz ZXTTYLMKDLPJND-OKILXGFUSA-N 1 2 278.352 2.984 20 5 CFBDLO CCc1nc(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000291785699 394259564 /nfs/dbraw/zinc/25/95/64/394259564.db2.gz VNQHZIDDSIOCAL-UHFFFAOYSA-N 1 2 275.308 2.743 20 5 CFBDLO Cc1c(Cl)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])nn1C ZINC000421335038 394190046 /nfs/dbraw/zinc/19/00/46/394190046.db2.gz RGSVTFSJQKIIRN-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1cnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450821826 394341036 /nfs/dbraw/zinc/34/10/36/394341036.db2.gz ALHXALOENRPNRT-VHSXEESVSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000494633394 394361230 /nfs/dbraw/zinc/36/12/30/394361230.db2.gz AVEFJZAFDUBQMO-MRVPVSSYSA-N 1 2 280.715 2.822 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnccn1)C1CC1 ZINC000579563962 395097778 /nfs/dbraw/zinc/09/77/78/395097778.db2.gz JBUYBONLVCJEOW-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnccn1)C1CC1 ZINC000579563962 395097781 /nfs/dbraw/zinc/09/77/81/395097781.db2.gz JBUYBONLVCJEOW-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344730712 162110537 /nfs/dbraw/zinc/11/05/37/162110537.db2.gz YPKPSWHCUPZLCX-UKRRQHHQSA-N 1 2 294.351 2.594 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000345350628 162233401 /nfs/dbraw/zinc/23/34/01/162233401.db2.gz IGIJJWQMJVTUQM-JOYOIKCWSA-N 1 2 258.281 2.909 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000352767004 163231206 /nfs/dbraw/zinc/23/12/06/163231206.db2.gz FAJNNXIIMVYBQE-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000352767004 163231209 /nfs/dbraw/zinc/23/12/09/163231209.db2.gz FAJNNXIIMVYBQE-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO CC[C@H]([NH2+][C@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000353338486 163347998 /nfs/dbraw/zinc/34/79/98/163347998.db2.gz UWBWWYIENDFKBU-MFKMUULPSA-N 1 2 289.339 2.525 20 5 CFBDLO Cc1cc(N)nc(SCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000007048499 170264220 /nfs/dbraw/zinc/26/42/20/170264220.db2.gz XGZAMODAHNNFSW-UHFFFAOYSA-N 1 2 276.321 2.568 20 5 CFBDLO CC(C)[C@@H](Nc1ncc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000285629368 196348844 /nfs/dbraw/zinc/34/88/44/196348844.db2.gz NEIMNZDPTVVUSX-MRVPVSSYSA-N 1 2 267.314 2.584 20 5 CFBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000037562566 173272773 /nfs/dbraw/zinc/27/27/73/173272773.db2.gz PGUGOBZDGCJXER-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@H]([NH2+]Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000040505341 174301615 /nfs/dbraw/zinc/30/16/15/174301615.db2.gz XYPYDVRMFLEISE-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000392374639 270306934 /nfs/dbraw/zinc/30/69/34/270306934.db2.gz HYRMNTAVHLQGGL-ZJUUUORDSA-N 1 2 289.339 2.742 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000293546568 277377547 /nfs/dbraw/zinc/37/75/47/277377547.db2.gz YPYGIYWBRVJEPG-IUCAKERBSA-N 1 2 268.288 2.583 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000293546568 277377548 /nfs/dbraw/zinc/37/75/48/277377548.db2.gz YPYGIYWBRVJEPG-IUCAKERBSA-N 1 2 268.288 2.583 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000271862095 278379438 /nfs/dbraw/zinc/37/94/38/278379438.db2.gz ZRTDJXOPJAAXLW-GHMZBOCLSA-N 1 2 272.308 2.797 20 5 CFBDLO C[C@H]1COCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413258740 279918622 /nfs/dbraw/zinc/91/86/22/279918622.db2.gz FRHBUXGMQIAYFM-HZMBPMFUSA-N 1 2 287.319 2.980 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457493 288211407 /nfs/dbraw/zinc/21/14/07/288211407.db2.gz QLHCKIRBPOVQKU-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457493 288211412 /nfs/dbraw/zinc/21/14/12/288211412.db2.gz QLHCKIRBPOVQKU-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000048545996 280431087 /nfs/dbraw/zinc/43/10/87/280431087.db2.gz LEHHSDMXRWUYMB-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)c1 ZINC000094659600 280578838 /nfs/dbraw/zinc/57/88/38/280578838.db2.gz VJUOWPBWUMSPSL-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430238758 281232658 /nfs/dbraw/zinc/23/26/58/281232658.db2.gz RFEJYNQGWFSDAN-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430238758 281232660 /nfs/dbraw/zinc/23/26/60/281232660.db2.gz RFEJYNQGWFSDAN-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000492324047 281278393 /nfs/dbraw/zinc/27/83/93/281278393.db2.gz WUJPJMBRFHWXLA-FPLPWBNLSA-N 1 2 297.314 2.680 20 5 CFBDLO Cc1ccnc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450827487 281474628 /nfs/dbraw/zinc/47/46/28/281474628.db2.gz IADIZCRIHBSROA-ZJUUUORDSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c[nH+]1 ZINC000535034669 281494671 /nfs/dbraw/zinc/49/46/71/281494671.db2.gz GJNPVUMKKXUGNN-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC000157238261 289951553 /nfs/dbraw/zinc/95/15/53/289951553.db2.gz VLKQYWDODDDCEE-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000170957164 322396581 /nfs/dbraw/zinc/39/65/81/322396581.db2.gz YEYQUFFZHZBPGS-UHFFFAOYSA-N 1 2 263.278 2.612 20 5 CFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c[nH+]1 ZINC000574068195 322679779 /nfs/dbraw/zinc/67/97/79/322679779.db2.gz ACGDQYQZZXCIEJ-UHFFFAOYSA-N 1 2 299.330 2.898 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000583761021 325309312 /nfs/dbraw/zinc/30/93/12/325309312.db2.gz DCWCNFKNBDEOJS-ZDUSSCGKSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000583761021 325309315 /nfs/dbraw/zinc/30/93/15/325309315.db2.gz DCWCNFKNBDEOJS-ZDUSSCGKSA-N 1 2 299.330 2.685 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049236058 524793840 /nfs/dbraw/zinc/79/38/40/524793840.db2.gz URVORFLOZMNFAF-SECBINFHSA-N 1 2 280.715 2.945 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1NCc1cn2ccccc2[nH+]1 ZINC000078500393 525470529 /nfs/dbraw/zinc/47/05/29/525470529.db2.gz UUGMXHFCYVMTTC-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051114780 525709016 /nfs/dbraw/zinc/70/90/16/525709016.db2.gz ZRBZJVOKKCIRAW-PHIMTYICSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051114780 525709023 /nfs/dbraw/zinc/70/90/23/525709023.db2.gz ZRBZJVOKKCIRAW-PHIMTYICSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C3CCC3)c2c1 ZINC000413314932 534884991 /nfs/dbraw/zinc/88/49/91/534884991.db2.gz JKXHLTFJIXPOKT-AWEZNQCLSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3=CCCOC3)c2c1 ZINC000413303035 534885403 /nfs/dbraw/zinc/88/54/03/534885403.db2.gz PUFBLIINDWCOID-UHFFFAOYSA-N 1 2 285.303 2.902 20 5 CFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000162695521 527141457 /nfs/dbraw/zinc/14/14/57/527141457.db2.gz WKXOSQYVQLQCLF-UHFFFAOYSA-N 1 2 298.258 2.830 20 5 CFBDLO CCC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)COC1 ZINC000413317316 527756359 /nfs/dbraw/zinc/75/63/59/527756359.db2.gz MPZMCSRBPHBEEV-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO CC1(C)[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413253420 527878376 /nfs/dbraw/zinc/87/83/76/527878376.db2.gz UVRIWTKPCPGLJX-OLZOCXBDSA-N 1 2 287.319 2.714 20 5 CFBDLO NC(Cc1cccs1)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000731029522 574106954 /nfs/dbraw/zinc/10/69/54/574106954.db2.gz VRVKYNGTMGPGRR-UHFFFAOYSA-N 1 2 291.332 2.897 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000735486640 574326719 /nfs/dbraw/zinc/32/67/19/574326719.db2.gz FTXGYISOMJDJJS-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO COc1c(C)c[nH+]c(CNc2ccc([N+](=O)[O-])nc2)c1C ZINC000735486656 574326744 /nfs/dbraw/zinc/32/67/44/574326744.db2.gz GINOHZSLWKXJBD-UHFFFAOYSA-N 1 2 288.307 2.622 20 5 CFBDLO C[C@@H]1CSCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934297741 617990611 /nfs/dbraw/zinc/99/06/11/617990611.db2.gz KOFKPOVBAVQDRI-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@@H]1CSCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934297741 617990613 /nfs/dbraw/zinc/99/06/13/617990613.db2.gz KOFKPOVBAVQDRI-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO COCC[N@H+](CCF)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852485579 618776240 /nfs/dbraw/zinc/77/62/40/618776240.db2.gz WMCQXFCOAUHCBH-NSHDSACASA-N 1 2 270.304 2.574 20 5 CFBDLO COCC[N@@H+](CCF)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852485579 618776241 /nfs/dbraw/zinc/77/62/41/618776241.db2.gz WMCQXFCOAUHCBH-NSHDSACASA-N 1 2 270.304 2.574 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000822790540 623175775 /nfs/dbraw/zinc/17/57/75/623175775.db2.gz HZRBHIIBBLKYCT-KCJUWKMLSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000822790540 623175777 /nfs/dbraw/zinc/17/57/77/623175777.db2.gz HZRBHIIBBLKYCT-KCJUWKMLSA-N 1 2 297.152 2.952 20 5 CFBDLO COCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCF ZINC000827054133 623933085 /nfs/dbraw/zinc/93/30/85/623933085.db2.gz MMPWZKYBCUSDAB-GQCTYLIASA-N 1 2 282.315 2.526 20 5 CFBDLO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCF ZINC000827054133 623933089 /nfs/dbraw/zinc/93/30/89/623933089.db2.gz MMPWZKYBCUSDAB-GQCTYLIASA-N 1 2 282.315 2.526 20 5 CFBDLO CCC[N@@H+](Cc1ccc(C)cc1)Cn1nccc1[N+](=O)[O-] ZINC000917455810 624344768 /nfs/dbraw/zinc/34/47/68/624344768.db2.gz DBPXHZLYYJKBCU-UHFFFAOYSA-N 1 2 288.351 2.969 20 5 CFBDLO CCC[N@H+](Cc1ccc(C)cc1)Cn1nccc1[N+](=O)[O-] ZINC000917455810 624344770 /nfs/dbraw/zinc/34/47/70/624344770.db2.gz DBPXHZLYYJKBCU-UHFFFAOYSA-N 1 2 288.351 2.969 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922540208 626306460 /nfs/dbraw/zinc/30/64/60/626306460.db2.gz HGRDEVTZNBLLSN-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1Cl ZINC000839192896 626530870 /nfs/dbraw/zinc/53/08/70/626530870.db2.gz QCRPVDHUGPFKJR-UWVGGRQHSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1Cl ZINC000839192896 626530871 /nfs/dbraw/zinc/53/08/71/626530871.db2.gz QCRPVDHUGPFKJR-UWVGGRQHSA-N 1 2 284.768 2.938 20 5 CFBDLO Cc1cc(C)c(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C)[nH+]1 ZINC000839235636 626532778 /nfs/dbraw/zinc/53/27/78/626532778.db2.gz LYVQUFVJUVNSQI-UHFFFAOYSA-N 1 2 279.340 2.781 20 5 CFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549112 627353283 /nfs/dbraw/zinc/35/32/83/627353283.db2.gz PEGSFQRVZLHUJI-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768549112 627353285 /nfs/dbraw/zinc/35/32/85/627353285.db2.gz PEGSFQRVZLHUJI-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO Cc1ccc(OCc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000782111290 628605820 /nfs/dbraw/zinc/60/58/20/628605820.db2.gz QTIHHIKMWKPQJM-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO CC1=C(c2ccco2)C[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000800866715 630412650 /nfs/dbraw/zinc/41/26/50/630412650.db2.gz CEBDMSPKVPLVLX-UHFFFAOYSA-N 1 2 288.307 2.521 20 5 CFBDLO CC1=C(c2ccco2)C[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000800866715 630412654 /nfs/dbraw/zinc/41/26/54/630412654.db2.gz CEBDMSPKVPLVLX-UHFFFAOYSA-N 1 2 288.307 2.521 20 5 CFBDLO CC1=C(c2ccco2)C[N@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000800866414 630412885 /nfs/dbraw/zinc/41/28/85/630412885.db2.gz HLUXEEVGGPPWQH-UHFFFAOYSA-N 1 2 288.307 2.521 20 5 CFBDLO CC1=C(c2ccco2)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000800866414 630412895 /nfs/dbraw/zinc/41/28/95/630412895.db2.gz HLUXEEVGGPPWQH-UHFFFAOYSA-N 1 2 288.307 2.521 20 5 CFBDLO CNc1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c[nH+]1 ZINC000804356951 630675205 /nfs/dbraw/zinc/67/52/05/630675205.db2.gz VXHWVPRZWWMDHY-UHFFFAOYSA-N 1 2 289.251 2.683 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000872038647 641572465 /nfs/dbraw/zinc/57/24/65/641572465.db2.gz NVZQQTPATPPUFS-NXEZZACHSA-N 1 2 292.314 2.879 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n(C)n1 ZINC000872070246 641601173 /nfs/dbraw/zinc/60/11/73/641601173.db2.gz SVUXUMUKQGYQON-SNVBAGLBSA-N 1 2 292.314 2.627 20 5 CFBDLO CCn1nccc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088129 641622483 /nfs/dbraw/zinc/62/24/83/641622483.db2.gz OATWXLRXAZPKAF-JTQLQIEISA-N 1 2 292.314 2.801 20 5 CFBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000873186499 642054926 /nfs/dbraw/zinc/05/49/26/642054926.db2.gz BTSBMMSXYPYUBF-SNVBAGLBSA-N 1 2 290.298 2.683 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(F)CC1 ZINC000880241903 644605442 /nfs/dbraw/zinc/60/54/42/644605442.db2.gz LXAPWUPFJBLLCG-UHFFFAOYSA-N 1 2 256.252 2.668 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885941523 646776406 /nfs/dbraw/zinc/77/64/06/646776406.db2.gz BKZHCQUAISXDDC-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885941523 646776409 /nfs/dbraw/zinc/77/64/09/646776409.db2.gz BKZHCQUAISXDDC-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cccnc1[N+](=O)[O-] ZINC000885961056 646785047 /nfs/dbraw/zinc/78/50/47/646785047.db2.gz TXYRGLKBZKPZFD-UHFFFAOYSA-N 1 2 286.335 2.795 20 5 CFBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cccnc1[N+](=O)[O-] ZINC000885961056 646785050 /nfs/dbraw/zinc/78/50/50/646785050.db2.gz TXYRGLKBZKPZFD-UHFFFAOYSA-N 1 2 286.335 2.795 20 5 CFBDLO Cc1csc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])n1 ZINC000886129990 646886282 /nfs/dbraw/zinc/88/62/82/646886282.db2.gz SHDMXKARVYMJAL-VIFPVBQESA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347099 649580799 /nfs/dbraw/zinc/58/07/99/649580799.db2.gz VEXQGGOJUAZYAI-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000932347099 649580803 /nfs/dbraw/zinc/58/08/03/649580803.db2.gz VEXQGGOJUAZYAI-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1[nH]c2ccc(O[C@@H](C[N+](=O)[O-])c3cccnc3)cc2[nH+]1 ZINC001228327735 776460888 /nfs/dbraw/zinc/46/08/88/776460888.db2.gz UQDMEGZUECGAKY-HNNXBMFYSA-N 1 2 298.302 2.663 20 5 CFBDLO COCC1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000707156420 781227533 /nfs/dbraw/zinc/22/75/33/781227533.db2.gz UFRXCQZGVMBDDB-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO COCC1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000707156420 781227537 /nfs/dbraw/zinc/22/75/37/781227537.db2.gz UFRXCQZGVMBDDB-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710152602 781328978 /nfs/dbraw/zinc/32/89/78/781328978.db2.gz HMHCTYIYKCHBRS-GHMZBOCLSA-N 1 2 274.324 2.740 20 5 CFBDLO Cc1c[nH+]c(CCNc2nccc(C)c2[N+](=O)[O-])c(C)c1 ZINC000594594919 349455219 /nfs/dbraw/zinc/45/52/19/349455219.db2.gz BACGCNGWKRCFSM-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000594710105 349478373 /nfs/dbraw/zinc/47/83/73/349478373.db2.gz IKCSLIVOMGWNKV-GBIKHYSHSA-N 1 2 287.323 2.543 20 5 CFBDLO Cc1noc(C[N@@H+]2CCCc3sccc3C2)c1[N+](=O)[O-] ZINC000595314596 349600584 /nfs/dbraw/zinc/60/05/84/349600584.db2.gz TZCKXOXMBCXVMP-UHFFFAOYSA-N 1 2 293.348 2.901 20 5 CFBDLO Cc1noc(C[N@H+]2CCCc3sccc3C2)c1[N+](=O)[O-] ZINC000595314596 349600587 /nfs/dbraw/zinc/60/05/87/349600587.db2.gz TZCKXOXMBCXVMP-UHFFFAOYSA-N 1 2 293.348 2.901 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457158 349632540 /nfs/dbraw/zinc/63/25/40/349632540.db2.gz ANCGPPPAUUUDTJ-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457158 349632543 /nfs/dbraw/zinc/63/25/43/349632543.db2.gz ANCGPPPAUUUDTJ-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ncccc3[N+](=O)[O-])cn21 ZINC000068772349 346868711 /nfs/dbraw/zinc/86/87/11/346868711.db2.gz BEGJPHWPKBFOCP-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000595460078 349633896 /nfs/dbraw/zinc/63/38/96/349633896.db2.gz TVOLJNLMMZZQKR-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3cccc(C)c3C2)c1[N+](=O)[O-] ZINC000595460078 349633898 /nfs/dbraw/zinc/63/38/98/349633898.db2.gz TVOLJNLMMZZQKR-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000595536227 349653182 /nfs/dbraw/zinc/65/31/82/349653182.db2.gz WJNLJCWVXXFUEU-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000595536227 349653184 /nfs/dbraw/zinc/65/31/84/349653184.db2.gz WJNLJCWVXXFUEU-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596081448 349789230 /nfs/dbraw/zinc/78/92/30/349789230.db2.gz XFBUTEILEFCYKK-VIFPVBQESA-N 1 2 280.353 2.909 20 5 CFBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000175058330 529928199 /nfs/dbraw/zinc/92/81/99/529928199.db2.gz LTBHZUCUIWXQDP-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nccs1 ZINC000175058330 529928200 /nfs/dbraw/zinc/92/82/00/529928200.db2.gz LTBHZUCUIWXQDP-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO Cc1cc(NCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000074726804 347028990 /nfs/dbraw/zinc/02/89/90/347028990.db2.gz FBFWCJAGWWVLDA-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO CN(CC1=CCCOC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596465577 349909096 /nfs/dbraw/zinc/90/90/96/349909096.db2.gz KJPMODUCZVBLJS-UHFFFAOYSA-N 1 2 299.330 2.926 20 5 CFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH+]ccn1C ZINC000596541763 349935565 /nfs/dbraw/zinc/93/55/65/349935565.db2.gz FRNUTWHXBWZQAX-ZETCQYMHSA-N 1 2 281.703 2.550 20 5 CFBDLO CN(C)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000046484219 346428061 /nfs/dbraw/zinc/42/80/61/346428061.db2.gz UQCBXEDTJQWWIW-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000047591173 346455171 /nfs/dbraw/zinc/45/51/71/346455171.db2.gz ZJHNTLSLHREIJN-UHFFFAOYSA-N 1 2 299.330 2.665 20 5 CFBDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000047591173 346455176 /nfs/dbraw/zinc/45/51/76/346455176.db2.gz ZJHNTLSLHREIJN-UHFFFAOYSA-N 1 2 299.330 2.665 20 5 CFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000051873256 346507600 /nfs/dbraw/zinc/50/76/00/346507600.db2.gz XSPQXDWYCAZNMV-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccco1 ZINC000054174671 346561998 /nfs/dbraw/zinc/56/19/98/346561998.db2.gz VVNGBTTVWHDCLU-UHFFFAOYSA-N 1 2 296.348 2.898 20 5 CFBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccco1 ZINC000054174671 346562001 /nfs/dbraw/zinc/56/20/01/346562001.db2.gz VVNGBTTVWHDCLU-UHFFFAOYSA-N 1 2 296.348 2.898 20 5 CFBDLO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380102 346664310 /nfs/dbraw/zinc/66/43/10/346664310.db2.gz FGGAKCJVLUVYAB-SNVBAGLBSA-N 1 2 278.287 2.679 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(F)(F)F ZINC000064635294 346723196 /nfs/dbraw/zinc/72/31/96/346723196.db2.gz IXNHKTZWOKRPMJ-UHFFFAOYSA-N 1 2 292.257 2.988 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC(F)(F)F ZINC000064635294 346723197 /nfs/dbraw/zinc/72/31/97/346723197.db2.gz IXNHKTZWOKRPMJ-UHFFFAOYSA-N 1 2 292.257 2.988 20 5 CFBDLO Cc1cnc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000078628405 347266269 /nfs/dbraw/zinc/26/62/69/347266269.db2.gz TVROGIGXFXIKNE-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO Cc1cc(N2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080606996 347369681 /nfs/dbraw/zinc/36/96/81/347369681.db2.gz HETYQHQNNVNVIT-UHFFFAOYSA-N 1 2 295.770 2.841 20 5 CFBDLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091937318 347604034 /nfs/dbraw/zinc/60/40/34/347604034.db2.gz GGTWVQCCUVSZCH-AOOOYVTPSA-N 1 2 250.298 2.673 20 5 CFBDLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091937318 347604037 /nfs/dbraw/zinc/60/40/37/347604037.db2.gz GGTWVQCCUVSZCH-AOOOYVTPSA-N 1 2 250.298 2.673 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000268032972 348327408 /nfs/dbraw/zinc/32/74/08/348327408.db2.gz LNELOJVHDMDCLK-CYBMUJFWSA-N 1 2 286.335 2.769 20 5 CFBDLO CC[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000317672929 348433370 /nfs/dbraw/zinc/43/33/70/348433370.db2.gz BTUMOYQYMLWZCP-NSHDSACASA-N 1 2 298.306 2.824 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000587866715 348762729 /nfs/dbraw/zinc/76/27/29/348762729.db2.gz PMRPFFOBBDOBJJ-NSHDSACASA-N 1 2 290.298 2.772 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058521 349197405 /nfs/dbraw/zinc/19/74/05/349197405.db2.gz NJLWUDQPTMGTRE-TZMCWYRMSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593058521 349197407 /nfs/dbraw/zinc/19/74/07/349197407.db2.gz NJLWUDQPTMGTRE-TZMCWYRMSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593065224 349200482 /nfs/dbraw/zinc/20/04/82/349200482.db2.gz ZYGDAMZGCXXZMF-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593065224 349200485 /nfs/dbraw/zinc/20/04/85/349200485.db2.gz ZYGDAMZGCXXZMF-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1[nH]cc[nH+]1 ZINC000597666748 350122418 /nfs/dbraw/zinc/12/24/18/350122418.db2.gz MFTCFDKMHCTSNK-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO CCC(F)(F)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598996724 350356857 /nfs/dbraw/zinc/35/68/57/350356857.db2.gz MAUDMSMJCOWCRD-UHFFFAOYSA-N 1 2 274.267 2.738 20 5 CFBDLO COC[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599028239 350361046 /nfs/dbraw/zinc/36/10/46/350361046.db2.gz RYRYTNNZAYRLIO-SNVBAGLBSA-N 1 2 275.308 2.837 20 5 CFBDLO CO[C@H](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038072 350362629 /nfs/dbraw/zinc/36/26/29/350362629.db2.gz MRXZKNGTSRODMV-SNVBAGLBSA-N 1 2 275.308 2.980 20 5 CFBDLO C[C@H](CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599050747 350365728 /nfs/dbraw/zinc/36/57/28/350365728.db2.gz ARDWCFCNFPYONP-SNVBAGLBSA-N 1 2 275.308 2.573 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H]2CCC[C@H]2O)ccc2c[nH+]ccc21 ZINC000599051567 350366356 /nfs/dbraw/zinc/36/63/56/350366356.db2.gz IDYRKGXARGOCDT-SMDDNHRTSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@@H](O)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067083 350369342 /nfs/dbraw/zinc/36/93/42/350369342.db2.gz XTOQSSHQAHURLZ-VHSXEESVSA-N 1 2 275.308 2.714 20 5 CFBDLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)cc([N+](=O)[O-])c1 ZINC000107290194 186167507 /nfs/dbraw/zinc/16/75/07/186167507.db2.gz GWDWMASYGXKPKE-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1[nH]c(CN(C)Cc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000600113531 350512743 /nfs/dbraw/zinc/51/27/43/350512743.db2.gz ZYEQJWDWAGAUKM-UHFFFAOYSA-N 1 2 274.324 2.567 20 5 CFBDLO CCC(C)(C)OC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000600188438 350534928 /nfs/dbraw/zinc/53/49/28/350534928.db2.gz PREHOHFSPRNNOX-UHFFFAOYSA-N 1 2 278.352 2.984 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC(Cc3ccco3)C2)cs1 ZINC000600197108 350537706 /nfs/dbraw/zinc/53/77/06/350537706.db2.gz GTTGTGJPMXZPQJ-UHFFFAOYSA-N 1 2 278.333 2.924 20 5 CFBDLO CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601197961 350694109 /nfs/dbraw/zinc/69/41/09/350694109.db2.gz ITZJGRBZYZWQLR-UHFFFAOYSA-N 1 2 278.287 2.778 20 5 CFBDLO Cc1ccc(NCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000601198016 350694188 /nfs/dbraw/zinc/69/41/88/350694188.db2.gz LWHZPGIZJPBZLZ-UHFFFAOYSA-N 1 2 274.324 2.947 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602433194 350880028 /nfs/dbraw/zinc/88/00/28/350880028.db2.gz LFVIOPKRBOBHLX-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602433194 350880031 /nfs/dbraw/zinc/88/00/31/350880031.db2.gz LFVIOPKRBOBHLX-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000602883898 351057330 /nfs/dbraw/zinc/05/73/30/351057330.db2.gz YSKWHFQJXJOSAY-CQSZACIVSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000602883898 351057331 /nfs/dbraw/zinc/05/73/31/351057331.db2.gz YSKWHFQJXJOSAY-CQSZACIVSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1cc(NCc2cccc([N+](=O)[O-])c2)nc(C2CC2)[nH+]1 ZINC000609703886 351516165 /nfs/dbraw/zinc/51/61/65/351516165.db2.gz KQELPWKGPWXKPL-UHFFFAOYSA-N 1 2 284.319 2.605 20 5 CFBDLO C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000610726420 351598892 /nfs/dbraw/zinc/59/88/92/351598892.db2.gz IDVBLBPSLLFDAI-PWSUYJOCSA-N 1 2 292.364 2.940 20 5 CFBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786796 351608447 /nfs/dbraw/zinc/60/84/47/351608447.db2.gz VHQLDFKLYQJRNZ-QMMMGPOBSA-N 1 2 291.307 2.756 20 5 CFBDLO C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000611413609 351687057 /nfs/dbraw/zinc/68/70/57/351687057.db2.gz HYYYKBSYLTVOIE-PWSUYJOCSA-N 1 2 292.364 2.940 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516989 351702687 /nfs/dbraw/zinc/70/26/87/351702687.db2.gz RFZQIJWLPMZKTE-JQWIXIFHSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516989 351702689 /nfs/dbraw/zinc/70/26/89/351702689.db2.gz RFZQIJWLPMZKTE-JQWIXIFHSA-N 1 2 282.315 2.783 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=CCC1 ZINC000611517179 351702725 /nfs/dbraw/zinc/70/27/25/351702725.db2.gz GPDVFYBWXZQCDL-UHFFFAOYSA-N 1 2 262.309 2.755 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=CCC1 ZINC000611517179 351702727 /nfs/dbraw/zinc/70/27/27/351702727.db2.gz GPDVFYBWXZQCDL-UHFFFAOYSA-N 1 2 262.309 2.755 20 5 CFBDLO O=[N+]([O-])c1sccc1NCCCNc1cccc[nH+]1 ZINC000611370239 351675600 /nfs/dbraw/zinc/67/56/00/351675600.db2.gz JNUMEMBROVBYHY-UHFFFAOYSA-N 1 2 278.337 2.965 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC=C(F)C2)cc1 ZINC000271566620 191216827 /nfs/dbraw/zinc/21/68/27/191216827.db2.gz AUXGEIYEZKSDOS-UHFFFAOYSA-N 1 2 250.273 2.696 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC=C(F)C2)cc1 ZINC000271566620 191216829 /nfs/dbraw/zinc/21/68/29/191216829.db2.gz AUXGEIYEZKSDOS-UHFFFAOYSA-N 1 2 250.273 2.696 20 5 CFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000292714789 198385936 /nfs/dbraw/zinc/38/59/36/198385936.db2.gz RSKOVUMAAYNYAY-UHFFFAOYSA-N 1 2 287.319 2.632 20 5 CFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC000292729560 198392469 /nfs/dbraw/zinc/39/24/69/198392469.db2.gz SZRJPEFQLVNWDP-UHFFFAOYSA-N 1 2 260.297 2.666 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000294931309 199256218 /nfs/dbraw/zinc/25/62/18/199256218.db2.gz HIJJKJUHGQCSOY-UHFFFAOYSA-N 1 2 288.307 2.626 20 5 CFBDLO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177568278 189057641 /nfs/dbraw/zinc/05/76/41/189057641.db2.gz LSIQJGORLWACET-CQSZACIVSA-N 1 2 290.319 2.974 20 5 CFBDLO C[C@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000118418683 291261529 /nfs/dbraw/zinc/26/15/29/291261529.db2.gz ROQQMPKUJKCLLY-RKDXNWHRSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000118418683 291261531 /nfs/dbraw/zinc/26/15/31/291261531.db2.gz ROQQMPKUJKCLLY-RKDXNWHRSA-N 1 2 272.395 2.982 20 5 CFBDLO COc1cc(C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000184226494 189380110 /nfs/dbraw/zinc/38/01/10/189380110.db2.gz YBLVBZBBDVONQD-UHFFFAOYSA-N 1 2 294.282 2.968 20 5 CFBDLO COc1cc(C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1F ZINC000184226494 189380111 /nfs/dbraw/zinc/38/01/11/189380111.db2.gz YBLVBZBBDVONQD-UHFFFAOYSA-N 1 2 294.282 2.968 20 5 CFBDLO CCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000449610020 242062944 /nfs/dbraw/zinc/06/29/44/242062944.db2.gz PFDVSVRYMCZQLT-UHFFFAOYSA-N 1 2 279.271 2.574 20 5 CFBDLO COC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449768214 242148716 /nfs/dbraw/zinc/14/87/16/242148716.db2.gz AHJZJMGCMXZHBN-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO COC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449768214 242148723 /nfs/dbraw/zinc/14/87/23/242148723.db2.gz AHJZJMGCMXZHBN-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491366404 246063707 /nfs/dbraw/zinc/06/37/07/246063707.db2.gz LVJGTPFPYNYXBN-SREVYHEPSA-N 1 2 299.286 2.650 20 5 CFBDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000492748621 246374621 /nfs/dbraw/zinc/37/46/21/246374621.db2.gz NCPIOMYIQMSHHQ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1cc(C[N@H+]2CC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000492748621 246374626 /nfs/dbraw/zinc/37/46/26/246374626.db2.gz NCPIOMYIQMSHHQ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000090165560 374994347 /nfs/dbraw/zinc/99/43/47/374994347.db2.gz QKBOMZRIGBVHIS-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645413 375284412 /nfs/dbraw/zinc/28/44/12/375284412.db2.gz MGTKXIMYPPXCME-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000093645413 375284416 /nfs/dbraw/zinc/28/44/16/375284416.db2.gz MGTKXIMYPPXCME-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCC2)C1 ZINC000270868762 296240526 /nfs/dbraw/zinc/24/05/26/296240526.db2.gz LKTAWYDPEQLBPK-LBPRGKRZSA-N 1 2 276.336 2.911 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCC2)C1 ZINC000270868762 296240529 /nfs/dbraw/zinc/24/05/29/296240529.db2.gz LKTAWYDPEQLBPK-LBPRGKRZSA-N 1 2 276.336 2.911 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119514107 376428435 /nfs/dbraw/zinc/42/84/35/376428435.db2.gz VYOZTQDGDWKMOD-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119514107 376428443 /nfs/dbraw/zinc/42/84/43/376428443.db2.gz VYOZTQDGDWKMOD-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121239001 376788508 /nfs/dbraw/zinc/78/85/08/376788508.db2.gz ZMPADRNAYQZPTO-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121239001 376788514 /nfs/dbraw/zinc/78/85/14/376788514.db2.gz ZMPADRNAYQZPTO-HNNXBMFYSA-N 1 2 288.303 2.761 20 5 CFBDLO Cc1cccn2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])nc12 ZINC000124004056 377006753 /nfs/dbraw/zinc/00/67/53/377006753.db2.gz GAXXIRYRBCTZBE-UHFFFAOYSA-N 1 2 296.330 2.841 20 5 CFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1[nH]cc[nH+]1 ZINC000140465273 378238087 /nfs/dbraw/zinc/23/80/87/378238087.db2.gz BUXDRXZQSBVVDJ-GFCCVEGCSA-N 1 2 288.307 2.507 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000154133826 378541613 /nfs/dbraw/zinc/54/16/13/378541613.db2.gz PINVIWHZUIAFGZ-UHFFFAOYSA-N 1 2 296.330 2.825 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330516783 378575943 /nfs/dbraw/zinc/57/59/43/378575943.db2.gz MLOCDMJEJVETBX-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330516783 378575949 /nfs/dbraw/zinc/57/59/49/378575949.db2.gz MLOCDMJEJVETBX-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330673682 378596272 /nfs/dbraw/zinc/59/62/72/378596272.db2.gz YSOYDUXBUQUDBH-GXFFZTMASA-N 1 2 264.325 2.969 20 5 CFBDLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000179024242 380502102 /nfs/dbraw/zinc/50/21/02/380502102.db2.gz RHXVILVXJPPCJO-UHFFFAOYSA-N 1 2 296.286 2.519 20 5 CFBDLO C[C@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347343810 381085370 /nfs/dbraw/zinc/08/53/70/381085370.db2.gz HIAQUGATTVFYIY-LBPRGKRZSA-N 1 2 256.252 2.668 20 5 CFBDLO C[C@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347343810 381085373 /nfs/dbraw/zinc/08/53/73/381085373.db2.gz HIAQUGATTVFYIY-LBPRGKRZSA-N 1 2 256.252 2.668 20 5 CFBDLO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184575085 381436242 /nfs/dbraw/zinc/43/62/42/381436242.db2.gz GGGSSKLFQUFLDK-CYBMUJFWSA-N 1 2 290.319 2.974 20 5 CFBDLO C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108771 381535606 /nfs/dbraw/zinc/53/56/06/381535606.db2.gz MAVYTRQUCQHPMN-JTQLQIEISA-N 1 2 257.293 2.989 20 5 CFBDLO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000342856834 381588748 /nfs/dbraw/zinc/58/87/48/381588748.db2.gz IGQPEVUPTWGRHI-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000342856834 381588754 /nfs/dbraw/zinc/58/87/54/381588754.db2.gz IGQPEVUPTWGRHI-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000291184911 381698320 /nfs/dbraw/zinc/69/83/20/381698320.db2.gz SFDKYPUDVFQRTA-SNVBAGLBSA-N 1 2 292.343 2.652 20 5 CFBDLO Cc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000355294312 381732326 /nfs/dbraw/zinc/73/23/26/381732326.db2.gz WMPMOENIJQOOHR-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000355301203 381737965 /nfs/dbraw/zinc/73/79/65/381737965.db2.gz SVTNUTKQSANTBU-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO Cn1c[nH+]cc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000349378005 381915596 /nfs/dbraw/zinc/91/55/96/381915596.db2.gz KDQJOCJDYFCCJB-UHFFFAOYSA-N 1 2 267.672 2.561 20 5 CFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000293265278 382054153 /nfs/dbraw/zinc/05/41/53/382054153.db2.gz BOPWRDSJYPOHSS-IUCAKERBSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000293265278 382054160 /nfs/dbraw/zinc/05/41/60/382054160.db2.gz BOPWRDSJYPOHSS-IUCAKERBSA-N 1 2 297.742 2.527 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000357579970 382236297 /nfs/dbraw/zinc/23/62/97/382236297.db2.gz GJGPMJIUDUFBOB-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC000302772864 382314401 /nfs/dbraw/zinc/31/44/01/382314401.db2.gz NPDDOIADFQMEEO-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cc[nH]n1 ZINC000352426868 382327200 /nfs/dbraw/zinc/32/72/00/382327200.db2.gz ZBAFBRPKTCHKOM-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cc[nH]n1 ZINC000352426868 382327206 /nfs/dbraw/zinc/32/72/06/382327206.db2.gz ZBAFBRPKTCHKOM-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO CC[C@H](F)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708658 382454469 /nfs/dbraw/zinc/45/44/69/382454469.db2.gz HCAOTECBAWRPOT-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO CC[C@H](F)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708658 382454472 /nfs/dbraw/zinc/45/44/72/382454472.db2.gz HCAOTECBAWRPOT-NSHDSACASA-N 1 2 268.288 2.537 20 5 CFBDLO CCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000381868232 382526456 /nfs/dbraw/zinc/52/64/56/382526456.db2.gz PKWYBIKUOUYBIC-UHFFFAOYSA-N 1 2 252.289 2.966 20 5 CFBDLO Cc1cn2c(n1)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000378640029 382498943 /nfs/dbraw/zinc/49/89/43/382498943.db2.gz VZBWCEJKWKVHHU-GQCTYLIASA-N 1 2 298.346 2.629 20 5 CFBDLO Cc1cn2c(n1)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000378640029 382498949 /nfs/dbraw/zinc/49/89/49/382498949.db2.gz VZBWCEJKWKVHHU-GQCTYLIASA-N 1 2 298.346 2.629 20 5 CFBDLO CC(C)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161003 382504733 /nfs/dbraw/zinc/50/47/33/382504733.db2.gz ASLJMOODGGYWHR-GMNBZTITSA-N 1 2 290.363 2.965 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161003 382504739 /nfs/dbraw/zinc/50/47/39/382504739.db2.gz ASLJMOODGGYWHR-GMNBZTITSA-N 1 2 290.363 2.965 20 5 CFBDLO Cc1cnccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000575083387 382726560 /nfs/dbraw/zinc/72/65/60/382726560.db2.gz GHKUZKWGOJZIEE-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cnccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000575083387 382726561 /nfs/dbraw/zinc/72/65/61/382726561.db2.gz GHKUZKWGOJZIEE-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000224009998 382808723 /nfs/dbraw/zinc/80/87/23/382808723.db2.gz OJVNNQZWDYDZNO-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC000337828749 382869799 /nfs/dbraw/zinc/86/97/99/382869799.db2.gz UUXCUKOHBZROLO-UHFFFAOYSA-N 1 2 257.293 2.669 20 5 CFBDLO CC(C)[NH+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339061743 383135834 /nfs/dbraw/zinc/13/58/34/383135834.db2.gz LIHSDYPACXIYTL-UHFFFAOYSA-N 1 2 252.314 2.919 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247408002 383171059 /nfs/dbraw/zinc/17/10/59/383171059.db2.gz CANRWYCPSZRTLW-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247408002 383171061 /nfs/dbraw/zinc/17/10/61/383171061.db2.gz CANRWYCPSZRTLW-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247511099 383180481 /nfs/dbraw/zinc/18/04/81/383180481.db2.gz JRHNDQJHWIPHQV-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247511099 383180485 /nfs/dbraw/zinc/18/04/85/383180485.db2.gz JRHNDQJHWIPHQV-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247704150 383192750 /nfs/dbraw/zinc/19/27/50/383192750.db2.gz RQQHDFKSHJBTMS-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247704150 383192753 /nfs/dbraw/zinc/19/27/53/383192753.db2.gz RQQHDFKSHJBTMS-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO COC[C@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099568 383149493 /nfs/dbraw/zinc/14/94/93/383149493.db2.gz XVDMQERTNUESAO-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO COC[C@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099568 383149495 /nfs/dbraw/zinc/14/94/95/383149495.db2.gz XVDMQERTNUESAO-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C(CF)CF ZINC000449378679 383248623 /nfs/dbraw/zinc/24/86/23/383248623.db2.gz FJFCJJZABNEGSW-HWKANZROSA-N 1 2 256.252 2.505 20 5 CFBDLO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(F)F ZINC000449358766 383237827 /nfs/dbraw/zinc/23/78/27/383237827.db2.gz GLPYOMYRJXMOIR-SECBINFHSA-N 1 2 274.267 2.737 20 5 CFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCSC1 ZINC000340579189 383476307 /nfs/dbraw/zinc/47/63/07/383476307.db2.gz OUJXYCWMQYMWHM-MRVPVSSYSA-N 1 2 288.319 2.810 20 5 CFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCSC1 ZINC000340579189 383476310 /nfs/dbraw/zinc/47/63/10/383476310.db2.gz OUJXYCWMQYMWHM-MRVPVSSYSA-N 1 2 288.319 2.810 20 5 CFBDLO C[C@@H](c1csnn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450976546 383575553 /nfs/dbraw/zinc/57/55/53/383575553.db2.gz QZSWGJYINIWONG-JTQLQIEISA-N 1 2 292.364 2.682 20 5 CFBDLO C[C@@H](c1csnn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450976546 383575557 /nfs/dbraw/zinc/57/55/57/383575557.db2.gz QZSWGJYINIWONG-JTQLQIEISA-N 1 2 292.364 2.682 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](F)C1 ZINC000574882793 384160331 /nfs/dbraw/zinc/16/03/31/384160331.db2.gz WFIYFJQMYKAOIX-LBPRGKRZSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](F)C1 ZINC000574882793 384160335 /nfs/dbraw/zinc/16/03/35/384160335.db2.gz WFIYFJQMYKAOIX-LBPRGKRZSA-N 1 2 282.315 2.927 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000269638584 285093879 /nfs/dbraw/zinc/09/38/79/285093879.db2.gz NKBUGJRNYXYNBU-UHFFFAOYSA-N 1 2 297.305 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000302821961 285118017 /nfs/dbraw/zinc/11/80/17/285118017.db2.gz RTRNQSRXBRJRON-UHFFFAOYSA-N 1 2 290.298 2.772 20 5 CFBDLO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC000282840225 385398198 /nfs/dbraw/zinc/39/81/98/385398198.db2.gz SSFZBDBLVYZWFO-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2noc3c2CCCC3)cs1 ZINC000288354230 197057317 /nfs/dbraw/zinc/05/73/17/197057317.db2.gz CIBXBTUAJVFBDB-UHFFFAOYSA-N 1 2 293.348 2.813 20 5 CFBDLO C[C@@H](Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000413157170 533567230 /nfs/dbraw/zinc/56/72/30/533567230.db2.gz TXUYDRQETZTPLS-NXEZZACHSA-N 1 2 275.308 2.572 20 5 CFBDLO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cn21 ZINC000195049407 393729235 /nfs/dbraw/zinc/72/92/35/393729235.db2.gz XDHSBEPZPGLNTF-UHFFFAOYSA-N 1 2 297.318 2.673 20 5 CFBDLO CCc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000414373462 393799869 /nfs/dbraw/zinc/79/98/69/393799869.db2.gz SGLNSOLVUHBRPH-UHFFFAOYSA-N 1 2 286.335 2.579 20 5 CFBDLO CCc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000414373462 393799871 /nfs/dbraw/zinc/79/98/71/393799871.db2.gz SGLNSOLVUHBRPH-UHFFFAOYSA-N 1 2 286.335 2.579 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113942675 393899268 /nfs/dbraw/zinc/89/92/68/393899268.db2.gz OHWZXUSCQZZEKM-LBPRGKRZSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113942675 393899270 /nfs/dbraw/zinc/89/92/70/393899270.db2.gz OHWZXUSCQZZEKM-LBPRGKRZSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000279744291 394068356 /nfs/dbraw/zinc/06/83/56/394068356.db2.gz PIRJIODDKXXBSW-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000294202541 394290823 /nfs/dbraw/zinc/29/08/23/394290823.db2.gz SZUUVBXFLHJNTD-ZYHUDNBSSA-N 1 2 272.308 2.587 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000451114495 394358614 /nfs/dbraw/zinc/35/86/14/394358614.db2.gz MBWVMDPWLPWLJV-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000451114495 394358616 /nfs/dbraw/zinc/35/86/16/394358616.db2.gz MBWVMDPWLPWLJV-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000276537583 292295418 /nfs/dbraw/zinc/29/54/18/292295418.db2.gz ILOSYEANIUFTCW-RYUDHWBXSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000276537583 292295420 /nfs/dbraw/zinc/29/54/20/292295420.db2.gz ILOSYEANIUFTCW-RYUDHWBXSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])nc2)[nH+]1 ZINC000343228748 154148589 /nfs/dbraw/zinc/14/85/89/154148589.db2.gz XZFMWTNNUMLHGO-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO C[N@H+](Cc1ccc(F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000345735532 154254437 /nfs/dbraw/zinc/25/44/37/154254437.db2.gz BYXRZICAORIKID-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1ccc(F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC000345735532 154254441 /nfs/dbraw/zinc/25/44/41/154254441.db2.gz BYXRZICAORIKID-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359840523 156026433 /nfs/dbraw/zinc/02/64/33/156026433.db2.gz IAMLNZRYYQANCO-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000346106294 162319172 /nfs/dbraw/zinc/31/91/72/162319172.db2.gz IZQDCRMAIUFQEX-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351585925 163152014 /nfs/dbraw/zinc/15/20/14/163152014.db2.gz ZMHGTWHUMZNNDA-AOOOYVTPSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000351585925 163152016 /nfs/dbraw/zinc/15/20/16/163152016.db2.gz ZMHGTWHUMZNNDA-AOOOYVTPSA-N 1 2 294.738 2.944 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1nccn1C ZINC000352780309 163232883 /nfs/dbraw/zinc/23/28/83/163232883.db2.gz TVPYGGBRHPIRHH-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1nccn1C ZINC000352780309 163232888 /nfs/dbraw/zinc/23/28/88/163232888.db2.gz TVPYGGBRHPIRHH-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1[nH+]ccn1C ZINC000352780309 163232891 /nfs/dbraw/zinc/23/28/91/163232891.db2.gz TVPYGGBRHPIRHH-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000010163002 170399422 /nfs/dbraw/zinc/39/94/22/170399422.db2.gz OBYNEIQALDKKIJ-UHFFFAOYSA-N 1 2 257.249 2.551 20 5 CFBDLO CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040765251 174397700 /nfs/dbraw/zinc/39/77/00/174397700.db2.gz UKBCNPUCGVWRKN-UHFFFAOYSA-N 1 2 272.308 2.602 20 5 CFBDLO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330673683 287298236 /nfs/dbraw/zinc/29/82/36/287298236.db2.gz YSOYDUXBUQUDBH-MFKMUULPSA-N 1 2 264.325 2.969 20 5 CFBDLO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268216496 287604730 /nfs/dbraw/zinc/60/47/30/287604730.db2.gz BIBIAUQFFCGOSD-IUODEOHRSA-N 1 2 286.335 2.879 20 5 CFBDLO Cc1c(C[NH2+][C@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000398316320 270322129 /nfs/dbraw/zinc/32/21/29/270322129.db2.gz DCYAUSLSASHIES-SECBINFHSA-N 1 2 278.337 2.606 20 5 CFBDLO CC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000391884402 265024551 /nfs/dbraw/zinc/02/45/51/265024551.db2.gz XNVJMIGJFCSAFC-ZWNOBZJWSA-N 1 2 289.339 2.525 20 5 CFBDLO CC(C)=CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681506 277325001 /nfs/dbraw/zinc/32/50/01/277325001.db2.gz XXEUIDLJGUXZKV-UHFFFAOYSA-N 1 2 262.309 2.755 20 5 CFBDLO CC(C)=CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352681506 277325003 /nfs/dbraw/zinc/32/50/03/277325003.db2.gz XXEUIDLJGUXZKV-UHFFFAOYSA-N 1 2 262.309 2.755 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCSCC3)c2c1 ZINC000413060402 280371314 /nfs/dbraw/zinc/37/13/14/280371314.db2.gz JYJFQZUOSOICAD-UHFFFAOYSA-N 1 2 275.333 2.696 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000413161539 280371340 /nfs/dbraw/zinc/37/13/40/280371340.db2.gz BOZNMVPGGWNPDH-BETUJISGSA-N 1 2 285.303 2.511 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(CC4)C3)c2c1 ZINC000413323462 280371376 /nfs/dbraw/zinc/37/13/76/280371376.db2.gz IFOKKBJRWSLHDR-UHFFFAOYSA-N 1 2 255.277 2.743 20 5 CFBDLO CC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436468 281081164 /nfs/dbraw/zinc/08/11/64/281081164.db2.gz RAXOSIGCTLBXIY-NSHDSACASA-N 1 2 250.298 2.675 20 5 CFBDLO CC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330436468 281081166 /nfs/dbraw/zinc/08/11/66/281081166.db2.gz RAXOSIGCTLBXIY-NSHDSACASA-N 1 2 250.298 2.675 20 5 CFBDLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339003191 297363914 /nfs/dbraw/zinc/36/39/14/297363914.db2.gz FXEYDZXNRZMBNF-VHSXEESVSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339003191 297363917 /nfs/dbraw/zinc/36/39/17/297363917.db2.gz FXEYDZXNRZMBNF-VHSXEESVSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000162397675 322364207 /nfs/dbraw/zinc/36/42/07/322364207.db2.gz LXDFIHUAZRHMPQ-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1c[nH+]c3ccccn13)CC2 ZINC000182787841 323881965 /nfs/dbraw/zinc/88/19/65/323881965.db2.gz LHSGETMGPFRKFA-UHFFFAOYSA-N 1 2 294.314 2.805 20 5 CFBDLO CCc1cc(N)nc(SCc2csc([N+](=O)[O-])c2)[nH+]1 ZINC000582042864 325171106 /nfs/dbraw/zinc/17/11/06/325171106.db2.gz QAMKOYAAVGHFOA-UHFFFAOYSA-N 1 2 296.377 2.714 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncccn1 ZINC000584005271 325324521 /nfs/dbraw/zinc/32/45/21/325324521.db2.gz NHHRNILHPJIQCG-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO C[C@H](O)C[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149378 534099379 /nfs/dbraw/zinc/09/93/79/534099379.db2.gz BKLFIQUCAMVQOK-QWRGUYRKSA-N 1 2 289.335 2.962 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000315438614 524965620 /nfs/dbraw/zinc/96/56/20/524965620.db2.gz YWOBZXPTQMJYOW-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000049236101 525290549 /nfs/dbraw/zinc/29/05/49/525290549.db2.gz XNYWIMLBXGPFIN-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049236090 525316474 /nfs/dbraw/zinc/31/64/74/525316474.db2.gz NBTNEQPLGUPLBR-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC3CCOCC3)c2c1 ZINC000413069234 534884957 /nfs/dbraw/zinc/88/49/57/534884957.db2.gz KJNYMABLHQORHQ-UHFFFAOYSA-N 1 2 273.292 2.734 20 5 CFBDLO CC(C)(O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413222361 527329041 /nfs/dbraw/zinc/32/90/41/527329041.db2.gz BPGXUCPDAIFWDS-UHFFFAOYSA-N 1 2 275.308 2.716 20 5 CFBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000754856775 574124970 /nfs/dbraw/zinc/12/49/70/574124970.db2.gz LYBNTAIWPUZJNM-MDWZMJQESA-N 1 2 286.335 2.784 20 5 CFBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000754856775 574124971 /nfs/dbraw/zinc/12/49/71/574124971.db2.gz LYBNTAIWPUZJNM-MDWZMJQESA-N 1 2 286.335 2.784 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000742401095 574328074 /nfs/dbraw/zinc/32/80/74/574328074.db2.gz LLYMCASBIYQWCH-CQSZACIVSA-N 1 2 272.308 2.633 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000932335527 617650541 /nfs/dbraw/zinc/65/05/41/617650541.db2.gz HYSJVCNOABNZFB-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000932335527 617650543 /nfs/dbraw/zinc/65/05/43/617650543.db2.gz HYSJVCNOABNZFB-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1[nH]c([C@H]2CCCN2c2ncc([N+](=O)[O-])s2)[nH+]c1C ZINC000895194568 618459046 /nfs/dbraw/zinc/45/90/46/618459046.db2.gz ZKSGYEVKYXUHAH-SECBINFHSA-N 1 2 293.352 2.733 20 5 CFBDLO CCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000892606599 618651636 /nfs/dbraw/zinc/65/16/36/618651636.db2.gz CAURQSKOZSCGDD-UHFFFAOYSA-N 1 2 276.292 2.876 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000894827385 619475123 /nfs/dbraw/zinc/47/51/23/619475123.db2.gz BPEZHXHBDSIVDI-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000902680707 621147414 /nfs/dbraw/zinc/14/74/14/621147414.db2.gz RFJFICKMDJUSHI-ZDUSSCGKSA-N 1 2 292.335 2.681 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000902680707 621147417 /nfs/dbraw/zinc/14/74/17/621147417.db2.gz RFJFICKMDJUSHI-ZDUSSCGKSA-N 1 2 292.335 2.681 20 5 CFBDLO COCCC1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000826898881 623905279 /nfs/dbraw/zinc/90/52/79/623905279.db2.gz AYTLQXNRJWXQJH-UHFFFAOYSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nccn1C ZINC000827722549 624077476 /nfs/dbraw/zinc/07/74/76/624077476.db2.gz MQOUVSVKDPDLQL-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cccc(OCc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000762478193 626918823 /nfs/dbraw/zinc/91/88/23/626918823.db2.gz UNIJYSIKYIKGAS-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1[N+](=O)[O-] ZINC000768107733 627314724 /nfs/dbraw/zinc/31/47/24/627314724.db2.gz MUOIOXUKCHCXMQ-SNVBAGLBSA-N 1 2 291.307 2.832 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)no1 ZINC000783596883 628725230 /nfs/dbraw/zinc/72/52/30/628725230.db2.gz FQNRKNLOVFWBHW-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO O=[N+]([O-])CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000791055353 629284838 /nfs/dbraw/zinc/28/48/38/629284838.db2.gz SIHDZHCTSSYOPD-SNVBAGLBSA-N 1 2 280.221 2.686 20 5 CFBDLO COc1ccc(C[NH+]2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000793352331 629529506 /nfs/dbraw/zinc/52/95/06/629529506.db2.gz LLIBDDOJDTUSDV-UHFFFAOYSA-N 1 2 286.278 2.835 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000801540356 630456156 /nfs/dbraw/zinc/45/61/56/630456156.db2.gz ZEOIYRGBNCCLQY-GFCCVEGCSA-N 1 2 294.282 2.804 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1F ZINC000801987347 630497218 /nfs/dbraw/zinc/49/72/18/630497218.db2.gz CQNHXYWRHXFOLQ-VIFPVBQESA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1F ZINC000801987347 630497220 /nfs/dbraw/zinc/49/72/20/630497220.db2.gz CQNHXYWRHXFOLQ-VIFPVBQESA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)c(F)c1 ZINC000865927815 638662253 /nfs/dbraw/zinc/66/22/53/638662253.db2.gz INASWDQGXZARAW-SNVBAGLBSA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)c(F)c1 ZINC000865927815 638662256 /nfs/dbraw/zinc/66/22/56/638662256.db2.gz INASWDQGXZARAW-SNVBAGLBSA-N 1 2 285.294 2.580 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000872050981 641584586 /nfs/dbraw/zinc/58/45/86/641584586.db2.gz GQIQTVICQGVGBU-RKDXNWHRSA-N 1 2 278.287 2.869 20 5 CFBDLO Cn1c[nH+]cc1CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000090165916 650865684 /nfs/dbraw/zinc/86/56/84/650865684.db2.gz SODIJZBWSORVMC-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880470894 644725632 /nfs/dbraw/zinc/72/56/32/644725632.db2.gz QYGKBIKFIJMDSS-BXUZGUMPSA-N 1 2 294.351 2.595 20 5 CFBDLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924799866 648050014 /nfs/dbraw/zinc/05/00/14/648050014.db2.gz VMNVZVNOJPTZLJ-RKDXNWHRSA-N 1 2 276.296 2.698 20 5 CFBDLO Cc1noc(C[NH2+][C@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000934701163 649817110 /nfs/dbraw/zinc/81/71/10/649817110.db2.gz LMBOWTOGSRXUNF-ZDUSSCGKSA-N 1 2 288.307 2.527 20 5 CFBDLO Nc1cc(CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)cc[nH+]1 ZINC001167616860 770993233 /nfs/dbraw/zinc/99/32/33/770993233.db2.gz BFGMGXLBGGRXST-UHFFFAOYSA-N 1 2 283.291 2.665 20 5 CFBDLO C[C@H](Oc1cc[nH+]cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225291381 775396248 /nfs/dbraw/zinc/39/62/48/775396248.db2.gz UDCRWJFDENZJGR-VIFPVBQESA-N 1 2 288.259 2.859 20 5 CFBDLO CC(C)[N@@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620379 775529158 /nfs/dbraw/zinc/52/91/58/775529158.db2.gz PFDIHBLPFBIWJK-NSHDSACASA-N 1 2 280.324 2.552 20 5 CFBDLO CC(C)[N@H+]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620379 775529167 /nfs/dbraw/zinc/52/91/67/775529167.db2.gz PFDIHBLPFBIWJK-NSHDSACASA-N 1 2 280.324 2.552 20 5 CFBDLO O=[N+]([O-])c1cccc(OC2C[NH+](Cc3ccccc3)C2)c1 ZINC001226764041 775954219 /nfs/dbraw/zinc/95/42/19/775954219.db2.gz FCRXSNWJJSEHHQ-UHFFFAOYSA-N 1 2 284.315 2.858 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228055887 776380657 /nfs/dbraw/zinc/38/06/57/776380657.db2.gz YLWDJLWLZBMWLA-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO Cc1cc([N+](=O)[O-])c(OC2C[NH+](C(C)(C)C)C2)cc1F ZINC001229894261 776912844 /nfs/dbraw/zinc/91/28/44/776912844.db2.gz GSJYFZBRGNCPGV-UHFFFAOYSA-N 1 2 282.315 2.904 20 5 CFBDLO C[NH+]1CC(Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230941154 777098170 /nfs/dbraw/zinc/09/81/70/777098170.db2.gz MLOHBKVAVLVFTB-UHFFFAOYSA-N 1 2 284.315 2.955 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291353 349592065 /nfs/dbraw/zinc/59/20/65/349592065.db2.gz REFJKPWKMWSFPO-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291353 349592069 /nfs/dbraw/zinc/59/20/69/349592069.db2.gz REFJKPWKMWSFPO-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000595296504 349595080 /nfs/dbraw/zinc/59/50/80/349595080.db2.gz FDWIAPTUGNKBAZ-VIFPVBQESA-N 1 2 265.269 2.677 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccco2)c1[N+](=O)[O-] ZINC000595296504 349595083 /nfs/dbraw/zinc/59/50/83/349595083.db2.gz FDWIAPTUGNKBAZ-VIFPVBQESA-N 1 2 265.269 2.677 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595464315 349634476 /nfs/dbraw/zinc/63/44/76/349634476.db2.gz AAHKBBPHDZZCCK-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595464315 349634480 /nfs/dbraw/zinc/63/44/80/349634480.db2.gz AAHKBBPHDZZCCK-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468755 349636642 /nfs/dbraw/zinc/63/66/42/349636642.db2.gz LFUZMWPINNSNLT-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000595468755 349636645 /nfs/dbraw/zinc/63/66/45/349636645.db2.gz LFUZMWPINNSNLT-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000125996706 187209962 /nfs/dbraw/zinc/20/99/62/187209962.db2.gz MBKNAEILFPKIBT-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000125996706 187209963 /nfs/dbraw/zinc/20/99/63/187209963.db2.gz MBKNAEILFPKIBT-NSHDSACASA-N 1 2 270.354 2.657 20 5 CFBDLO COc1cc(NCCn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596060606 349784754 /nfs/dbraw/zinc/78/47/54/349784754.db2.gz VNRBJYMVLIHSDK-UHFFFAOYSA-N 1 2 296.714 2.565 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000295015168 199300612 /nfs/dbraw/zinc/30/06/12/199300612.db2.gz PWAHJTZPEORCNJ-UHFFFAOYSA-N 1 2 286.335 2.925 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000074271453 347006435 /nfs/dbraw/zinc/00/64/35/347006435.db2.gz OOFDYRRTKKZGBS-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO C[C@H](Nc1sccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596541382 349935800 /nfs/dbraw/zinc/93/58/00/349935800.db2.gz FPQAGSSCROTBBV-ZETCQYMHSA-N 1 2 252.299 2.563 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000018060163 346241520 /nfs/dbraw/zinc/24/15/20/346241520.db2.gz MXCVNAOBFBILOL-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000022136111 346247966 /nfs/dbraw/zinc/24/79/66/346247966.db2.gz PQTPDKOUHNJALM-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO Cc1ccn2cc(CNc3ncccc3[N+](=O)[O-])[nH+]c2c1 ZINC000079860792 347329093 /nfs/dbraw/zinc/32/90/93/347329093.db2.gz JHRCHOJDAWGPCY-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091859225 347601478 /nfs/dbraw/zinc/60/14/78/347601478.db2.gz LEZNYYTZHDZJGR-VHSXEESVSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091859225 347601480 /nfs/dbraw/zinc/60/14/80/347601480.db2.gz LEZNYYTZHDZJGR-VHSXEESVSA-N 1 2 250.298 2.531 20 5 CFBDLO COc1ccc(NCc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000225894135 348180494 /nfs/dbraw/zinc/18/04/94/348180494.db2.gz VSCHANCVSFGUIS-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO C[C@H](C[C@H](C)O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230188 233039011 /nfs/dbraw/zinc/03/90/11/233039011.db2.gz ADPUFPMFSQHPIO-ZJUUUORDSA-N 1 2 275.308 2.714 20 5 CFBDLO CC1(F)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591159715 348995045 /nfs/dbraw/zinc/99/50/45/348995045.db2.gz SILHQZOSKPXPDM-UHFFFAOYSA-N 1 2 261.256 2.691 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593065225 349200540 /nfs/dbraw/zinc/20/05/40/349200540.db2.gz ZYGDAMZGCXXZMF-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593065225 349200543 /nfs/dbraw/zinc/20/05/43/349200543.db2.gz ZYGDAMZGCXXZMF-FZMZJTMJSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCCc2[nH]ncc2C1 ZINC000597258044 350074284 /nfs/dbraw/zinc/07/42/84/350074284.db2.gz KLZKUURPYGVTET-ZZXKWVIFSA-N 1 2 298.346 2.780 20 5 CFBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCCc2[nH]ncc2C1 ZINC000597258044 350074288 /nfs/dbraw/zinc/07/42/88/350074288.db2.gz KLZKUURPYGVTET-ZZXKWVIFSA-N 1 2 298.346 2.780 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H]2CCCO2)ccc2c[nH+]ccc21 ZINC000599013599 350359067 /nfs/dbraw/zinc/35/90/67/350359067.db2.gz KZBSIUMAKVCVOL-NSHDSACASA-N 1 2 273.292 2.734 20 5 CFBDLO CCOCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599025194 350361114 /nfs/dbraw/zinc/36/11/14/350361114.db2.gz LWNQSTXFQYAKMM-UHFFFAOYSA-N 1 2 261.281 2.591 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599025997 350361423 /nfs/dbraw/zinc/36/14/23/350361423.db2.gz GTXTXDMMWKQRCZ-NSHDSACASA-N 1 2 287.319 2.982 20 5 CFBDLO O=[N+]([O-])c1c(NCC2CCOCC2)ccc2c[nH+]ccc21 ZINC000599033758 350362150 /nfs/dbraw/zinc/36/21/50/350362150.db2.gz BYNKDRAMGRFLMN-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@](O)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599044987 350364269 /nfs/dbraw/zinc/36/42/69/350364269.db2.gz WWMWPEODQDUWBK-OAHLLOKOSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1c(NCCOCC2CC2)ccc2c[nH+]ccc21 ZINC000599044511 350364629 /nfs/dbraw/zinc/36/46/29/350364629.db2.gz YKXCHZNCLIHTOR-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CO1 ZINC000599092951 350375399 /nfs/dbraw/zinc/37/53/99/350375399.db2.gz LDVCTXBXAIUOQU-KOLCDFICSA-N 1 2 273.292 2.732 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171393 350688075 /nfs/dbraw/zinc/68/80/75/350688075.db2.gz KYTNFWAYVBGLTH-VXNVDRBHSA-N 1 2 264.310 2.971 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000602516451 350911758 /nfs/dbraw/zinc/91/17/58/350911758.db2.gz MAZGLJQQJHZWIH-UHFFFAOYSA-N 1 2 273.292 2.750 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])sn1 ZINC000602438685 350882904 /nfs/dbraw/zinc/88/29/04/350882904.db2.gz HMUFRGBJLUXNOT-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])sn1 ZINC000602438685 350882905 /nfs/dbraw/zinc/88/29/05/350882905.db2.gz HMUFRGBJLUXNOT-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602895301 351059752 /nfs/dbraw/zinc/05/97/52/351059752.db2.gz BOEWVBNDDLKAFC-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602895301 351059754 /nfs/dbraw/zinc/05/97/54/351059754.db2.gz BOEWVBNDDLKAFC-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO Cc1cc(NC(C)(C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000603405594 351157614 /nfs/dbraw/zinc/15/76/14/351157614.db2.gz BFTPLDRKFQLTKR-UHFFFAOYSA-N 1 2 260.297 2.974 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000603407801 351158067 /nfs/dbraw/zinc/15/80/67/351158067.db2.gz XNSIALRQJZWSHQ-UHFFFAOYSA-N 1 2 260.297 2.974 20 5 CFBDLO CC(C)(Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000603406104 351158131 /nfs/dbraw/zinc/15/81/31/351158131.db2.gz GIGXJAKCYPQLAT-UHFFFAOYSA-N 1 2 281.703 2.714 20 5 CFBDLO COc1cc[nH+]cc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000431508607 383678717 /nfs/dbraw/zinc/67/87/17/383678717.db2.gz ZTGCYXSFDYVMEV-UHFFFAOYSA-N 1 2 294.698 2.659 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582259 351583738 /nfs/dbraw/zinc/58/37/38/351583738.db2.gz URPAKZIYWSFVJF-VIFPVBQESA-N 1 2 293.348 2.673 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582259 351583742 /nfs/dbraw/zinc/58/37/42/351583742.db2.gz URPAKZIYWSFVJF-VIFPVBQESA-N 1 2 293.348 2.673 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080145 351638400 /nfs/dbraw/zinc/63/84/00/351638400.db2.gz LZPSDXAQDZNBKR-SNVBAGLBSA-N 1 2 290.348 2.742 20 5 CFBDLO CCc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000611404328 351683977 /nfs/dbraw/zinc/68/39/77/351683977.db2.gz VDBBNOWDJGMEEU-SNVBAGLBSA-N 1 2 290.323 2.699 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)s1 ZINC000611370235 351675416 /nfs/dbraw/zinc/67/54/16/351675416.db2.gz HPDQEJUQVVIOKY-UHFFFAOYSA-N 1 2 278.337 2.965 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1[nH]cc[nH+]1 ZINC000616176534 352295648 /nfs/dbraw/zinc/29/56/48/352295648.db2.gz VBUCAZIIKGKYLL-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1ncc[nH]1 ZINC000616176534 352295650 /nfs/dbraw/zinc/29/56/50/352295650.db2.gz VBUCAZIIKGKYLL-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1ncc[nH]1 ZINC000616176534 352295654 /nfs/dbraw/zinc/29/56/54/352295654.db2.gz VBUCAZIIKGKYLL-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000618980251 352926062 /nfs/dbraw/zinc/92/60/62/352926062.db2.gz CTYFPUJAQRDJLT-LLVKDONJSA-N 1 2 291.332 2.709 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000271692097 191278447 /nfs/dbraw/zinc/27/84/47/191278447.db2.gz RPVRQIYAMAHUTF-QMMMGPOBSA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000271862100 191376293 /nfs/dbraw/zinc/37/62/93/191376293.db2.gz ZRTDJXOPJAAXLW-WDEREUQCSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1ccncc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297358273 200161896 /nfs/dbraw/zinc/16/18/96/200161896.db2.gz HHIFONBHMHYMCU-UHFFFAOYSA-N 1 2 299.330 2.561 20 5 CFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000301642134 201112308 /nfs/dbraw/zinc/11/23/08/201112308.db2.gz GURAJLKZUXHRSL-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184407482 189385024 /nfs/dbraw/zinc/38/50/24/189385024.db2.gz KAAYBKOQBIIAFH-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184407482 189385025 /nfs/dbraw/zinc/38/50/25/189385025.db2.gz KAAYBKOQBIIAFH-NSHDSACASA-N 1 2 272.308 2.578 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000330732041 203164570 /nfs/dbraw/zinc/16/45/70/203164570.db2.gz JFZFOEJXNFTGCI-AWEZNQCLSA-N 1 2 282.315 2.591 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000330732041 203164573 /nfs/dbraw/zinc/16/45/73/203164573.db2.gz JFZFOEJXNFTGCI-AWEZNQCLSA-N 1 2 282.315 2.591 20 5 CFBDLO COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459623117 245247822 /nfs/dbraw/zinc/24/78/22/245247822.db2.gz PVCQICICBPPTTM-UHFFFAOYSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459781066 245323218 /nfs/dbraw/zinc/32/32/18/245323218.db2.gz GZLLUJVNHDSPIY-GHMZBOCLSA-N 1 2 274.324 2.740 20 5 CFBDLO CN(C)c1ccc(NCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000036988736 372622697 /nfs/dbraw/zinc/62/26/97/372622697.db2.gz DSAUVNUBBTTZMO-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO C[C@@H]([NH2+]Cc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000041012476 372802694 /nfs/dbraw/zinc/80/26/94/372802694.db2.gz FKFIJNZEHLDRDQ-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000046863178 373064696 /nfs/dbraw/zinc/06/46/96/373064696.db2.gz KLKFBXMWFSDHLZ-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000046863178 373064710 /nfs/dbraw/zinc/06/47/10/373064710.db2.gz KLKFBXMWFSDHLZ-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491368860 246064166 /nfs/dbraw/zinc/06/41/66/246064166.db2.gz SLPVLCOAXBXXHK-DAXSKMNVSA-N 1 2 299.286 2.650 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000492256545 246233951 /nfs/dbraw/zinc/23/39/51/246233951.db2.gz BRYAOQXIUUSFSF-SREVYHEPSA-N 1 2 297.314 2.680 20 5 CFBDLO Cc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC000091437482 375051217 /nfs/dbraw/zinc/05/12/17/375051217.db2.gz FMFFAMMVCKSWIT-UHFFFAOYSA-N 1 2 277.349 2.958 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)c1 ZINC000094659375 375373551 /nfs/dbraw/zinc/37/35/51/375373551.db2.gz VLVLVQAYPZXYBR-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)cc[nH+]1 ZINC000101631087 375647968 /nfs/dbraw/zinc/64/79/68/375647968.db2.gz UTTDHEBEYVJDRN-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CC[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000115573197 376141294 /nfs/dbraw/zinc/14/12/94/376141294.db2.gz VDBYIMIAVDEPLC-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000115573197 376141304 /nfs/dbraw/zinc/14/13/04/376141304.db2.gz VDBYIMIAVDEPLC-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000131913877 377777682 /nfs/dbraw/zinc/77/76/82/377777682.db2.gz CBOSCFFEEMZLBF-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1NCc1cn2ccccc2[nH+]1 ZINC000132467114 377844745 /nfs/dbraw/zinc/84/47/45/377844745.db2.gz DKUGLZKKTYQVHC-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330558833 378583915 /nfs/dbraw/zinc/58/39/15/378583915.db2.gz AJROTDPBQFMUNI-GHMZBOCLSA-N 1 2 264.325 2.778 20 5 CFBDLO CSC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330444188 378557987 /nfs/dbraw/zinc/55/79/87/378557987.db2.gz GJOBZKCBSGQWBM-LLVKDONJSA-N 1 2 296.392 2.875 20 5 CFBDLO CSC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330444188 378557994 /nfs/dbraw/zinc/55/79/94/378557994.db2.gz GJOBZKCBSGQWBM-LLVKDONJSA-N 1 2 296.392 2.875 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2cncnc2C1 ZINC000332536905 378772361 /nfs/dbraw/zinc/77/23/61/378772361.db2.gz IWVQBAOYEKJSFG-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2cncnc2C1 ZINC000332536905 378772367 /nfs/dbraw/zinc/77/23/67/378772367.db2.gz IWVQBAOYEKJSFG-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cnccn1 ZINC000174643242 379922107 /nfs/dbraw/zinc/92/21/07/379922107.db2.gz AFYAMAUSWCPMPM-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cnccn1 ZINC000174643242 379922118 /nfs/dbraw/zinc/92/21/18/379922118.db2.gz AFYAMAUSWCPMPM-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC000181625451 380846075 /nfs/dbraw/zinc/84/60/75/380846075.db2.gz SLQOBKWLLFIHKO-SNVBAGLBSA-N 1 2 298.302 2.982 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182007904 380962481 /nfs/dbraw/zinc/96/24/81/380962481.db2.gz IZVQPECUHJALSR-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000182007904 380962488 /nfs/dbraw/zinc/96/24/88/380962488.db2.gz IZVQPECUHJALSR-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cscn2)c(Cl)c1 ZINC000183612303 381293512 /nfs/dbraw/zinc/29/35/12/381293512.db2.gz XADCRONMZCMYMU-UHFFFAOYSA-N 1 2 283.740 2.995 20 5 CFBDLO Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C)[nH+]1 ZINC000359394608 381391180 /nfs/dbraw/zinc/39/11/80/381391180.db2.gz SPCSVXNIMIFKFY-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(N)c2F)[nH+]1 ZINC000359852869 381642502 /nfs/dbraw/zinc/64/25/02/381642502.db2.gz ZOFRBAJXQOBXAM-UHFFFAOYSA-N 1 2 290.298 2.674 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349231280 381854764 /nfs/dbraw/zinc/85/47/64/381854764.db2.gz ACMNSBQPEMHADX-VHSXEESVSA-N 1 2 261.281 2.995 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccsc2)c(F)c1 ZINC000349563282 381959758 /nfs/dbraw/zinc/95/97/58/381959758.db2.gz HSSKENYBGURRBW-CYBMUJFWSA-N 1 2 296.323 2.619 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3cccc(F)c32)cc1 ZINC000373284258 381970150 /nfs/dbraw/zinc/97/01/50/381970150.db2.gz KQTJHZFOGNUZSA-ZDUSSCGKSA-N 1 2 288.278 2.957 20 5 CFBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299593437 381995658 /nfs/dbraw/zinc/99/56/58/381995658.db2.gz FFCFHYHUYCIXGJ-VIFPVBQESA-N 1 2 297.742 2.529 20 5 CFBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299593437 381995663 /nfs/dbraw/zinc/99/56/63/381995663.db2.gz FFCFHYHUYCIXGJ-VIFPVBQESA-N 1 2 297.742 2.529 20 5 CFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000293265286 382053966 /nfs/dbraw/zinc/05/39/66/382053966.db2.gz BOPWRDSJYPOHSS-RKDXNWHRSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000293265286 382053972 /nfs/dbraw/zinc/05/39/72/382053972.db2.gz BOPWRDSJYPOHSS-RKDXNWHRSA-N 1 2 297.742 2.527 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000301223395 382110599 /nfs/dbraw/zinc/11/05/99/382110599.db2.gz CAZPJBQMRPQEHC-UHFFFAOYSA-N 1 2 299.334 2.786 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301097252 382081029 /nfs/dbraw/zinc/08/10/29/382081029.db2.gz WHBYCHBFQSMAHH-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC=C(F)C1 ZINC000351975302 382101039 /nfs/dbraw/zinc/10/10/39/382101039.db2.gz OKESDONPJAQRTA-UHFFFAOYSA-N 1 2 250.273 2.962 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC=C(F)C1 ZINC000351975302 382101047 /nfs/dbraw/zinc/10/10/47/382101047.db2.gz OKESDONPJAQRTA-UHFFFAOYSA-N 1 2 250.273 2.962 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000352148008 382194988 /nfs/dbraw/zinc/19/49/88/382194988.db2.gz CPPORSJIFHVPQL-UHFFFAOYSA-N 1 2 294.257 2.868 20 5 CFBDLO Cc1cnc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420652821 382446916 /nfs/dbraw/zinc/44/69/16/382446916.db2.gz NDNCOLMJHXEKON-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO COC[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358204979 382504824 /nfs/dbraw/zinc/50/48/24/382504824.db2.gz QIVQOJRRJKMTCS-GFCCVEGCSA-N 1 2 266.341 2.542 20 5 CFBDLO COc1cnccc1[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189557780 382623970 /nfs/dbraw/zinc/62/39/70/382623970.db2.gz OCZXXKLDFAEHTI-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000190333557 382662722 /nfs/dbraw/zinc/66/27/22/382662722.db2.gz JMNCUJJJVLFQSZ-MRVPVSSYSA-N 1 2 279.325 2.506 20 5 CFBDLO CC[C@H](F)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000440772892 382880285 /nfs/dbraw/zinc/88/02/85/382880285.db2.gz DPYQRPIVRSJSCF-LBPRGKRZSA-N 1 2 252.289 2.701 20 5 CFBDLO CC[C@H](F)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000440772892 382880289 /nfs/dbraw/zinc/88/02/89/382880289.db2.gz DPYQRPIVRSJSCF-LBPRGKRZSA-N 1 2 252.289 2.701 20 5 CFBDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339087002 383144949 /nfs/dbraw/zinc/14/49/49/383144949.db2.gz SDEOABOLKQMAIZ-SECBINFHSA-N 1 2 293.348 2.916 20 5 CFBDLO Cc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000584540522 383111678 /nfs/dbraw/zinc/11/16/78/383111678.db2.gz BKJUSBAUKDSTOD-LLVKDONJSA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1[nH]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC000584540522 383111680 /nfs/dbraw/zinc/11/16/80/383111680.db2.gz BKJUSBAUKDSTOD-LLVKDONJSA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1ncc2c(n1)CC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000524759058 383382385 /nfs/dbraw/zinc/38/23/85/383382385.db2.gz WLAKCCNBDAUUCS-LLVKDONJSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ncc2c(n1)CC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000524759058 383382389 /nfs/dbraw/zinc/38/23/89/383382389.db2.gz WLAKCCNBDAUUCS-LLVKDONJSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc(C[N@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000488387026 383528636 /nfs/dbraw/zinc/52/86/36/383528636.db2.gz HONLJGMKMCAUBS-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000488387026 383528638 /nfs/dbraw/zinc/52/86/38/383528638.db2.gz HONLJGMKMCAUBS-LBPRGKRZSA-N 1 2 278.352 2.903 20 5 CFBDLO C[C@H](c1csnn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450976556 383575200 /nfs/dbraw/zinc/57/52/00/383575200.db2.gz QZSWGJYINIWONG-SNVBAGLBSA-N 1 2 292.364 2.682 20 5 CFBDLO C[C@H](c1csnn1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450976556 383575206 /nfs/dbraw/zinc/57/52/06/383575206.db2.gz QZSWGJYINIWONG-SNVBAGLBSA-N 1 2 292.364 2.682 20 5 CFBDLO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280937664 195037455 /nfs/dbraw/zinc/03/74/55/195037455.db2.gz VRMVOSNHCNWDTH-LBPRGKRZSA-N 1 2 289.335 2.574 20 5 CFBDLO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280937664 195037458 /nfs/dbraw/zinc/03/74/58/195037458.db2.gz VRMVOSNHCNWDTH-LBPRGKRZSA-N 1 2 289.335 2.574 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncccn1)CCC2 ZINC000573267360 383901529 /nfs/dbraw/zinc/90/15/29/383901529.db2.gz FUHMPJPCAGRZKV-AWEZNQCLSA-N 1 2 284.319 2.552 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000266884362 384253291 /nfs/dbraw/zinc/25/32/91/384253291.db2.gz BSBDXNCMGIWFOF-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000266884362 384253299 /nfs/dbraw/zinc/25/32/99/384253299.db2.gz BSBDXNCMGIWFOF-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000267037823 384283414 /nfs/dbraw/zinc/28/34/14/384283414.db2.gz OEMHKYPXNQQZOB-LSDHHAIUSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000267037823 384283424 /nfs/dbraw/zinc/28/34/24/384283424.db2.gz OEMHKYPXNQQZOB-LSDHHAIUSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1F ZINC000094774708 285113751 /nfs/dbraw/zinc/11/37/51/285113751.db2.gz XJUCJGYFKYIVJW-GJZGRUSLSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1F ZINC000094774708 285113752 /nfs/dbraw/zinc/11/37/52/285113752.db2.gz XJUCJGYFKYIVJW-GJZGRUSLSA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269841766 384879566 /nfs/dbraw/zinc/87/95/66/384879566.db2.gz CFYNQACLRSYXOP-CQSZACIVSA-N 1 2 298.346 2.989 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000352620890 285142614 /nfs/dbraw/zinc/14/26/14/285142614.db2.gz JHEWOZHIEYHZMF-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccccc1)CCO2 ZINC000352620890 285142615 /nfs/dbraw/zinc/14/26/15/285142615.db2.gz JHEWOZHIEYHZMF-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269898921 384898270 /nfs/dbraw/zinc/89/82/70/384898270.db2.gz YGMXYCYMNHZCNO-ZDUSSCGKSA-N 1 2 298.346 2.989 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCC3)c(F)c1 ZINC000270712011 385202128 /nfs/dbraw/zinc/20/21/28/385202128.db2.gz ZUKBPDOPIWYJIC-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCC3)c(F)c1 ZINC000270712011 385202137 /nfs/dbraw/zinc/20/21/37/385202137.db2.gz ZUKBPDOPIWYJIC-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000282470257 385320917 /nfs/dbraw/zinc/32/09/17/385320917.db2.gz KQLPTNMIYVRLEG-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C2CC2)O1 ZINC000282470257 385320921 /nfs/dbraw/zinc/32/09/21/385320921.db2.gz KQLPTNMIYVRLEG-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282599599 385350632 /nfs/dbraw/zinc/35/06/32/385350632.db2.gz XUUZBEJDWYIYJX-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282599599 385350636 /nfs/dbraw/zinc/35/06/36/385350636.db2.gz XUUZBEJDWYIYJX-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO COc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1[N+](=O)[O-] ZINC000282833443 385396427 /nfs/dbraw/zinc/39/64/27/385396427.db2.gz ZLORBWGSHGARTQ-JTQLQIEISA-N 1 2 291.307 2.751 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000272395505 385526671 /nfs/dbraw/zinc/52/66/71/385526671.db2.gz DGAAKHFJEVVMDZ-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000272395505 385526675 /nfs/dbraw/zinc/52/66/75/385526675.db2.gz DGAAKHFJEVVMDZ-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000286176361 385567074 /nfs/dbraw/zinc/56/70/74/385567074.db2.gz JBZRWGIXJKOBNV-UHFFFAOYSA-N 1 2 290.298 2.772 20 5 CFBDLO CSCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413154937 533565782 /nfs/dbraw/zinc/56/57/82/533565782.db2.gz LHYCPRUNBXUJGJ-UHFFFAOYSA-N 1 2 277.349 2.730 20 5 CFBDLO COc1cccc(NCCc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000413359028 533618691 /nfs/dbraw/zinc/61/86/91/533618691.db2.gz XCLWWOYCCFSDJS-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO CN(C)c1ccc(CNc2c(F)cccc2[N+](=O)[O-])c[nH+]1 ZINC000341745862 130017232 /nfs/dbraw/zinc/01/72/32/130017232.db2.gz ZXHWZIPFDWYHJG-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000191653133 130271108 /nfs/dbraw/zinc/27/11/08/130271108.db2.gz WCRXARDZEPBYPQ-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000191653133 130271110 /nfs/dbraw/zinc/27/11/10/130271110.db2.gz WCRXARDZEPBYPQ-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000264062655 131388789 /nfs/dbraw/zinc/38/87/89/131388789.db2.gz KTASDDLOMQCBQN-LBPRGKRZSA-N 1 2 292.364 2.727 20 5 CFBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cn1 ZINC000264062655 131388791 /nfs/dbraw/zinc/38/87/91/131388791.db2.gz KTASDDLOMQCBQN-LBPRGKRZSA-N 1 2 292.364 2.727 20 5 CFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000181773468 393501166 /nfs/dbraw/zinc/50/11/66/393501166.db2.gz OCZHAOGEFMEAFP-JTQLQIEISA-N 1 2 298.302 2.982 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccn1C ZINC000184664871 393530157 /nfs/dbraw/zinc/53/01/57/393530157.db2.gz JZFGFOQJSFNHLO-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO COc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000194801727 393717326 /nfs/dbraw/zinc/71/73/26/393717326.db2.gz CXNHBZLKXVHOBQ-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1ncccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443805 393798771 /nfs/dbraw/zinc/79/87/71/393798771.db2.gz BXJJJBXCJJWPHI-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ncccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443805 393798778 /nfs/dbraw/zinc/79/87/78/393798778.db2.gz BXJJJBXCJJWPHI-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000113941064 393899279 /nfs/dbraw/zinc/89/92/79/393899279.db2.gz UCBBVVJWSRGZGY-HNNXBMFYSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000113941064 393899282 /nfs/dbraw/zinc/89/92/82/393899282.db2.gz UCBBVVJWSRGZGY-HNNXBMFYSA-N 1 2 278.352 2.842 20 5 CFBDLO C[C@H](c1cccnc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707914 394018257 /nfs/dbraw/zinc/01/82/57/394018257.db2.gz DGTBGVUDKUJOQD-GFCCVEGCSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@H](c1cccnc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707914 394018262 /nfs/dbraw/zinc/01/82/62/394018262.db2.gz DGTBGVUDKUJOQD-GFCCVEGCSA-N 1 2 299.330 2.945 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC(F)(F)F ZINC000430208377 393967761 /nfs/dbraw/zinc/96/77/61/393967761.db2.gz OQWVRFUGAFGBGG-UHFFFAOYSA-N 1 2 292.257 2.988 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC(F)(F)F ZINC000430208377 393967765 /nfs/dbraw/zinc/96/77/65/393967765.db2.gz OQWVRFUGAFGBGG-UHFFFAOYSA-N 1 2 292.257 2.988 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000430209582 393969168 /nfs/dbraw/zinc/96/91/68/393969168.db2.gz RVDJTSCXIPDXSQ-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000430209582 393969171 /nfs/dbraw/zinc/96/91/71/393969171.db2.gz RVDJTSCXIPDXSQ-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000154884847 394304396 /nfs/dbraw/zinc/30/43/96/394304396.db2.gz AMCLWMVQPWPXPD-JTQLQIEISA-N 1 2 275.283 2.980 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000541775321 394683885 /nfs/dbraw/zinc/68/38/85/394683885.db2.gz XBAHPQDAFGXPPA-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C)ncc2C1 ZINC000541775321 394683892 /nfs/dbraw/zinc/68/38/92/394683892.db2.gz XBAHPQDAFGXPPA-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000547320919 394858332 /nfs/dbraw/zinc/85/83/32/394858332.db2.gz MDWPKKJLAFKBGU-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000547320919 394858335 /nfs/dbraw/zinc/85/83/35/394858335.db2.gz MDWPKKJLAFKBGU-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cnccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000556168931 394993357 /nfs/dbraw/zinc/99/33/57/394993357.db2.gz ZZLVPXZHXWOUNE-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1cnccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000556168931 394993358 /nfs/dbraw/zinc/99/33/58/394993358.db2.gz ZZLVPXZHXWOUNE-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000335822405 296513870 /nfs/dbraw/zinc/51/38/70/296513870.db2.gz ZMIBIEFAFYORRH-UHFFFAOYSA-N 1 2 268.263 2.826 20 5 CFBDLO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000418120699 397567969 /nfs/dbraw/zinc/56/79/69/397567969.db2.gz CNXKTTBHEFBQNG-MXWKQRLJSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000418120699 397567973 /nfs/dbraw/zinc/56/79/73/397567973.db2.gz CNXKTTBHEFBQNG-MXWKQRLJSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000365783018 156231111 /nfs/dbraw/zinc/23/11/11/156231111.db2.gz BUXCHFBIPXADGI-BXUZGUMPSA-N 1 2 286.335 2.521 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1c1ccccc1 ZINC000365783018 156231113 /nfs/dbraw/zinc/23/11/13/156231113.db2.gz BUXCHFBIPXADGI-BXUZGUMPSA-N 1 2 286.335 2.521 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000374919921 157174294 /nfs/dbraw/zinc/17/42/94/157174294.db2.gz WLXKQAWLDLCYPU-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000345352512 162233389 /nfs/dbraw/zinc/23/33/89/162233389.db2.gz JPHGRCBRRMYMOD-MWLCHTKSSA-N 1 2 258.281 2.909 20 5 CFBDLO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000345350556 162233855 /nfs/dbraw/zinc/23/38/55/162233855.db2.gz HVLUYBYGFXLPMH-GWCFXTLKSA-N 1 2 272.308 2.587 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccnn1C ZINC000350032010 163051279 /nfs/dbraw/zinc/05/12/79/163051279.db2.gz AAQCNNMQACSLBU-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccnn1C ZINC000350032010 163051282 /nfs/dbraw/zinc/05/12/82/163051282.db2.gz AAQCNNMQACSLBU-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000351878606 163209665 /nfs/dbraw/zinc/20/96/65/163209665.db2.gz DYCFXNLEWRYJAC-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000351878606 163209668 /nfs/dbraw/zinc/20/96/68/163209668.db2.gz DYCFXNLEWRYJAC-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000353036707 163293422 /nfs/dbraw/zinc/29/34/22/163293422.db2.gz HNJLNDSZQMUOSZ-LBPRGKRZSA-N 1 2 292.364 2.631 20 5 CFBDLO COCC1=CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285253945 196233832 /nfs/dbraw/zinc/23/38/32/196233832.db2.gz INQZFLLVWQJKKQ-UHFFFAOYSA-N 1 2 298.289 2.652 20 5 CFBDLO COCC1=CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285253945 196233834 /nfs/dbraw/zinc/23/38/34/196233834.db2.gz INQZFLLVWQJKKQ-UHFFFAOYSA-N 1 2 298.289 2.652 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000044692669 175234150 /nfs/dbraw/zinc/23/41/50/175234150.db2.gz ODKUYMFSCHFYSE-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330414510 287498283 /nfs/dbraw/zinc/49/82/83/287498283.db2.gz TXMJBTFUQSXKSL-BXKDBHETSA-N 1 2 250.298 2.579 20 5 CFBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000515349654 270369097 /nfs/dbraw/zinc/36/90/97/270369097.db2.gz BVWBPTAALJYOPO-JTQLQIEISA-N 1 2 282.365 2.800 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000515349654 270369099 /nfs/dbraw/zinc/36/90/99/270369099.db2.gz BVWBPTAALJYOPO-JTQLQIEISA-N 1 2 282.365 2.800 20 5 CFBDLO CCOC1CC([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347472299 276310145 /nfs/dbraw/zinc/31/01/45/276310145.db2.gz XGZVKYGIHRPUEW-UHFFFAOYSA-N 1 2 282.315 2.733 20 5 CFBDLO CCOC1CC([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000347472299 276310147 /nfs/dbraw/zinc/31/01/47/276310147.db2.gz XGZVKYGIHRPUEW-UHFFFAOYSA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC(F)(F)F)CCO2 ZINC000352675899 280370019 /nfs/dbraw/zinc/37/00/19/280370019.db2.gz GTDXPTATROQWMP-UHFFFAOYSA-N 1 2 290.241 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC(F)(F)F)CCO2 ZINC000352675899 280370020 /nfs/dbraw/zinc/37/00/20/280370020.db2.gz GTDXPTATROQWMP-UHFFFAOYSA-N 1 2 290.241 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(F)(F)C3)c2c1 ZINC000413232204 280371319 /nfs/dbraw/zinc/37/13/19/280371319.db2.gz UCXXWPVDDULFPG-UHFFFAOYSA-N 1 2 279.246 2.988 20 5 CFBDLO Cc1nc(NCc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000183980224 280823452 /nfs/dbraw/zinc/82/34/52/280823452.db2.gz ZKQGVIGXMZBGNR-UHFFFAOYSA-N 1 2 278.699 2.959 20 5 CFBDLO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330435199 281085014 /nfs/dbraw/zinc/08/50/14/281085014.db2.gz AQRPBKIAPWGTAJ-GWCFXTLKSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000492324046 281278384 /nfs/dbraw/zinc/27/83/84/281278384.db2.gz WUJPJMBRFHWXLA-BQYQJAHWSA-N 1 2 297.314 2.680 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c[nH+]1 ZINC000535036640 281495391 /nfs/dbraw/zinc/49/53/91/281495391.db2.gz XGDAYCLQJNWPFE-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ncccc1F ZINC000565371483 290297978 /nfs/dbraw/zinc/29/79/78/290297978.db2.gz DNMPNAJGRQRIBC-ZDUSSCGKSA-N 1 2 287.294 2.906 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000371825458 303018975 /nfs/dbraw/zinc/01/89/75/303018975.db2.gz UWQLAUKFBCIHSP-LLVKDONJSA-N 1 2 290.323 2.649 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000371825458 303018976 /nfs/dbraw/zinc/01/89/76/303018976.db2.gz UWQLAUKFBCIHSP-LLVKDONJSA-N 1 2 290.323 2.649 20 5 CFBDLO Cc1cc(N[C@@H]2CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581029449 325084732 /nfs/dbraw/zinc/08/47/32/325084732.db2.gz YOYBCSLESXHAKQ-QMTHXVAHSA-N 1 2 298.346 2.993 20 5 CFBDLO Cc1occc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414464363 534570256 /nfs/dbraw/zinc/57/02/56/534570256.db2.gz UEKVUPASXAABQK-UHFFFAOYSA-N 1 2 288.303 2.759 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000317324348 524966157 /nfs/dbraw/zinc/96/61/57/524966157.db2.gz ORUGAOGFPHAHOH-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000080268420 525465264 /nfs/dbraw/zinc/46/52/64/525465264.db2.gz VKTAKQVPQHZFIO-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(C2CC2)[nH+]1 ZINC000361315334 526113475 /nfs/dbraw/zinc/11/34/75/526113475.db2.gz UMCSOEWNYYEUKI-UHFFFAOYSA-N 1 2 298.346 2.647 20 5 CFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000505904035 536454476 /nfs/dbraw/zinc/45/44/76/536454476.db2.gz YQNUOTNXPGTFPX-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000505904035 536454479 /nfs/dbraw/zinc/45/44/79/536454479.db2.gz YQNUOTNXPGTFPX-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)c(F)c1 ZINC000042096810 527365749 /nfs/dbraw/zinc/36/57/49/527365749.db2.gz NQWQVFYRPAKRML-UHFFFAOYSA-N 1 2 276.271 2.653 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193855703 527401196 /nfs/dbraw/zinc/40/11/96/527401196.db2.gz CETUTTJVUMTHRO-LBPRGKRZSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193855703 527401202 /nfs/dbraw/zinc/40/12/02/527401202.db2.gz CETUTTJVUMTHRO-LBPRGKRZSA-N 1 2 286.335 2.698 20 5 CFBDLO CC(C)Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1F ZINC000413156630 528733611 /nfs/dbraw/zinc/73/36/11/528733611.db2.gz FVPLPAKOVXJHAH-UHFFFAOYSA-N 1 2 293.302 2.594 20 5 CFBDLO CCC[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413136726 529037614 /nfs/dbraw/zinc/03/76/14/529037614.db2.gz LGVMQOLZMUJVJL-GFCCVEGCSA-N 1 2 275.308 2.716 20 5 CFBDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746033108 574131840 /nfs/dbraw/zinc/13/18/40/574131840.db2.gz MWPAZWXEODMZGN-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO CC[N@H+](Cc1ccc(Cl)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746033108 574131842 /nfs/dbraw/zinc/13/18/42/574131842.db2.gz MWPAZWXEODMZGN-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO Cc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000747215830 574187555 /nfs/dbraw/zinc/18/75/55/574187555.db2.gz DFXLSDIIGDZSFV-ZDUSSCGKSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000742400881 574328306 /nfs/dbraw/zinc/32/83/06/574328306.db2.gz KWBNMKLDAUILHJ-LLVKDONJSA-N 1 2 290.298 2.772 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000735832013 574337552 /nfs/dbraw/zinc/33/75/52/574337552.db2.gz CAWWRJPCTICBCN-UHFFFAOYSA-N 1 2 266.688 2.608 20 5 CFBDLO Nc1ccnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000925765734 619076637 /nfs/dbraw/zinc/07/66/37/619076637.db2.gz DDERBIFPGNAWKQ-INIZCTEOSA-N 1 2 298.346 2.739 20 5 CFBDLO COc1cc([N+](=O)[O-])cnc1NCc1cc(C)[nH+]c(C)c1 ZINC000894240087 619276432 /nfs/dbraw/zinc/27/64/32/619276432.db2.gz QGCIZVRTAWZXAM-UHFFFAOYSA-N 1 2 288.307 2.622 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000929821126 623822801 /nfs/dbraw/zinc/82/28/01/623822801.db2.gz IZVQKRHOUJFBBN-LBPRGKRZSA-N 1 2 299.168 2.863 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000929821126 623822809 /nfs/dbraw/zinc/82/28/09/623822809.db2.gz IZVQKRHOUJFBBN-LBPRGKRZSA-N 1 2 299.168 2.863 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000839139092 626528393 /nfs/dbraw/zinc/52/83/93/626528393.db2.gz TVDBFDBTDIYEQB-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO Cc1noc(C[N@H+](C)CCc2ccccc2F)c1[N+](=O)[O-] ZINC000851766773 634515973 /nfs/dbraw/zinc/51/59/73/634515973.db2.gz MQKABSFOKCEICL-UHFFFAOYSA-N 1 2 293.298 2.705 20 5 CFBDLO Cc1noc(C[N@@H+](C)CCc2ccccc2F)c1[N+](=O)[O-] ZINC000851766773 634515977 /nfs/dbraw/zinc/51/59/77/634515977.db2.gz MQKABSFOKCEICL-UHFFFAOYSA-N 1 2 293.298 2.705 20 5 CFBDLO Cc1c(NC(=O)c2cccc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000770059604 627498969 /nfs/dbraw/zinc/49/89/69/627498969.db2.gz ZWVFXBNFLKUCCW-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO CC[N@@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859375 628414779 /nfs/dbraw/zinc/41/47/79/628414779.db2.gz UHRIVILDSSCKJG-UHFFFAOYSA-N 1 2 288.351 2.888 20 5 CFBDLO CC[N@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779859375 628414780 /nfs/dbraw/zinc/41/47/80/628414780.db2.gz UHRIVILDSSCKJG-UHFFFAOYSA-N 1 2 288.351 2.888 20 5 CFBDLO O=C(c1ccc(Cl)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054165 629284021 /nfs/dbraw/zinc/28/40/21/629284021.db2.gz YEOJJFXXORHHLR-UHFFFAOYSA-N 1 2 296.754 2.511 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(F)(F)CC1 ZINC000797521655 630076207 /nfs/dbraw/zinc/07/62/07/630076207.db2.gz YBNKSQUTLNSOOU-UHFFFAOYSA-N 1 2 286.278 2.835 20 5 CFBDLO Cc1cc(N)nc(SCc2cc(F)ccc2[N+](=O)[O-])[nH+]1 ZINC000042153361 649995753 /nfs/dbraw/zinc/99/57/53/649995753.db2.gz VENYHOWKDPXJTD-UHFFFAOYSA-N 1 2 294.311 2.707 20 5 CFBDLO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000815136088 632213639 /nfs/dbraw/zinc/21/36/39/632213639.db2.gz YGXRDUHDPXAGBV-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cc(N[C@@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])s1 ZINC000865927982 638662534 /nfs/dbraw/zinc/66/25/34/638662534.db2.gz MZLRAONUOUCHPK-SNVBAGLBSA-N 1 2 287.360 2.811 20 5 CFBDLO Cc1cc(N[C@@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])s1 ZINC000865927982 638662544 /nfs/dbraw/zinc/66/25/44/638662544.db2.gz MZLRAONUOUCHPK-SNVBAGLBSA-N 1 2 287.360 2.811 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091008 641624482 /nfs/dbraw/zinc/62/44/82/641624482.db2.gz DWDXTLJLDQLNNU-VHSXEESVSA-N 1 2 292.314 2.879 20 5 CFBDLO Cc1nnc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873101962 642013781 /nfs/dbraw/zinc/01/37/81/642013781.db2.gz IYALDKMHEICBRN-UHFFFAOYSA-N 1 2 292.364 2.661 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000880003487 644494811 /nfs/dbraw/zinc/49/48/11/644494811.db2.gz HWCPXWSZAXMEPO-JTQLQIEISA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000880003487 644494818 /nfs/dbraw/zinc/49/48/18/644494818.db2.gz HWCPXWSZAXMEPO-JTQLQIEISA-N 1 2 293.245 2.666 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886093562 646863881 /nfs/dbraw/zinc/86/38/81/646863881.db2.gz COLVQKAXMSINEC-AWEZNQCLSA-N 1 2 286.335 2.968 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886093562 646863884 /nfs/dbraw/zinc/86/38/84/646863884.db2.gz COLVQKAXMSINEC-AWEZNQCLSA-N 1 2 286.335 2.968 20 5 CFBDLO CC(C)([NH2+]CC[N+](=O)[O-])c1nc2cc(Cl)ccc2o1 ZINC000931381701 649417992 /nfs/dbraw/zinc/41/79/92/649417992.db2.gz CGQLEUWAZJELHS-UHFFFAOYSA-N 1 2 283.715 2.583 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933213467 649679708 /nfs/dbraw/zinc/67/97/08/649679708.db2.gz NUWIDDWEDHBVPP-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933213467 649679711 /nfs/dbraw/zinc/67/97/11/649679711.db2.gz NUWIDDWEDHBVPP-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO CCOc1cc(NCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001167619092 773190867 /nfs/dbraw/zinc/19/08/67/773190867.db2.gz UMJMKIOKSPNQKM-UHFFFAOYSA-N 1 2 288.307 2.583 20 5 CFBDLO CC[N@@H+](Cc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000123980354 776158250 /nfs/dbraw/zinc/15/82/50/776158250.db2.gz IKXAXMKBYNYJLD-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO CC[N@H+](Cc1cccc(Cl)c1)Cn1cc([N+](=O)[O-])cn1 ZINC000123980354 776158263 /nfs/dbraw/zinc/15/82/63/776158263.db2.gz IKXAXMKBYNYJLD-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO Cc1cc(C)c(OC2C[NH+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001228230117 776427696 /nfs/dbraw/zinc/42/76/96/776427696.db2.gz MLWYMMXCKRPLJS-UHFFFAOYSA-N 1 2 264.325 2.683 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(NCCCn2cc[nH+]c2)c1F ZINC001161688488 777554542 /nfs/dbraw/zinc/55/45/42/777554542.db2.gz UPQQAOIORJWAEJ-UHFFFAOYSA-N 1 2 278.287 2.741 20 5 CFBDLO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])sn1 ZINC000595286306 349590318 /nfs/dbraw/zinc/59/03/18/349590318.db2.gz BKFXSKCMWGQFDM-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])sn1 ZINC000595286306 349590321 /nfs/dbraw/zinc/59/03/21/349590321.db2.gz BKFXSKCMWGQFDM-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595292217 349592455 /nfs/dbraw/zinc/59/24/55/349592455.db2.gz VYMIEVGWHPNRKZ-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccccc2C)c1[N+](=O)[O-] ZINC000595292217 349592458 /nfs/dbraw/zinc/59/24/58/349592458.db2.gz VYMIEVGWHPNRKZ-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595292257 349592787 /nfs/dbraw/zinc/59/27/87/349592787.db2.gz XMVDVRICOWREBL-QMMMGPOBSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595292257 349592791 /nfs/dbraw/zinc/59/27/91/349592791.db2.gz XMVDVRICOWREBL-QMMMGPOBSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595375528 349612039 /nfs/dbraw/zinc/61/20/39/349612039.db2.gz RPFPQHCVHVFPRT-SNVBAGLBSA-N 1 2 291.307 2.790 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595375528 349612041 /nfs/dbraw/zinc/61/20/41/349612041.db2.gz RPFPQHCVHVFPRT-SNVBAGLBSA-N 1 2 291.307 2.790 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3ccsc3C2)c1[N+](=O)[O-] ZINC000595403745 349616786 /nfs/dbraw/zinc/61/67/86/349616786.db2.gz KNUBQGSFTYOKJG-UHFFFAOYSA-N 1 2 279.321 2.511 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3ccsc3C2)c1[N+](=O)[O-] ZINC000595403745 349616791 /nfs/dbraw/zinc/61/67/91/349616791.db2.gz KNUBQGSFTYOKJG-UHFFFAOYSA-N 1 2 279.321 2.511 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467569 349636122 /nfs/dbraw/zinc/63/61/22/349636122.db2.gz HXMJFLBWWYBVHS-HTQZYQBOSA-N 1 2 293.245 2.664 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467569 349636124 /nfs/dbraw/zinc/63/61/24/349636124.db2.gz HXMJFLBWWYBVHS-HTQZYQBOSA-N 1 2 293.245 2.664 20 5 CFBDLO CC[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000413292734 529497978 /nfs/dbraw/zinc/49/79/78/529497978.db2.gz AQIBNRNLOSDIFT-LBPRGKRZSA-N 1 2 275.308 2.980 20 5 CFBDLO COc1cc[nH+]cc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000431489279 383677168 /nfs/dbraw/zinc/67/71/68/383677168.db2.gz GNTJYQVPTJGLTD-UHFFFAOYSA-N 1 2 288.307 2.622 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCCF)c2c1 ZINC000596569678 349943963 /nfs/dbraw/zinc/94/39/63/349943963.db2.gz BTBQFQQCXIYZLQ-UHFFFAOYSA-N 1 2 279.271 2.541 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3ccc([N+](=O)[O-])cn3)cn2c1 ZINC000054836158 346578045 /nfs/dbraw/zinc/57/80/45/346578045.db2.gz INBDNKNARQZZDJ-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCCCCNc1cccc[nH+]1 ZINC000060369811 346663766 /nfs/dbraw/zinc/66/37/66/346663766.db2.gz UVUIKDWZWZAIOL-UHFFFAOYSA-N 1 2 287.323 2.689 20 5 CFBDLO O=[N+]([O-])c1cnccc1NCCCCNc1cccc[nH+]1 ZINC000060375369 346664490 /nfs/dbraw/zinc/66/44/90/346664490.db2.gz LFCPTMCCSLZGON-UHFFFAOYSA-N 1 2 287.323 2.689 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000088701472 347507119 /nfs/dbraw/zinc/50/71/19/347507119.db2.gz MVTMEWBLEQPBMM-GFCCVEGCSA-N 1 2 274.324 2.848 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)c1 ZINC000088698898 347507285 /nfs/dbraw/zinc/50/72/85/347507285.db2.gz ZQNSSTSDZFLQAQ-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000091454399 347586618 /nfs/dbraw/zinc/58/66/18/347586618.db2.gz BZBGSQYPLQRZRM-LLVKDONJSA-N 1 2 260.297 2.540 20 5 CFBDLO C[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000092540219 347631661 /nfs/dbraw/zinc/63/16/61/347631661.db2.gz GXXUQEJCPWNNND-NXEZZACHSA-N 1 2 282.365 2.626 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000092217577 347613031 /nfs/dbraw/zinc/61/30/31/347613031.db2.gz UJVLHSKZBIPMQE-UHFFFAOYSA-N 1 2 252.314 2.778 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000092217577 347613034 /nfs/dbraw/zinc/61/30/34/347613034.db2.gz UJVLHSKZBIPMQE-UHFFFAOYSA-N 1 2 252.314 2.778 20 5 CFBDLO C[C@@H]1SCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000093499501 347677862 /nfs/dbraw/zinc/67/78/62/347677862.db2.gz VOBPWDIHBRBTTM-UWVGGRQHSA-N 1 2 282.365 2.626 20 5 CFBDLO C[C@@H]1SCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000093499501 347677866 /nfs/dbraw/zinc/67/78/66/347677866.db2.gz VOBPWDIHBRBTTM-UWVGGRQHSA-N 1 2 282.365 2.626 20 5 CFBDLO CSC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093760616 347682949 /nfs/dbraw/zinc/68/29/49/347682949.db2.gz WQVQZSUTVGDRAZ-LLVKDONJSA-N 1 2 282.365 2.628 20 5 CFBDLO CSC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093760616 347682953 /nfs/dbraw/zinc/68/29/53/347682953.db2.gz WQVQZSUTVGDRAZ-LLVKDONJSA-N 1 2 282.365 2.628 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000404049122 348589209 /nfs/dbraw/zinc/58/92/09/348589209.db2.gz IKXIZOLTUGLCHD-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000404049122 348589212 /nfs/dbraw/zinc/58/92/12/348589212.db2.gz IKXIZOLTUGLCHD-GWCFXTLKSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1nccnc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598679644 350308990 /nfs/dbraw/zinc/30/89/90/350308990.db2.gz XUWAEHDMQAGQMI-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccnc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000598679644 350308993 /nfs/dbraw/zinc/30/89/93/350308993.db2.gz XUWAEHDMQAGQMI-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccnc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598679148 350309268 /nfs/dbraw/zinc/30/92/68/350309268.db2.gz QFXUPRYGMYSXBG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccnc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598679148 350309270 /nfs/dbraw/zinc/30/92/70/350309270.db2.gz QFXUPRYGMYSXBG-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO C[C@H](O)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067081 350368876 /nfs/dbraw/zinc/36/88/76/350368876.db2.gz XTOQSSHQAHURLZ-UWVGGRQHSA-N 1 2 275.308 2.714 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2CCC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599026408 350360949 /nfs/dbraw/zinc/36/09/49/350360949.db2.gz WVTPPEJRTGRADZ-NWDGAFQWSA-N 1 2 287.319 2.858 20 5 CFBDLO CC(C)(CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599053002 350366765 /nfs/dbraw/zinc/36/67/65/350366765.db2.gz CKGDSYXLHCOZAV-UHFFFAOYSA-N 1 2 289.335 2.964 20 5 CFBDLO O=[N+]([O-])c1c(NCC[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599065816 350368973 /nfs/dbraw/zinc/36/89/73/350368973.db2.gz OFDZTYGHPSNKNZ-LLVKDONJSA-N 1 2 287.319 2.982 20 5 CFBDLO CC1(C)[C@@H](O)C[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071984 350370870 /nfs/dbraw/zinc/37/08/70/350370870.db2.gz VUHSXDFTUZXDFZ-STQMWFEESA-N 1 2 287.319 2.714 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H]2CC[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599079455 350371528 /nfs/dbraw/zinc/37/15/28/350371528.db2.gz KUMZBRJQZVVXOK-ZYHUDNBSSA-N 1 2 287.319 2.716 20 5 CFBDLO O=[N+]([O-])c1c(NCCOCCF)ccc2c[nH+]ccc21 ZINC000599112241 350377311 /nfs/dbraw/zinc/37/73/11/350377311.db2.gz WXKJTEXIGABQBT-UHFFFAOYSA-N 1 2 279.271 2.541 20 5 CFBDLO Cc1noc(C[N@H+]2CCC(F)(F)C[C@H]2C)c1[N+](=O)[O-] ZINC000599628423 350466968 /nfs/dbraw/zinc/46/69/68/350466968.db2.gz SZZWVLRAEFNCLH-SSDOTTSWSA-N 1 2 275.255 2.511 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC(F)(F)C[C@H]2C)c1[N+](=O)[O-] ZINC000599628423 350466969 /nfs/dbraw/zinc/46/69/69/350466969.db2.gz SZZWVLRAEFNCLH-SSDOTTSWSA-N 1 2 275.255 2.511 20 5 CFBDLO Cc1noc(C[N@H+]2CCC(F)(F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000599628425 350467260 /nfs/dbraw/zinc/46/72/60/350467260.db2.gz SZZWVLRAEFNCLH-ZETCQYMHSA-N 1 2 275.255 2.511 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1[N+](=O)[O-] ZINC000599628425 350467263 /nfs/dbraw/zinc/46/72/63/350467263.db2.gz SZZWVLRAEFNCLH-ZETCQYMHSA-N 1 2 275.255 2.511 20 5 CFBDLO CC[C@H](CO)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600787897 350611313 /nfs/dbraw/zinc/61/13/13/350611313.db2.gz HMTFZCBOGSNLBN-CYBMUJFWSA-N 1 2 287.319 2.840 20 5 CFBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602436929 350880962 /nfs/dbraw/zinc/88/09/62/350880962.db2.gz OYQCHKJAOUDJCU-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602436929 350880965 /nfs/dbraw/zinc/88/09/65/350880965.db2.gz OYQCHKJAOUDJCU-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CCF)CC1 ZINC000602734570 351006555 /nfs/dbraw/zinc/00/65/55/351006555.db2.gz RPUAPRRHOZYLCB-UHFFFAOYSA-N 1 2 282.315 2.872 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cs1 ZINC000602883135 351056875 /nfs/dbraw/zinc/05/68/75/351056875.db2.gz WQADRSUFXADBAJ-LLVKDONJSA-N 1 2 278.337 2.717 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cs1 ZINC000602883135 351056877 /nfs/dbraw/zinc/05/68/77/351056877.db2.gz WQADRSUFXADBAJ-LLVKDONJSA-N 1 2 278.337 2.717 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccns1 ZINC000602883535 351057207 /nfs/dbraw/zinc/05/72/07/351057207.db2.gz NQOIRWOUMMCDFR-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccns1 ZINC000602883535 351057209 /nfs/dbraw/zinc/05/72/09/351057209.db2.gz NQOIRWOUMMCDFR-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884556 351058362 /nfs/dbraw/zinc/05/83/62/351058362.db2.gz BXGCBYWFADRDRW-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602884556 351058366 /nfs/dbraw/zinc/05/83/66/351058366.db2.gz BXGCBYWFADRDRW-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602940052 351070051 /nfs/dbraw/zinc/07/00/51/351070051.db2.gz DNLRMVPAQLHQLN-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602940052 351070053 /nfs/dbraw/zinc/07/00/53/351070053.db2.gz DNLRMVPAQLHQLN-NSHDSACASA-N 1 2 274.324 2.819 20 5 CFBDLO CC(C)(Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000603406956 351158155 /nfs/dbraw/zinc/15/81/55/351158155.db2.gz ODEYBVKYEPZXFU-UHFFFAOYSA-N 1 2 281.703 2.714 20 5 CFBDLO CC(C)(Nc1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000603406585 351158478 /nfs/dbraw/zinc/15/84/78/351158478.db2.gz LCOJEXPCQNWLCU-UHFFFAOYSA-N 1 2 264.260 2.804 20 5 CFBDLO COCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000603425696 351161642 /nfs/dbraw/zinc/16/16/42/351161642.db2.gz XGCJNWCLVIWMEA-JTQLQIEISA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ncccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000609964560 351528785 /nfs/dbraw/zinc/52/87/85/351528785.db2.gz VMECDSVSVQRTBK-UHFFFAOYSA-N 1 2 282.259 2.968 20 5 CFBDLO COc1ccc(NCC=Cc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000610890305 351619045 /nfs/dbraw/zinc/61/90/45/351619045.db2.gz AQQVBFKNJHAASK-XQRVVYSFSA-N 1 2 285.303 2.546 20 5 CFBDLO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611794037 351741293 /nfs/dbraw/zinc/74/12/93/351741293.db2.gz JKYCXJNQMWQXIL-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611794037 351741296 /nfs/dbraw/zinc/74/12/96/351741296.db2.gz JKYCXJNQMWQXIL-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473069 191158959 /nfs/dbraw/zinc/15/89/59/191158959.db2.gz JHQUQCRKUALLSS-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357150 352333900 /nfs/dbraw/zinc/33/39/00/352333900.db2.gz WGABYDMVFRCOIU-JTQLQIEISA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292128210 198173613 /nfs/dbraw/zinc/17/36/13/198173613.db2.gz LAEHRXPFMLRVMR-UHFFFAOYSA-N 1 2 292.364 2.780 20 5 CFBDLO CC(C)([NH2+]Cc1ccno1)c1ccccc1[N+](=O)[O-] ZINC000292191577 198196884 /nfs/dbraw/zinc/19/68/84/198196884.db2.gz RNQJGEYLSWIHIC-UHFFFAOYSA-N 1 2 261.281 2.608 20 5 CFBDLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296540200 199925863 /nfs/dbraw/zinc/92/58/63/199925863.db2.gz DZSOAXZIWWGYOC-VHSXEESVSA-N 1 2 290.323 2.952 20 5 CFBDLO COC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccco1 ZINC000177572897 189058044 /nfs/dbraw/zinc/05/80/44/189058044.db2.gz KJWYMRURAMOEAV-SNVBAGLBSA-N 1 2 282.321 2.727 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180437351 189255142 /nfs/dbraw/zinc/25/51/42/189255142.db2.gz NIRQGKDIITZENV-SNVBAGLBSA-N 1 2 290.323 2.952 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000301661303 201120317 /nfs/dbraw/zinc/12/03/17/201120317.db2.gz XPLJSHSMVOWXJJ-OAHLLOKOSA-N 1 2 285.303 2.648 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000446058789 241266007 /nfs/dbraw/zinc/26/60/07/241266007.db2.gz GOHDQNQNUHWEJV-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000446058789 241266011 /nfs/dbraw/zinc/26/60/11/241266011.db2.gz GOHDQNQNUHWEJV-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](F)C1 ZINC000449387198 241891266 /nfs/dbraw/zinc/89/12/66/241891266.db2.gz KVWDYOLJBKNBOL-KTLBGCOUSA-N 1 2 250.273 2.652 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](F)C1 ZINC000449387198 241891271 /nfs/dbraw/zinc/89/12/71/241891271.db2.gz KVWDYOLJBKNBOL-KTLBGCOUSA-N 1 2 250.273 2.652 20 5 CFBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2nccn21 ZINC000449569092 242040153 /nfs/dbraw/zinc/04/01/53/242040153.db2.gz GEFBOWUPTQKOND-RNCFNFMXSA-N 1 2 290.298 2.726 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330691808 203123532 /nfs/dbraw/zinc/12/35/32/203123532.db2.gz BKVGBEILBQQULB-HNNXBMFYSA-N 1 2 278.352 2.760 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330691808 203123534 /nfs/dbraw/zinc/12/35/34/203123534.db2.gz BKVGBEILBQQULB-HNNXBMFYSA-N 1 2 278.352 2.760 20 5 CFBDLO CCOC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459611684 245241566 /nfs/dbraw/zinc/24/15/66/245241566.db2.gz BBSGTSNHUSQRQN-SOFGYWHQSA-N 1 2 276.336 2.719 20 5 CFBDLO C[C@H]([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000041012375 372801651 /nfs/dbraw/zinc/80/16/51/372801651.db2.gz LYQFUZURQMJKAW-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC000041010684 372803350 /nfs/dbraw/zinc/80/33/50/372803350.db2.gz MVOVKAFZNBMKFA-UHFFFAOYSA-N 1 2 269.351 2.711 20 5 CFBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000068475317 374030791 /nfs/dbraw/zinc/03/07/91/374030791.db2.gz CFDMMGDGFWVCFM-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000068475317 374030795 /nfs/dbraw/zinc/03/07/95/374030795.db2.gz CFDMMGDGFWVCFM-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000112532177 375928207 /nfs/dbraw/zinc/92/82/07/375928207.db2.gz UJGIIFBLFCVSCT-BDAKNGLRSA-N 1 2 276.296 2.698 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000341169413 296240201 /nfs/dbraw/zinc/24/02/01/296240201.db2.gz WZOXORTWDZFVBZ-GZMMTYOYSA-N 1 2 292.257 2.511 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000341169413 296240203 /nfs/dbraw/zinc/24/02/03/296240203.db2.gz WZOXORTWDZFVBZ-GZMMTYOYSA-N 1 2 292.257 2.511 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000131978761 377787737 /nfs/dbraw/zinc/78/77/37/377787737.db2.gz YQROFXOLFJLDEB-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000131978761 377787743 /nfs/dbraw/zinc/78/77/43/377787743.db2.gz YQROFXOLFJLDEB-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000135615977 378149947 /nfs/dbraw/zinc/14/99/47/378149947.db2.gz IABHMWMTSXQNQW-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000135615977 378149953 /nfs/dbraw/zinc/14/99/53/378149953.db2.gz IABHMWMTSXQNQW-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000571795643 383728103 /nfs/dbraw/zinc/72/81/03/383728103.db2.gz JMUZLVAIRORYGO-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000571795643 383728107 /nfs/dbraw/zinc/72/81/07/383728107.db2.gz JMUZLVAIRORYGO-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000155097793 378611472 /nfs/dbraw/zinc/61/14/72/378611472.db2.gz OFPJAQIJTOQZAZ-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000332201187 378736103 /nfs/dbraw/zinc/73/61/03/378736103.db2.gz CGAUEQYHOUJXND-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000332201187 378736107 /nfs/dbraw/zinc/73/61/07/378736107.db2.gz CGAUEQYHOUJXND-SNVBAGLBSA-N 1 2 282.365 2.628 20 5 CFBDLO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000332454588 378764693 /nfs/dbraw/zinc/76/46/93/378764693.db2.gz OAEFFNQVFLBEDB-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000332454588 378764695 /nfs/dbraw/zinc/76/46/95/378764695.db2.gz OAEFFNQVFLBEDB-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000171690837 379373795 /nfs/dbraw/zinc/37/37/95/379373795.db2.gz AVYGVOPWRLSBTJ-MRVPVSSYSA-N 1 2 258.368 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000171690837 379373801 /nfs/dbraw/zinc/37/38/01/379373801.db2.gz AVYGVOPWRLSBTJ-MRVPVSSYSA-N 1 2 258.368 2.594 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000171914264 379436620 /nfs/dbraw/zinc/43/66/20/379436620.db2.gz YKJZZUIVVYNFLC-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCSCC1 ZINC000175097631 379995387 /nfs/dbraw/zinc/99/53/87/379995387.db2.gz PQNXIIUWKKPSSH-UHFFFAOYSA-N 1 2 282.365 2.542 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000175179186 380013005 /nfs/dbraw/zinc/01/30/05/380013005.db2.gz KPCLBENHGWKSIY-NSHDSACASA-N 1 2 296.392 2.931 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCS[C@@H](C)C1 ZINC000175179186 380013011 /nfs/dbraw/zinc/01/30/11/380013011.db2.gz KPCLBENHGWKSIY-NSHDSACASA-N 1 2 296.392 2.931 20 5 CFBDLO COc1cc[nH+]cc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000341353246 380959100 /nfs/dbraw/zinc/95/91/00/380959100.db2.gz KWZLHISFMLCVCI-UHFFFAOYSA-N 1 2 278.239 2.717 20 5 CFBDLO Cc1cnc(NCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000295677365 381011931 /nfs/dbraw/zinc/01/19/31/381011931.db2.gz GPZLFUFLNPJLQC-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279302074 194376732 /nfs/dbraw/zinc/37/67/32/194376732.db2.gz MHSXTMPNBIUBGP-IAQYHMDHSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279302074 194376734 /nfs/dbraw/zinc/37/67/34/194376734.db2.gz MHSXTMPNBIUBGP-IAQYHMDHSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279302077 194376738 /nfs/dbraw/zinc/37/67/38/194376738.db2.gz MHSXTMPNBIUBGP-NHYWBVRUSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279302077 194376740 /nfs/dbraw/zinc/37/67/40/194376740.db2.gz MHSXTMPNBIUBGP-NHYWBVRUSA-N 1 2 276.336 2.594 20 5 CFBDLO Cc1ccc[nH+]c1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000295786124 381073930 /nfs/dbraw/zinc/07/39/30/381073930.db2.gz RCVHKXDFCIGETC-UHFFFAOYSA-N 1 2 298.346 2.921 20 5 CFBDLO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1COC1 ZINC000295956670 381180317 /nfs/dbraw/zinc/18/03/17/381180317.db2.gz HLWDSGQKEPTCAI-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1COC1 ZINC000295956670 381180323 /nfs/dbraw/zinc/18/03/23/381180323.db2.gz HLWDSGQKEPTCAI-UHFFFAOYSA-N 1 2 284.743 2.857 20 5 CFBDLO C[C@@]1(F)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000296115132 381260584 /nfs/dbraw/zinc/26/05/84/381260584.db2.gz SPRPIEMWNRTMSE-LLVKDONJSA-N 1 2 258.318 2.980 20 5 CFBDLO C[C@@]1(F)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000296115132 381260588 /nfs/dbraw/zinc/26/05/88/381260588.db2.gz SPRPIEMWNRTMSE-LLVKDONJSA-N 1 2 258.318 2.980 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CCN2Cc1cn2ccccc2[nH+]1 ZINC000183629073 381298044 /nfs/dbraw/zinc/29/80/44/381298044.db2.gz PZMZFWVYYJYUQO-UHFFFAOYSA-N 1 2 294.314 2.805 20 5 CFBDLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000342339348 381285117 /nfs/dbraw/zinc/28/51/17/381285117.db2.gz ORSDZRPARWIDFV-LBPRGKRZSA-N 1 2 286.335 2.852 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000342655953 381461688 /nfs/dbraw/zinc/46/16/88/381461688.db2.gz HPAIBOLYKQBJIQ-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000342655953 381461695 /nfs/dbraw/zinc/46/16/95/381461695.db2.gz HPAIBOLYKQBJIQ-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc([N+](=O)[O-])c1 ZINC000355293708 381732450 /nfs/dbraw/zinc/73/24/50/381732450.db2.gz UWKNNRAUKRVAPQ-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000349404661 381924033 /nfs/dbraw/zinc/92/40/33/381924033.db2.gz GEWFQWLWHXKRSV-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(O)cc1 ZINC000349404661 381924039 /nfs/dbraw/zinc/92/40/39/381924039.db2.gz GEWFQWLWHXKRSV-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO Cc1ccc(CCNc2nccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000301305402 382143515 /nfs/dbraw/zinc/14/35/15/382143515.db2.gz UJGRRLBMLHALTH-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@H](CNc1sccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000301929189 382200202 /nfs/dbraw/zinc/20/02/02/382200202.db2.gz JECPCHXKKMTLOX-SECBINFHSA-N 1 2 266.326 2.601 20 5 CFBDLO CC[C@@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000357694036 382281686 /nfs/dbraw/zinc/28/16/86/382281686.db2.gz GGVMTMCREXCIPF-SNVBAGLBSA-N 1 2 275.312 2.893 20 5 CFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302777084 382314424 /nfs/dbraw/zinc/31/44/24/382314424.db2.gz PERYYKVGXZSLKX-UHFFFAOYSA-N 1 2 292.726 2.862 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000420651019 382444949 /nfs/dbraw/zinc/44/49/49/382444949.db2.gz JBWXOMDCTFPYPS-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358231870 382516161 /nfs/dbraw/zinc/51/61/61/382516161.db2.gz UKNVNVWCNRZAFL-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1cccc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000218873817 382791049 /nfs/dbraw/zinc/79/10/49/382791049.db2.gz MWHLRMRXIWIACV-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO O=[N+]([O-])c1cccc(SCCCn2cc[nH+]c2)c1 ZINC000337766155 382863244 /nfs/dbraw/zinc/86/32/44/382863244.db2.gz SQROOVSVGOLZTJ-UHFFFAOYSA-N 1 2 263.322 2.974 20 5 CFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000535066555 382948149 /nfs/dbraw/zinc/94/81/49/382948149.db2.gz RAVQTJLDFSRLBB-JTQLQIEISA-N 1 2 290.323 2.567 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000339060096 383136409 /nfs/dbraw/zinc/13/64/09/383136409.db2.gz SPIADOKBYACCAI-LLVKDONJSA-N 1 2 262.309 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000339060096 383136410 /nfs/dbraw/zinc/13/64/10/383136410.db2.gz SPIADOKBYACCAI-LLVKDONJSA-N 1 2 262.309 2.532 20 5 CFBDLO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003187 383117277 /nfs/dbraw/zinc/11/72/77/383117277.db2.gz FXEYDZXNRZMBNF-NXEZZACHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003187 383117286 /nfs/dbraw/zinc/11/72/86/383117286.db2.gz FXEYDZXNRZMBNF-NXEZZACHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000339131849 383160718 /nfs/dbraw/zinc/16/07/18/383160718.db2.gz GERHUVXZSIAIGV-LBPRGKRZSA-N 1 2 250.298 2.531 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000339131849 383160721 /nfs/dbraw/zinc/16/07/21/383160721.db2.gz GERHUVXZSIAIGV-LBPRGKRZSA-N 1 2 250.298 2.531 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000431407717 383668205 /nfs/dbraw/zinc/66/82/05/383668205.db2.gz QKCBCCHEVUNAGE-UHFFFAOYSA-N 1 2 273.292 2.919 20 5 CFBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436213113 383789239 /nfs/dbraw/zinc/78/92/39/383789239.db2.gz WZNZLHNTLHOIOU-UHFFFAOYSA-N 1 2 297.318 2.673 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)[nH+]c1 ZINC000266967742 384271971 /nfs/dbraw/zinc/27/19/71/384271971.db2.gz KMMUDPDPMYLRBD-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Cc1[nH]ncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278663258 384592680 /nfs/dbraw/zinc/59/26/80/384592680.db2.gz IVSMNVNARDFGSV-HNNXBMFYSA-N 1 2 286.335 2.794 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364039336 285162655 /nfs/dbraw/zinc/16/26/55/285162655.db2.gz XOXRJGQHSYTTMA-LBPRGKRZSA-N 1 2 258.281 2.659 20 5 CFBDLO COc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1[N+](=O)[O-] ZINC000282833447 385396523 /nfs/dbraw/zinc/39/65/23/385396523.db2.gz ZLORBWGSHGARTQ-SNVBAGLBSA-N 1 2 291.307 2.751 20 5 CFBDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000284002718 385523874 /nfs/dbraw/zinc/52/38/74/385523874.db2.gz MOWPOMDEPGYDAP-UHFFFAOYSA-N 1 2 290.323 2.620 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000276537581 385989361 /nfs/dbraw/zinc/98/93/61/385989361.db2.gz ILOSYEANIUFTCW-NWDGAFQWSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000276537581 385989366 /nfs/dbraw/zinc/98/93/66/385989366.db2.gz ILOSYEANIUFTCW-NWDGAFQWSA-N 1 2 276.336 2.875 20 5 CFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276971008 386095946 /nfs/dbraw/zinc/09/59/46/386095946.db2.gz WWRFFMLRTAPEKZ-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276971008 386095953 /nfs/dbraw/zinc/09/59/53/386095953.db2.gz WWRFFMLRTAPEKZ-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000355350394 130285746 /nfs/dbraw/zinc/28/57/46/130285746.db2.gz BXHNWWOEFOKSCK-CQSZACIVSA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000355350394 130285747 /nfs/dbraw/zinc/28/57/47/130285747.db2.gz BXHNWWOEFOKSCK-CQSZACIVSA-N 1 2 298.314 2.546 20 5 CFBDLO Cn1c[nH+]cc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000268509718 132019515 /nfs/dbraw/zinc/01/95/15/132019515.db2.gz ZLOWLQVNMPPGKG-UHFFFAOYSA-N 1 2 298.249 2.542 20 5 CFBDLO O=[N+]([O-])c1ccc(COCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000181041679 393489088 /nfs/dbraw/zinc/48/90/88/393489088.db2.gz CIKNSIAXOHFUEQ-UHFFFAOYSA-N 1 2 267.672 2.688 20 5 CFBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000181776185 393501443 /nfs/dbraw/zinc/50/14/43/393501443.db2.gz DMDIMBSYXHTNFO-JTQLQIEISA-N 1 2 275.283 2.980 20 5 CFBDLO CCc1cc(NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000048738496 393597799 /nfs/dbraw/zinc/59/77/99/393597799.db2.gz RGGYYOPVJVALIV-UHFFFAOYSA-N 1 2 258.281 2.656 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000194986620 393727146 /nfs/dbraw/zinc/72/71/46/393727146.db2.gz MXVDFUALLGWEIA-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000194986620 393727149 /nfs/dbraw/zinc/72/71/49/393727149.db2.gz MXVDFUALLGWEIA-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C)[nH+]1 ZINC000119073894 393913977 /nfs/dbraw/zinc/91/39/77/393913977.db2.gz JTLCAPZZKAGEPB-UHFFFAOYSA-N 1 2 277.305 2.920 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430203508 393967906 /nfs/dbraw/zinc/96/79/06/393967906.db2.gz OJIXPSXVVIFIHG-AWEZNQCLSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430203508 393967910 /nfs/dbraw/zinc/96/79/10/393967910.db2.gz OJIXPSXVVIFIHG-AWEZNQCLSA-N 1 2 294.351 2.604 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000451114497 394358754 /nfs/dbraw/zinc/35/87/54/394358754.db2.gz MBWVMDPWLPWLJV-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000451114497 394358757 /nfs/dbraw/zinc/35/87/57/394358757.db2.gz MBWVMDPWLPWLJV-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000182697183 292295862 /nfs/dbraw/zinc/29/58/62/292295862.db2.gz FCPCOZOHKMCJIR-ZDUSSCGKSA-N 1 2 289.379 2.744 20 5 CFBDLO Cc1cnc(N[C@@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343255049 154156618 /nfs/dbraw/zinc/15/66/18/154156618.db2.gz UIOLRKQIAXORGJ-GFCCVEGCSA-N 1 2 287.323 2.595 20 5 CFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343280038 154166349 /nfs/dbraw/zinc/16/63/49/154166349.db2.gz ZMLXIJBQJRVDLS-ZDUSSCGKSA-N 1 2 272.308 2.892 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351873576 163208403 /nfs/dbraw/zinc/20/84/03/163208403.db2.gz HDVSWCOELYTACL-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351873576 163208406 /nfs/dbraw/zinc/20/84/06/163208406.db2.gz HDVSWCOELYTACL-CQSZACIVSA-N 1 2 294.351 2.614 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352771297 163231511 /nfs/dbraw/zinc/23/15/11/163231511.db2.gz NYLALASEZRQHSE-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352771297 163231512 /nfs/dbraw/zinc/23/15/12/163231512.db2.gz NYLALASEZRQHSE-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000353338484 163348663 /nfs/dbraw/zinc/34/86/63/163348663.db2.gz UWBWWYIENDFKBU-GWCFXTLKSA-N 1 2 289.339 2.525 20 5 CFBDLO CC[C@@H]([NH2+][C@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000037017022 172878201 /nfs/dbraw/zinc/87/82/01/172878201.db2.gz JYWLFRGRELZGIS-ZWNOBZJWSA-N 1 2 289.339 2.525 20 5 CFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285687684 196366775 /nfs/dbraw/zinc/36/67/75/196366775.db2.gz OFJMDPWEJLUWCH-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285687684 196366777 /nfs/dbraw/zinc/36/67/77/196366777.db2.gz OFJMDPWEJLUWCH-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1nccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000038037266 174037868 /nfs/dbraw/zinc/03/78/68/174037868.db2.gz GNBGQHJEGPDADN-JTQLQIEISA-N 1 2 272.308 2.544 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000072064564 176311944 /nfs/dbraw/zinc/31/19/44/176311944.db2.gz STGGIYSWBAXIOD-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000087355230 260131544 /nfs/dbraw/zinc/13/15/44/260131544.db2.gz YNMGAGAAVFSJBA-UHFFFAOYSA-N 1 2 285.303 2.870 20 5 CFBDLO Cc1ccnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450827485 274818897 /nfs/dbraw/zinc/81/88/97/274818897.db2.gz IADIZCRIHBSROA-UWVGGRQHSA-N 1 2 273.296 2.613 20 5 CFBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000177520549 278337997 /nfs/dbraw/zinc/33/79/97/278337997.db2.gz PVHAAJSJOJWYGS-UHFFFAOYSA-N 1 2 272.395 2.984 20 5 CFBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000177520549 278337999 /nfs/dbraw/zinc/33/79/99/278337999.db2.gz PVHAAJSJOJWYGS-UHFFFAOYSA-N 1 2 272.395 2.984 20 5 CFBDLO C[C@@H]1COCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413258745 278852902 /nfs/dbraw/zinc/85/29/02/278852902.db2.gz FRHBUXGMQIAYFM-YGRLFVJLSA-N 1 2 287.319 2.980 20 5 CFBDLO Cc1c[nH]nc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356056318 280282240 /nfs/dbraw/zinc/28/22/40/280282240.db2.gz MEVNFRHDOFAXLZ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1c[nH]nc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356056318 280282241 /nfs/dbraw/zinc/28/22/41/280282241.db2.gz MEVNFRHDOFAXLZ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1cn[nH]c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356056318 280282242 /nfs/dbraw/zinc/28/22/42/280282242.db2.gz MEVNFRHDOFAXLZ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1cn[nH]c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356056318 280282243 /nfs/dbraw/zinc/28/22/43/280282243.db2.gz MEVNFRHDOFAXLZ-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000446071538 288219986 /nfs/dbraw/zinc/21/99/86/288219986.db2.gz JSCBBOAZRJHHHE-UTUOFQBUSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000446071538 288219987 /nfs/dbraw/zinc/21/99/87/288219987.db2.gz JSCBBOAZRJHHHE-UTUOFQBUSA-N 1 2 264.325 2.593 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374773484 280360594 /nfs/dbraw/zinc/36/05/94/280360594.db2.gz AKKVNBSUUCZLTO-LLVKDONJSA-N 1 2 276.271 2.799 20 5 CFBDLO CC(C)c1[nH+]ccn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436473523 280681120 /nfs/dbraw/zinc/68/11/20/280681120.db2.gz GQMBLMNGVKYDLV-UHFFFAOYSA-N 1 2 261.281 2.669 20 5 CFBDLO CCc1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000224009316 280933971 /nfs/dbraw/zinc/93/39/71/280933971.db2.gz CROMUAFNOMFTMD-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000393326692 281192796 /nfs/dbraw/zinc/19/27/96/281192796.db2.gz RRIBUVLLYYCEFV-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000535036658 281495496 /nfs/dbraw/zinc/49/54/96/281495496.db2.gz XPRHBWJXMHYROQ-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456460 288350579 /nfs/dbraw/zinc/35/05/79/288350579.db2.gz PDMCQCPKCKCWAM-JQWIXIFHSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456460 288350581 /nfs/dbraw/zinc/35/05/81/288350581.db2.gz PDMCQCPKCKCWAM-JQWIXIFHSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1noc([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000565841681 290329512 /nfs/dbraw/zinc/32/95/12/290329512.db2.gz IAYSVWVAJNFYES-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000565841681 290329516 /nfs/dbraw/zinc/32/95/16/290329516.db2.gz IAYSVWVAJNFYES-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000568327443 290547303 /nfs/dbraw/zinc/54/73/03/290547303.db2.gz AOWMXUSSDMNVHU-UHFFFAOYSA-N 1 2 260.215 2.589 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000332631127 301867254 /nfs/dbraw/zinc/86/72/54/301867254.db2.gz OYPOGWOEQPADJL-GFCCVEGCSA-N 1 2 286.335 2.677 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCSCC1 ZINC000163320843 322375292 /nfs/dbraw/zinc/37/52/92/322375292.db2.gz IULWWKMAOINRDO-UHFFFAOYSA-N 1 2 272.757 2.797 20 5 CFBDLO Cc1cnc([C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580392753 325031454 /nfs/dbraw/zinc/03/14/54/325031454.db2.gz HOGITSSOKFGBQF-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cnc([C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000580392753 325031455 /nfs/dbraw/zinc/03/14/55/325031455.db2.gz HOGITSSOKFGBQF-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000582484687 325208511 /nfs/dbraw/zinc/20/85/11/325208511.db2.gz MEDNLESSRGCCAC-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000582484687 325208514 /nfs/dbraw/zinc/20/85/14/325208514.db2.gz MEDNLESSRGCCAC-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO Cc1ccc(CCNc2ncc(C)cc2[N+](=O)[O-])[nH+]c1 ZINC000413347384 533809917 /nfs/dbraw/zinc/80/99/17/533809917.db2.gz AJHTZVZXBXSILY-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCC3CC3)c2c1 ZINC000413128390 534884753 /nfs/dbraw/zinc/88/47/53/534884753.db2.gz DBAYFFNGCDYGEG-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CO)CCC3)c2c1 ZINC000413238378 534885153 /nfs/dbraw/zinc/88/51/53/534885153.db2.gz SHQRDYYHHXKDRD-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCOC3)c2c1 ZINC000413077772 534885245 /nfs/dbraw/zinc/88/52/45/534885245.db2.gz SAIWAHMAXAKVAR-JTQLQIEISA-N 1 2 273.292 2.591 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414558568 534887291 /nfs/dbraw/zinc/88/72/91/534887291.db2.gz SMNBQPRRIFVFDJ-UHFFFAOYSA-N 1 2 290.348 2.614 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3ccc([N+](=O)[O-])nc3)cn2c1 ZINC000340111567 526249541 /nfs/dbraw/zinc/24/95/41/526249541.db2.gz MLASVAPZKUGNPX-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080409 574347090 /nfs/dbraw/zinc/34/70/90/574347090.db2.gz AGFCOGNNDBAOJO-SMDDNHRTSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080409 574347093 /nfs/dbraw/zinc/34/70/93/574347093.db2.gz AGFCOGNNDBAOJO-SMDDNHRTSA-N 1 2 292.335 2.683 20 5 CFBDLO CCC1(CC)C[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCS1 ZINC000767479036 625317028 /nfs/dbraw/zinc/31/70/28/625317028.db2.gz MBVAXHHVHNLSBE-UHFFFAOYSA-N 1 2 298.412 2.665 20 5 CFBDLO CCC1(CC)C[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)CCS1 ZINC000767479036 625317036 /nfs/dbraw/zinc/31/70/36/625317036.db2.gz MBVAXHHVHNLSBE-UHFFFAOYSA-N 1 2 298.412 2.665 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000896659892 619782569 /nfs/dbraw/zinc/78/25/69/619782569.db2.gz NPVDWAPERNKZAA-UHFFFAOYSA-N 1 2 290.298 2.513 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1C)C2 ZINC000896660732 619782739 /nfs/dbraw/zinc/78/27/39/619782739.db2.gz SENCKROZCZJBQC-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1cc(C)ccc1[N+](=O)[O-])C2 ZINC000896661057 619782745 /nfs/dbraw/zinc/78/27/45/619782745.db2.gz YDSKBWRZWILLMR-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO C[C@H](CNc1cc(CO)cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000896794619 619820461 /nfs/dbraw/zinc/82/04/61/619820461.db2.gz UDKMLHWCTKWXCI-LLVKDONJSA-N 1 2 287.319 2.698 20 5 CFBDLO COc1cc([C@H](C)[NH2+]Cc2cc(C)no2)cc([N+](=O)[O-])c1 ZINC000903091609 621256901 /nfs/dbraw/zinc/25/69/01/621256901.db2.gz XMLJADJAJMNQGP-JTQLQIEISA-N 1 2 291.307 2.751 20 5 CFBDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000904004077 621504772 /nfs/dbraw/zinc/50/47/72/621504772.db2.gz OPAPBNMZJMIUOW-CYBMUJFWSA-N 1 2 296.298 2.512 20 5 CFBDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000904004077 621504773 /nfs/dbraw/zinc/50/47/73/621504773.db2.gz OPAPBNMZJMIUOW-CYBMUJFWSA-N 1 2 296.298 2.512 20 5 CFBDLO CCc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000834898944 625914396 /nfs/dbraw/zinc/91/43/96/625914396.db2.gz COPVKYOULQHIEG-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO CCc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)co1 ZINC000834899481 625914699 /nfs/dbraw/zinc/91/46/99/625914699.db2.gz HRPPUCRVZJAXOI-SNVBAGLBSA-N 1 2 275.308 2.996 20 5 CFBDLO CN(C)c1cc(COc2ccc([N+](=O)[O-])c(F)c2)cc[nH+]1 ZINC000762475399 626918134 /nfs/dbraw/zinc/91/81/34/626918134.db2.gz PHZIGTBYHQUMFW-UHFFFAOYSA-N 1 2 291.282 2.774 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccoc2)CC1 ZINC000768162354 627321622 /nfs/dbraw/zinc/32/16/22/627321622.db2.gz CIDRFDRXZJACEW-UHFFFAOYSA-N 1 2 287.319 2.510 20 5 CFBDLO CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835097054 629399361 /nfs/dbraw/zinc/39/93/61/629399361.db2.gz GTHXGHNKWKQEBT-JTQLQIEISA-N 1 2 289.291 2.736 20 5 CFBDLO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC(F)(F)CC2)c1 ZINC000794685553 629675087 /nfs/dbraw/zinc/67/50/87/629675087.db2.gz JVLCTKVUVVJVMR-UHFFFAOYSA-N 1 2 296.277 2.633 20 5 CFBDLO C[C@H](CC(=O)OCc1csc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000845279213 632401005 /nfs/dbraw/zinc/40/10/05/632401005.db2.gz AUMDUBZQEREIPM-SECBINFHSA-N 1 2 295.320 2.547 20 5 CFBDLO Cc1[nH]c(CNCc2cc([N+](=O)[O-])ccc2Cl)[nH+]c1C ZINC000850184295 633877778 /nfs/dbraw/zinc/87/77/78/633877778.db2.gz OOEINMXXPFOHED-UHFFFAOYSA-N 1 2 294.742 2.878 20 5 CFBDLO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062410 641594271 /nfs/dbraw/zinc/59/42/71/641594271.db2.gz MNBPVUKJXUXINS-SECBINFHSA-N 1 2 298.314 2.536 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000872091007 641624637 /nfs/dbraw/zinc/62/46/37/641624637.db2.gz DWDXTLJLDQLNNU-UWVGGRQHSA-N 1 2 292.314 2.879 20 5 CFBDLO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000872129849 641657971 /nfs/dbraw/zinc/65/79/71/641657971.db2.gz ZUOKCTIBBKRLDL-PWSUYJOCSA-N 1 2 272.308 2.587 20 5 CFBDLO CCC[C@@H]([NH2+]Cc1nonc1C)c1cccc([N+](=O)[O-])c1 ZINC000872136349 641664938 /nfs/dbraw/zinc/66/49/38/641664938.db2.gz MUYWVRPIPCSNLM-CYBMUJFWSA-N 1 2 290.323 2.917 20 5 CFBDLO CCC[C@H]([NH2+]Cc1nonc1C)c1cccc([N+](=O)[O-])c1 ZINC000872136350 641664981 /nfs/dbraw/zinc/66/49/81/641664981.db2.gz MUYWVRPIPCSNLM-ZDUSSCGKSA-N 1 2 290.323 2.917 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000878523740 643926858 /nfs/dbraw/zinc/92/68/58/643926858.db2.gz HUKJMQCWKICHAC-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000878523740 643926860 /nfs/dbraw/zinc/92/68/60/643926860.db2.gz HUKJMQCWKICHAC-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878879144 644059015 /nfs/dbraw/zinc/05/90/15/644059015.db2.gz RZEUIGFPGJJSHO-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878879144 644059016 /nfs/dbraw/zinc/05/90/16/644059016.db2.gz RZEUIGFPGJJSHO-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452372 649430187 /nfs/dbraw/zinc/43/01/87/649430187.db2.gz JHOWYLQQKBYERK-QWRGUYRKSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931452372 649430189 /nfs/dbraw/zinc/43/01/89/649430189.db2.gz JHOWYLQQKBYERK-QWRGUYRKSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458565 649431922 /nfs/dbraw/zinc/43/19/22/649431922.db2.gz IHFVFAWATINNNX-GHMZBOCLSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458565 649431924 /nfs/dbraw/zinc/43/19/24/649431924.db2.gz IHFVFAWATINNNX-GHMZBOCLSA-N 1 2 286.335 2.998 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933213468 649679986 /nfs/dbraw/zinc/67/99/86/649679986.db2.gz NUWIDDWEDHBVPP-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933213468 649679989 /nfs/dbraw/zinc/67/99/89/649679989.db2.gz NUWIDDWEDHBVPP-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1ccc(OC2C[NH+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001230143256 776955408 /nfs/dbraw/zinc/95/54/08/776955408.db2.gz IEEBBDURHDAKHI-UHFFFAOYSA-N 1 2 264.325 2.765 20 5 CFBDLO Cc1cc([N+](=O)[O-])c(C)cc1OC1C[NH+](C(C)C)C1 ZINC001230724484 777051788 /nfs/dbraw/zinc/05/17/88/777051788.db2.gz WYAMAVWLPMHEGL-UHFFFAOYSA-N 1 2 264.325 2.683 20 5 CFBDLO C[N@H+](CCn1cccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000128041606 778473290 /nfs/dbraw/zinc/47/32/90/778473290.db2.gz IMBDRNXLRSQRBN-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@@H+](CCn1cccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000128041606 778473295 /nfs/dbraw/zinc/47/32/95/778473295.db2.gz IMBDRNXLRSQRBN-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000046477827 778838624 /nfs/dbraw/zinc/83/86/24/778838624.db2.gz ZAFIWXKZJCFGEW-UHFFFAOYSA-N 1 2 279.321 2.924 20 5 CFBDLO C[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000046477827 778838629 /nfs/dbraw/zinc/83/86/29/778838629.db2.gz ZAFIWXKZJCFGEW-UHFFFAOYSA-N 1 2 279.321 2.924 20 5 CFBDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000594710121 349478485 /nfs/dbraw/zinc/47/84/85/349478485.db2.gz IKCSLIVOMGWNKV-OUJBWJOFSA-N 1 2 287.323 2.543 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NCc1[nH+]ccn1C ZINC000124767402 187152706 /nfs/dbraw/zinc/15/27/06/187152706.db2.gz PKRDEUTYYILPKV-UHFFFAOYSA-N 1 2 260.297 2.557 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595293022 349594008 /nfs/dbraw/zinc/59/40/08/349594008.db2.gz WHMKETQNTMSDAR-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000595293022 349594011 /nfs/dbraw/zinc/59/40/11/349594011.db2.gz WHMKETQNTMSDAR-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO C[C@@H]1[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000595347458 349607495 /nfs/dbraw/zinc/60/74/95/349607495.db2.gz PSFBPENDKDKFNI-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000595347458 349607499 /nfs/dbraw/zinc/60/74/99/349607499.db2.gz PSFBPENDKDKFNI-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000595413718 349618969 /nfs/dbraw/zinc/61/89/69/349618969.db2.gz GEYMQBDHMQTNRH-SECBINFHSA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595616374 349677002 /nfs/dbraw/zinc/67/70/02/349677002.db2.gz BMJNABMOGUQTMT-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595616374 349677004 /nfs/dbraw/zinc/67/70/04/349677004.db2.gz BMJNABMOGUQTMT-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO CC[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413102467 529513140 /nfs/dbraw/zinc/51/31/40/529513140.db2.gz FBCYLJHYBYDRDL-CQSZACIVSA-N 1 2 275.308 2.716 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1=CCSC1 ZINC000595895479 349764408 /nfs/dbraw/zinc/76/44/08/349764408.db2.gz NZWMPECNXCUYPR-UHFFFAOYSA-N 1 2 270.379 2.761 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1=CCSC1 ZINC000595895479 349764413 /nfs/dbraw/zinc/76/44/13/349764413.db2.gz NZWMPECNXCUYPR-UHFFFAOYSA-N 1 2 270.379 2.761 20 5 CFBDLO CC12CC(C1)C[N@@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595918523 349768901 /nfs/dbraw/zinc/76/89/01/349768901.db2.gz FEEPAAHWBYKWBF-UHFFFAOYSA-N 1 2 268.263 2.857 20 5 CFBDLO CC12CC(C1)C[N@H+]2Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595918523 349768903 /nfs/dbraw/zinc/76/89/03/349768903.db2.gz FEEPAAHWBYKWBF-UHFFFAOYSA-N 1 2 268.263 2.857 20 5 CFBDLO C[C@@]12COC[C@H]1CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596481503 349915144 /nfs/dbraw/zinc/91/51/44/349915144.db2.gz YGDQXZXGWLMCPP-MLGOLLRUSA-N 1 2 299.330 2.616 20 5 CFBDLO C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000596543172 349936591 /nfs/dbraw/zinc/93/65/91/349936591.db2.gz MJNAUUXBWYDSHX-ZETCQYMHSA-N 1 2 282.250 2.780 20 5 CFBDLO O=[N+]([O-])c1sccc1NCc1cn2ccccc2[nH+]1 ZINC000049056606 346478905 /nfs/dbraw/zinc/47/89/05/346478905.db2.gz FSZMZVMLOCIQRR-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO O=[N+]([O-])c1sccc1NCCNc1cccc[nH+]1 ZINC000049056633 346479156 /nfs/dbraw/zinc/47/91/56/346479156.db2.gz JEZSZMHQWJUMDK-UHFFFAOYSA-N 1 2 264.310 2.575 20 5 CFBDLO C[C@H](CNc1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000060380122 346664355 /nfs/dbraw/zinc/66/43/55/346664355.db2.gz PWQCMOLIWFFCHA-LLVKDONJSA-N 1 2 260.297 2.540 20 5 CFBDLO Cc1c(C[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000064248185 346716614 /nfs/dbraw/zinc/71/66/14/346716614.db2.gz RGRZLOLBFPHSJP-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000064248185 346716618 /nfs/dbraw/zinc/71/66/18/346716618.db2.gz RGRZLOLBFPHSJP-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000064350082 346718472 /nfs/dbraw/zinc/71/84/72/346718472.db2.gz AAHVJZAVQNOVJT-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000064350082 346718474 /nfs/dbraw/zinc/71/84/74/346718474.db2.gz AAHVJZAVQNOVJT-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1ccn2cc(CNc3ncc([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000076666061 347147157 /nfs/dbraw/zinc/14/71/57/347147157.db2.gz ORMVCCBPUBXOIZ-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N(C)C ZINC000080570479 347366461 /nfs/dbraw/zinc/36/64/61/347366461.db2.gz JXHLMCPISKWGEL-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CC[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091929147 347603711 /nfs/dbraw/zinc/60/37/11/347603711.db2.gz IKGZAGFAKOOQLK-JTQLQIEISA-N 1 2 250.298 2.532 20 5 CFBDLO CC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091929147 347603716 /nfs/dbraw/zinc/60/37/16/347603716.db2.gz IKGZAGFAKOOQLK-JTQLQIEISA-N 1 2 250.298 2.532 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506146 347591155 /nfs/dbraw/zinc/59/11/55/347591155.db2.gz TVSNNVAMCMJVJQ-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092586116 347633629 /nfs/dbraw/zinc/63/36/29/347633629.db2.gz CUDXDUFSIBAROS-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092586116 347633634 /nfs/dbraw/zinc/63/36/34/347633634.db2.gz CUDXDUFSIBAROS-LLVKDONJSA-N 1 2 264.325 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+](CC1CC1)CC1CC1 ZINC000093480031 347674924 /nfs/dbraw/zinc/67/49/24/347674924.db2.gz YVSYMGRTGPGRFB-UHFFFAOYSA-N 1 2 276.336 2.922 20 5 CFBDLO CCCC[N@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093322967 347668902 /nfs/dbraw/zinc/66/89/02/347668902.db2.gz SNFMCYBXYCLDLG-UHFFFAOYSA-N 1 2 282.340 2.549 20 5 CFBDLO CCCC[N@@H+](CCOC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093322967 347668904 /nfs/dbraw/zinc/66/89/04/347668904.db2.gz SNFMCYBXYCLDLG-UHFFFAOYSA-N 1 2 282.340 2.549 20 5 CFBDLO CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000086507317 179302936 /nfs/dbraw/zinc/30/29/36/179302936.db2.gz VHNQXLAHXRZRTN-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000086507317 179302938 /nfs/dbraw/zinc/30/29/38/179302938.db2.gz VHNQXLAHXRZRTN-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO Cc1cccc(CCNc2ncc([N+](=O)[O-])cc2C)[nH+]1 ZINC000280470934 348341367 /nfs/dbraw/zinc/34/13/67/348341367.db2.gz MYTMZNCJFJUFGL-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COc1cccc(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000281423311 348342416 /nfs/dbraw/zinc/34/24/16/348342416.db2.gz IVJSYYZFCBTSTK-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1NCCCCn1cc[nH+]c1 ZINC000312373018 348418025 /nfs/dbraw/zinc/41/80/25/348418025.db2.gz LECZAZXIQJCCDF-UHFFFAOYSA-N 1 2 278.287 2.823 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000312619983 348419472 /nfs/dbraw/zinc/41/94/72/348419472.db2.gz WJTRMJQHYRTKRI-JTQLQIEISA-N 1 2 275.283 2.980 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCC[C@@H]3O)c2c1 ZINC000413165685 233026950 /nfs/dbraw/zinc/02/69/50/233026950.db2.gz JAMAKYBXRSLZCN-RISCZKNCSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCc1cn(C)c[nH+]1 ZINC000413376932 233062412 /nfs/dbraw/zinc/06/24/12/233062412.db2.gz CGJCRPZQCWJJMZ-UHFFFAOYSA-N 1 2 294.742 2.945 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC2)CC1 ZINC000590169328 348881835 /nfs/dbraw/zinc/88/18/35/348881835.db2.gz PHMVLULUMWADPF-UHFFFAOYSA-N 1 2 262.309 2.676 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1[nH]cc[nH+]1 ZINC000590600418 348914437 /nfs/dbraw/zinc/91/44/37/348914437.db2.gz OHOODZWBMPGWHT-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061485 349198789 /nfs/dbraw/zinc/19/87/89/349198789.db2.gz CCHIDBPDSJWILT-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061485 349198790 /nfs/dbraw/zinc/19/87/90/349198790.db2.gz CCHIDBPDSJWILT-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1nccnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000598638560 350299146 /nfs/dbraw/zinc/29/91/46/350299146.db2.gz NUQYSAVUZIWIMK-JTQLQIEISA-N 1 2 272.308 2.544 20 5 CFBDLO C[C@H](CCCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063098 350367959 /nfs/dbraw/zinc/36/79/59/350367959.db2.gz WMVWKHIFAQMPKI-SNVBAGLBSA-N 1 2 275.308 2.716 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H]2CCCO2)ccc2c[nH+]ccc21 ZINC000599013597 350358990 /nfs/dbraw/zinc/35/89/90/350358990.db2.gz KZBSIUMAKVCVOL-LLVKDONJSA-N 1 2 273.292 2.734 20 5 CFBDLO CC[C@@H](C)[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043489 350363530 /nfs/dbraw/zinc/36/35/30/350363530.db2.gz MXUFTRAVFVXEQQ-YGRLFVJLSA-N 1 2 289.335 2.962 20 5 CFBDLO CC1(C)[C@H](O)C[C@@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071983 350370962 /nfs/dbraw/zinc/37/09/62/350370962.db2.gz VUHSXDFTUZXDFZ-QWHCGFSZSA-N 1 2 287.319 2.714 20 5 CFBDLO C/C=C/C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599081460 350372458 /nfs/dbraw/zinc/37/24/58/350372458.db2.gz LITQBEBKXDSXMS-XGACYXMMSA-N 1 2 286.335 2.583 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000599100289 350376085 /nfs/dbraw/zinc/37/60/85/350376085.db2.gz LXLNDQOWWZLRSQ-ZDUSSCGKSA-N 1 2 298.346 2.996 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]2COC[C@H]2C1 ZINC000599110344 350377289 /nfs/dbraw/zinc/37/72/89/350377289.db2.gz RPQPOXNHJPSGAP-CHWSQXEVSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600203936 350538159 /nfs/dbraw/zinc/53/81/59/350538159.db2.gz GNGYRGZXWFNILV-KQIUPUNMSA-N 1 2 294.326 2.668 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](CCF)C1 ZINC000600203936 350538164 /nfs/dbraw/zinc/53/81/64/350538164.db2.gz GNGYRGZXWFNILV-KQIUPUNMSA-N 1 2 294.326 2.668 20 5 CFBDLO CC(C)N(C)c1ccc(-c2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000600789003 350612112 /nfs/dbraw/zinc/61/21/12/350612112.db2.gz OWVANCBUZYRNHS-UHFFFAOYSA-N 1 2 272.308 2.896 20 5 CFBDLO Cc1ncc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000601149201 350682112 /nfs/dbraw/zinc/68/21/12/350682112.db2.gz GSPFBBZRVKWZDQ-MRVPVSSYSA-N 1 2 293.348 2.916 20 5 CFBDLO CCOc1cc(N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111048479 186347995 /nfs/dbraw/zinc/34/79/95/186347995.db2.gz BSGJIPGFJPZCCJ-LLVKDONJSA-N 1 2 290.323 2.691 20 5 CFBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602436931 350881801 /nfs/dbraw/zinc/88/18/01/350881801.db2.gz OYQCHKJAOUDJCU-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602436931 350881804 /nfs/dbraw/zinc/88/18/04/350881804.db2.gz OYQCHKJAOUDJCU-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO COc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000602439311 350882795 /nfs/dbraw/zinc/88/27/95/350882795.db2.gz KPAYSKQAVMZZLA-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000602439311 350882797 /nfs/dbraw/zinc/88/27/97/350882797.db2.gz KPAYSKQAVMZZLA-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768876 351019418 /nfs/dbraw/zinc/01/94/18/351019418.db2.gz ZAPYTUPZPNPPPC-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768876 351019420 /nfs/dbraw/zinc/01/94/20/351019420.db2.gz ZAPYTUPZPNPPPC-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602940036 351069700 /nfs/dbraw/zinc/06/97/00/351069700.db2.gz DNLRMVPAQLHQLN-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602940036 351069702 /nfs/dbraw/zinc/06/97/02/351069702.db2.gz DNLRMVPAQLHQLN-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602940237 351070040 /nfs/dbraw/zinc/07/00/40/351070040.db2.gz DUOLNEQFBKIVKF-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602940237 351070044 /nfs/dbraw/zinc/07/00/44/351070044.db2.gz DUOLNEQFBKIVKF-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000603868025 351187937 /nfs/dbraw/zinc/18/79/37/351187937.db2.gz IYMHBTFURADVMR-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOc2ccccc2C1 ZINC000603868025 351187940 /nfs/dbraw/zinc/18/79/40/351187940.db2.gz IYMHBTFURADVMR-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132936 351486845 /nfs/dbraw/zinc/48/68/45/351486845.db2.gz XBNQTPRXIVEVDO-GFCCVEGCSA-N 1 2 272.308 2.633 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C/c2c[nH+]c3ccccn23)nc1 ZINC000610648497 351587294 /nfs/dbraw/zinc/58/72/94/351587294.db2.gz PEPPMASKXJGXQW-GQCTYLIASA-N 1 2 266.260 2.808 20 5 CFBDLO C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000610726418 351598789 /nfs/dbraw/zinc/59/87/89/351598789.db2.gz IDVBLBPSLLFDAI-CMPLNLGQSA-N 1 2 292.364 2.940 20 5 CFBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000120450524 186900145 /nfs/dbraw/zinc/90/01/45/186900145.db2.gz WOYVEPHOMBLEOL-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180599 351649782 /nfs/dbraw/zinc/64/97/82/351649782.db2.gz LWWZYISETCKULX-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO COc1ccc(NCC=Cc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000610890304 351618975 /nfs/dbraw/zinc/61/89/75/351618975.db2.gz AQQVBFKNJHAASK-GQCTYLIASA-N 1 2 285.303 2.546 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2ccco2)CC1 ZINC000611411330 351685117 /nfs/dbraw/zinc/68/51/17/351685117.db2.gz GHIGAIUJFAHZCT-UHFFFAOYSA-N 1 2 293.348 2.572 20 5 CFBDLO Cc1cccn2cc(CNc3cccnc3[N+](=O)[O-])[nH+]c12 ZINC000611372783 351675985 /nfs/dbraw/zinc/67/59/85/351675985.db2.gz NOIKHMNOAXYUAP-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000614408606 352090636 /nfs/dbraw/zinc/09/06/36/352090636.db2.gz PZRFSLIRLOZELY-NHYWBVRUSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C2CC2)C1 ZINC000614408606 352090640 /nfs/dbraw/zinc/09/06/40/352090640.db2.gz PZRFSLIRLOZELY-NHYWBVRUSA-N 1 2 276.336 2.767 20 5 CFBDLO CCc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000619747730 353062789 /nfs/dbraw/zinc/06/27/89/353062789.db2.gz ZGMJVYWBYGRNIN-UHFFFAOYSA-N 1 2 286.335 2.626 20 5 CFBDLO COCC(C)(C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000292346323 198253118 /nfs/dbraw/zinc/25/31/18/198253118.db2.gz PMSDZJKFQQQSHJ-UHFFFAOYSA-N 1 2 288.294 2.730 20 5 CFBDLO COCC(C)(C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000292346323 198253119 /nfs/dbraw/zinc/25/31/19/198253119.db2.gz PMSDZJKFQQQSHJ-UHFFFAOYSA-N 1 2 288.294 2.730 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c(F)c1 ZINC000157970752 188349862 /nfs/dbraw/zinc/34/98/62/188349862.db2.gz ROCBYNOAMXXRJD-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCC3)C2)c(F)c1 ZINC000157970752 188349863 /nfs/dbraw/zinc/34/98/63/188349863.db2.gz ROCBYNOAMXXRJD-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)OCC ZINC000429718891 283297188 /nfs/dbraw/zinc/29/71/88/283297188.db2.gz BNGNJJZWXCTQHD-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)OCC ZINC000429718891 283297195 /nfs/dbraw/zinc/29/71/95/283297195.db2.gz BNGNJJZWXCTQHD-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO CC(C)[N@H+](Cc1cc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320677 189185607 /nfs/dbraw/zinc/18/56/07/189185607.db2.gz FGWPFZNGXINDIZ-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO CC(C)[N@@H+](Cc1cc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320677 189185608 /nfs/dbraw/zinc/18/56/08/189185608.db2.gz FGWPFZNGXINDIZ-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180321406 189249983 /nfs/dbraw/zinc/24/99/83/189249983.db2.gz OBWVIGTYQJVCLM-GRYCIOLGSA-N 1 2 264.325 2.765 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180321406 189249984 /nfs/dbraw/zinc/24/99/84/189249984.db2.gz OBWVIGTYQJVCLM-GRYCIOLGSA-N 1 2 264.325 2.765 20 5 CFBDLO Cc1cc2ccccc2[nH+]c1NCCn1cc([N+](=O)[O-])cn1 ZINC000301714844 201154702 /nfs/dbraw/zinc/15/47/02/201154702.db2.gz JKMDWWICXFBWBJ-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184688154 189392675 /nfs/dbraw/zinc/39/26/75/189392675.db2.gz WRIOTKYJINGLNR-ZDUSSCGKSA-N 1 2 290.319 2.974 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])cc1 ZINC000301860725 201238444 /nfs/dbraw/zinc/23/84/44/201238444.db2.gz SYGNOMAWOVBJBO-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000444106621 241114174 /nfs/dbraw/zinc/11/41/74/241114174.db2.gz PHOMMVZZRXRCNJ-UHFFFAOYSA-N 1 2 280.287 2.572 20 5 CFBDLO Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000446427735 241301189 /nfs/dbraw/zinc/30/11/89/241301189.db2.gz JVNZBNZNBZZCEE-UHFFFAOYSA-N 1 2 289.266 2.998 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449582697 242048816 /nfs/dbraw/zinc/04/88/16/242048816.db2.gz GZOWFKIKCCRJAT-LBPRGKRZSA-N 1 2 296.367 2.529 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000449582697 242048821 /nfs/dbraw/zinc/04/88/21/242048821.db2.gz GZOWFKIKCCRJAT-LBPRGKRZSA-N 1 2 296.367 2.529 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330711700 203143440 /nfs/dbraw/zinc/14/34/40/203143440.db2.gz QEWJLJFFGUBPHM-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330711700 203143443 /nfs/dbraw/zinc/14/34/43/203143443.db2.gz QEWJLJFFGUBPHM-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1cccc(NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000225814654 189765136 /nfs/dbraw/zinc/76/51/36/189765136.db2.gz BYVUHFZXMPGCGL-UHFFFAOYSA-N 1 2 263.341 2.657 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)cc1 ZINC000047832690 373119133 /nfs/dbraw/zinc/11/91/33/373119133.db2.gz BTQRMIUUZMISCE-UHFFFAOYSA-N 1 2 258.281 2.514 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000048971993 373241003 /nfs/dbraw/zinc/24/10/03/373241003.db2.gz YIFAMTNBJMIQCD-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000048971993 373241008 /nfs/dbraw/zinc/24/10/08/373241008.db2.gz YIFAMTNBJMIQCD-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000049963802 373337309 /nfs/dbraw/zinc/33/73/09/373337309.db2.gz HTUAOVNVRIZNKV-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000061918222 373739263 /nfs/dbraw/zinc/73/92/63/373739263.db2.gz DBSOUVNIERAMMN-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000061918222 373739268 /nfs/dbraw/zinc/73/92/68/373739268.db2.gz DBSOUVNIERAMMN-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065422869 373871032 /nfs/dbraw/zinc/87/10/32/373871032.db2.gz ZJBWOJJDZZOJGM-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065422869 373871039 /nfs/dbraw/zinc/87/10/39/373871039.db2.gz ZJBWOJJDZZOJGM-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404060 373930007 /nfs/dbraw/zinc/93/00/07/373930007.db2.gz OBWVIGTYQJVCLM-TUAOUCFPSA-N 1 2 264.325 2.765 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066404060 373930014 /nfs/dbraw/zinc/93/00/14/373930014.db2.gz OBWVIGTYQJVCLM-TUAOUCFPSA-N 1 2 264.325 2.765 20 5 CFBDLO CCn1ccnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492151711 246203105 /nfs/dbraw/zinc/20/31/05/246203105.db2.gz NFGIGWLZERCOGA-UHFFFAOYSA-N 1 2 288.351 2.836 20 5 CFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093773025 375310535 /nfs/dbraw/zinc/31/05/35/375310535.db2.gz GNEGHDRFGXZRAT-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093773025 375310540 /nfs/dbraw/zinc/31/05/40/375310540.db2.gz GNEGHDRFGXZRAT-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113942674 376042469 /nfs/dbraw/zinc/04/24/69/376042469.db2.gz OHWZXUSCQZZEKM-GFCCVEGCSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000113942674 376042474 /nfs/dbraw/zinc/04/24/74/376042474.db2.gz OHWZXUSCQZZEKM-GFCCVEGCSA-N 1 2 296.342 2.981 20 5 CFBDLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000114748845 376086825 /nfs/dbraw/zinc/08/68/25/376086825.db2.gz IUPSSZJNUHWCGV-NXEZZACHSA-N 1 2 290.323 2.952 20 5 CFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])o1 ZINC000118642316 376305412 /nfs/dbraw/zinc/30/54/12/376305412.db2.gz PWAGSWJZCALGPV-UHFFFAOYSA-N 1 2 298.258 2.830 20 5 CFBDLO C[N@H+](CCc1ccccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124380151 377044072 /nfs/dbraw/zinc/04/40/72/377044072.db2.gz DYRBSHCCMWBSOH-UHFFFAOYSA-N 1 2 289.310 2.803 20 5 CFBDLO C[N@@H+](CCc1ccccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124380151 377044078 /nfs/dbraw/zinc/04/40/78/377044078.db2.gz DYRBSHCCMWBSOH-UHFFFAOYSA-N 1 2 289.310 2.803 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000132455062 377842930 /nfs/dbraw/zinc/84/29/30/377842930.db2.gz UZLZMSMRPRVJEQ-ZDUSSCGKSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000132455062 377842937 /nfs/dbraw/zinc/84/29/37/377842937.db2.gz UZLZMSMRPRVJEQ-ZDUSSCGKSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452140 378559376 /nfs/dbraw/zinc/55/93/76/378559376.db2.gz KIYAVLXGEOAEEM-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452140 378559383 /nfs/dbraw/zinc/55/93/83/378559383.db2.gz KIYAVLXGEOAEEM-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159326353 378702317 /nfs/dbraw/zinc/70/23/17/378702317.db2.gz DLQUOQQCNQJJHE-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159326353 378702327 /nfs/dbraw/zinc/70/23/27/378702327.db2.gz DLQUOQQCNQJJHE-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO Cc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332504895 378771459 /nfs/dbraw/zinc/77/14/59/378771459.db2.gz FMBXONRRDVVNHX-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000332504895 378771464 /nfs/dbraw/zinc/77/14/64/378771464.db2.gz FMBXONRRDVVNHX-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278531383 194030415 /nfs/dbraw/zinc/03/04/15/194030415.db2.gz FDFHHNANRPOYIS-OAHLLOKOSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000278531383 194030416 /nfs/dbraw/zinc/03/04/16/194030416.db2.gz FDFHHNANRPOYIS-OAHLLOKOSA-N 1 2 286.335 2.963 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc[nH]1 ZINC000354044052 381042926 /nfs/dbraw/zinc/04/29/26/381042926.db2.gz DWFYETXSWKWXOB-UHFFFAOYSA-N 1 2 289.335 2.954 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000354044052 381042937 /nfs/dbraw/zinc/04/29/37/381042937.db2.gz DWFYETXSWKWXOB-UHFFFAOYSA-N 1 2 289.335 2.954 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000341563178 381090496 /nfs/dbraw/zinc/09/04/96/381090496.db2.gz MISXNBPNBPSJJZ-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000347379380 381110540 /nfs/dbraw/zinc/11/05/40/381110540.db2.gz MUDJXEPGOYNSKB-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(F)C1 ZINC000347379380 381110547 /nfs/dbraw/zinc/11/05/47/381110547.db2.gz MUDJXEPGOYNSKB-ZDUSSCGKSA-N 1 2 268.288 2.537 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000289886557 381203070 /nfs/dbraw/zinc/20/30/70/381203070.db2.gz XODCJUABXIZDON-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC000359080691 381252193 /nfs/dbraw/zinc/25/21/93/381252193.db2.gz GZRIGONSCGZMPZ-UHFFFAOYSA-N 1 2 287.323 2.811 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356324 381259784 /nfs/dbraw/zinc/25/97/84/381259784.db2.gz WXRDTGRDIWZIQZ-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000183356324 381259789 /nfs/dbraw/zinc/25/97/89/381259789.db2.gz WXRDTGRDIWZIQZ-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccn2cc[nH+]c2c1 ZINC000354384467 381238306 /nfs/dbraw/zinc/23/83/06/381238306.db2.gz JJCLVNDZULFUJB-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])nc1 ZINC000347718756 381312707 /nfs/dbraw/zinc/31/27/07/381312707.db2.gz ZTWUTBRMFSMBRX-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000354704021 381409977 /nfs/dbraw/zinc/40/99/77/381409977.db2.gz KCHIDYZHKXBLJO-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000354704021 381409987 /nfs/dbraw/zinc/40/99/87/381409987.db2.gz KCHIDYZHKXBLJO-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1NCc1ccn2cc[nH+]c2c1 ZINC000342668874 381467372 /nfs/dbraw/zinc/46/73/72/381467372.db2.gz CVDQWLSFZMTMIL-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185110869 381537872 /nfs/dbraw/zinc/53/78/72/381537872.db2.gz JRTNQFGDJFMHMZ-LBPRGKRZSA-N 1 2 294.282 2.540 20 5 CFBDLO Cc1c(C[NH2+]Cc2ccn(C(F)F)n2)cccc1[N+](=O)[O-] ZINC000359793913 381614906 /nfs/dbraw/zinc/61/49/06/381614906.db2.gz HJXFHGMPDYPGDO-UHFFFAOYSA-N 1 2 296.277 2.785 20 5 CFBDLO Cc1[nH+]cccc1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000348888455 381754752 /nfs/dbraw/zinc/75/47/52/381754752.db2.gz QVJLPGVAVBLAAV-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349231278 381855791 /nfs/dbraw/zinc/85/57/91/381855791.db2.gz ACMNSBQPEMHADX-UWVGGRQHSA-N 1 2 261.281 2.995 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299414958 381931456 /nfs/dbraw/zinc/93/14/56/381931456.db2.gz INRPPOZGKSCKAJ-UHFFFAOYSA-N 1 2 280.715 2.618 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CF ZINC000293084512 381982871 /nfs/dbraw/zinc/98/28/71/381982871.db2.gz PCOLLYIFNPDNEV-ZDUSSCGKSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CF ZINC000293084512 381982875 /nfs/dbraw/zinc/98/28/75/381982875.db2.gz PCOLLYIFNPDNEV-ZDUSSCGKSA-N 1 2 282.315 2.927 20 5 CFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000293307599 382071816 /nfs/dbraw/zinc/07/18/16/382071816.db2.gz FHSBKACUHMGNLF-BDAKNGLRSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000293307599 382071824 /nfs/dbraw/zinc/07/18/24/382071824.db2.gz FHSBKACUHMGNLF-BDAKNGLRSA-N 1 2 297.742 2.527 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N(C)C ZINC000301152693 382092879 /nfs/dbraw/zinc/09/28/79/382092879.db2.gz DTNJJSMBIIQEJA-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359619 382288198 /nfs/dbraw/zinc/28/81/98/382288198.db2.gz IQYSSLDXAOCSNG-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO CC(C)(C)OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621123 382421009 /nfs/dbraw/zinc/42/10/09/382421009.db2.gz MAOYJGBJNIJRRL-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC(C)(C)OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621123 382421011 /nfs/dbraw/zinc/42/10/11/382421011.db2.gz MAOYJGBJNIJRRL-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000378493093 382472736 /nfs/dbraw/zinc/47/27/36/382472736.db2.gz IPRNPXCASURHOH-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000378493093 382472738 /nfs/dbraw/zinc/47/27/38/382472738.db2.gz IPRNPXCASURHOH-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000336829778 382726040 /nfs/dbraw/zinc/72/60/40/382726040.db2.gz AYRIHYRZSDIQRY-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000336829778 382726042 /nfs/dbraw/zinc/72/60/42/382726042.db2.gz AYRIHYRZSDIQRY-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000337317606 382800070 /nfs/dbraw/zinc/80/00/70/382800070.db2.gz FUGHELLUYATWDE-UHFFFAOYSA-N 1 2 297.270 2.719 20 5 CFBDLO Cc1c([C@H](C)[NH2+]Cc2ncccn2)cccc1[N+](=O)[O-] ZINC000577388148 382857383 /nfs/dbraw/zinc/85/73/83/382857383.db2.gz AZFCYRKYZVLIRN-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000548754420 382980218 /nfs/dbraw/zinc/98/02/18/382980218.db2.gz IIOHSWDCNAODEC-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000548754420 382980220 /nfs/dbraw/zinc/98/02/20/382980220.db2.gz IIOHSWDCNAODEC-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000447824658 383013083 /nfs/dbraw/zinc/01/30/83/383013083.db2.gz AGXQKZBQTVEALK-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000447824658 383013085 /nfs/dbraw/zinc/01/30/85/383013085.db2.gz AGXQKZBQTVEALK-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060004 383136358 /nfs/dbraw/zinc/13/63/58/383136358.db2.gz LPKMGJAQMIWKDS-WDEREUQCSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060004 383136359 /nfs/dbraw/zinc/13/63/59/383136359.db2.gz LPKMGJAQMIWKDS-WDEREUQCSA-N 1 2 264.325 2.778 20 5 CFBDLO CC(F)(F)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517246036 383173763 /nfs/dbraw/zinc/17/37/63/383173763.db2.gz IWBGWZAUOVTOTI-JTQLQIEISA-N 1 2 256.252 2.827 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000339226669 383185214 /nfs/dbraw/zinc/18/52/14/383185214.db2.gz CRUGJYPZTYXJSU-QIMFLAQGSA-N 1 2 276.336 2.969 20 5 CFBDLO CNc1ccc(Nc2cc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000339666522 383280744 /nfs/dbraw/zinc/28/07/44/383280744.db2.gz BJXVZPQJFJGKRP-UHFFFAOYSA-N 1 2 258.281 2.505 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830219 383508982 /nfs/dbraw/zinc/50/89/82/383508982.db2.gz NNKNTTLIEIUOGE-APPZFPTMSA-N 1 2 293.714 2.958 20 5 CFBDLO C[C@@H](c1csnn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450942463 383560623 /nfs/dbraw/zinc/56/06/23/383560623.db2.gz RBLGCSHFTSUGRZ-JTQLQIEISA-N 1 2 292.364 2.682 20 5 CFBDLO C[C@@H](c1csnn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450942463 383560627 /nfs/dbraw/zinc/56/06/27/383560627.db2.gz RBLGCSHFTSUGRZ-JTQLQIEISA-N 1 2 292.364 2.682 20 5 CFBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OCC ZINC000429712892 383562530 /nfs/dbraw/zinc/56/25/30/383562530.db2.gz HXSNDLFCMKEVIK-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)OCC ZINC000429712892 383562532 /nfs/dbraw/zinc/56/25/32/383562532.db2.gz HXSNDLFCMKEVIK-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)cc2[nH+]1 ZINC000436210047 383788708 /nfs/dbraw/zinc/78/87/08/383788708.db2.gz MDNRWMYDBBAMIH-UHFFFAOYSA-N 1 2 297.318 2.902 20 5 CFBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])c(C4CC4)n3)ccc2[nH+]1 ZINC000436210047 383788711 /nfs/dbraw/zinc/78/87/11/383788711.db2.gz MDNRWMYDBBAMIH-UHFFFAOYSA-N 1 2 297.318 2.902 20 5 CFBDLO CC1=CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000436261132 383794042 /nfs/dbraw/zinc/79/40/42/383794042.db2.gz OERUNPJWZQQMES-UHFFFAOYSA-N 1 2 250.273 2.886 20 5 CFBDLO CC1=CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000436261132 383794048 /nfs/dbraw/zinc/79/40/48/383794048.db2.gz OERUNPJWZQQMES-UHFFFAOYSA-N 1 2 250.273 2.886 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353371 383988822 /nfs/dbraw/zinc/98/88/22/383988822.db2.gz DLLASZCSLXQUHI-YNEHKIRRSA-N 1 2 278.352 2.901 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000438353371 383988825 /nfs/dbraw/zinc/98/88/25/383988825.db2.gz DLLASZCSLXQUHI-YNEHKIRRSA-N 1 2 278.352 2.901 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000438349215 383990504 /nfs/dbraw/zinc/99/05/04/383990504.db2.gz NGMZNENNTMTVMD-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000438349215 383990507 /nfs/dbraw/zinc/99/05/07/383990507.db2.gz NGMZNENNTMTVMD-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)O1 ZINC000267017819 384280336 /nfs/dbraw/zinc/28/03/36/384280336.db2.gz JNFUMKPIWZWPCD-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)O1 ZINC000267017819 384280342 /nfs/dbraw/zinc/28/03/42/384280342.db2.gz JNFUMKPIWZWPCD-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000269868589 384887855 /nfs/dbraw/zinc/88/78/55/384887855.db2.gz LVWHJFJMZWGYDX-CYBMUJFWSA-N 1 2 284.319 2.681 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ncn1 ZINC000270125804 384985481 /nfs/dbraw/zinc/98/54/81/384985481.db2.gz LPUFLOCNMLIFJX-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ncn1 ZINC000270125801 384985614 /nfs/dbraw/zinc/98/56/14/384985614.db2.gz LPUFLOCNMLIFJX-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000093645295 285159490 /nfs/dbraw/zinc/15/94/90/285159490.db2.gz WOSPDUCBFIFEIX-LLCTXKFZSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000093645295 285159493 /nfs/dbraw/zinc/15/94/93/285159493.db2.gz WOSPDUCBFIFEIX-LLCTXKFZSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438344571 285160861 /nfs/dbraw/zinc/16/08/61/285160861.db2.gz IKVIXCFFHDTZMF-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC000438344571 285160863 /nfs/dbraw/zinc/16/08/63/285160863.db2.gz IKVIXCFFHDTZMF-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC=C(F)C2)cc1 ZINC000272522644 385557403 /nfs/dbraw/zinc/55/74/03/385557403.db2.gz PZGDDGJHSFVFCU-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC=C(F)C2)cc1 ZINC000272522644 385557405 /nfs/dbraw/zinc/55/74/05/385557405.db2.gz PZGDDGJHSFVFCU-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1F ZINC000286245233 385576858 /nfs/dbraw/zinc/57/68/58/385576858.db2.gz RXXUVTRHXRRNFI-AWEZNQCLSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1F ZINC000286245233 385576859 /nfs/dbraw/zinc/57/68/59/385576859.db2.gz RXXUVTRHXRRNFI-AWEZNQCLSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000288347042 197055947 /nfs/dbraw/zinc/05/59/47/197055947.db2.gz BTIILOLAZMOOEE-UHFFFAOYSA-N 1 2 287.319 2.751 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)c1 ZINC000268943419 132092560 /nfs/dbraw/zinc/09/25/60/132092560.db2.gz GJUBTAQMFGXEON-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO Cc1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268993259 132096720 /nfs/dbraw/zinc/09/67/20/132096720.db2.gz VKTPJCQJGGAGTK-UHFFFAOYSA-N 1 2 274.324 2.626 20 5 CFBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000181776204 393501177 /nfs/dbraw/zinc/50/11/77/393501177.db2.gz DMDIMBSYXHTNFO-SNVBAGLBSA-N 1 2 275.283 2.980 20 5 CFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000181773491 393501394 /nfs/dbraw/zinc/50/13/94/393501394.db2.gz OCZHAOGEFMEAFP-SNVBAGLBSA-N 1 2 298.302 2.982 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424320033 393826278 /nfs/dbraw/zinc/82/62/78/393826278.db2.gz IPASNMYXAWDFMY-UONOGXRCSA-N 1 2 298.346 2.560 20 5 CFBDLO C[N@H+](CCn1cccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119101135 393914735 /nfs/dbraw/zinc/91/47/35/393914735.db2.gz NFKXCOMOQGELIG-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO C[N@@H+](CCn1cccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119101135 393914739 /nfs/dbraw/zinc/91/47/39/393914739.db2.gz NFKXCOMOQGELIG-UHFFFAOYSA-N 1 2 294.742 2.577 20 5 CFBDLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000429262985 393949115 /nfs/dbraw/zinc/94/91/15/393949115.db2.gz HRZQCZGDVABBQJ-UHFFFAOYSA-N 1 2 286.335 2.718 20 5 CFBDLO CN(CCCn1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286085334 394190389 /nfs/dbraw/zinc/19/03/89/394190389.db2.gz DFRCSJQFVSQANJ-UHFFFAOYSA-N 1 2 294.742 2.971 20 5 CFBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000494633396 394361122 /nfs/dbraw/zinc/36/11/22/394361122.db2.gz AVEFJZAFDUBQMO-QMMMGPOBSA-N 1 2 280.715 2.822 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446063639 286384086 /nfs/dbraw/zinc/38/40/86/286384086.db2.gz RQSNFHSVTJVJOL-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446063639 286384088 /nfs/dbraw/zinc/38/40/88/286384088.db2.gz RQSNFHSVTJVJOL-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO Cc1cc(N[C@H](c2[nH+]ccn2C)C2CC2)ncc1[N+](=O)[O-] ZINC000343254304 154156278 /nfs/dbraw/zinc/15/62/78/154156278.db2.gz UDSLQCFUCVWGTH-ZDUSSCGKSA-N 1 2 287.323 2.595 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000355791634 155088206 /nfs/dbraw/zinc/08/82/06/155088206.db2.gz HNMGCGPIEHSIRF-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000355791634 155088207 /nfs/dbraw/zinc/08/82/07/155088207.db2.gz HNMGCGPIEHSIRF-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000344418507 162039483 /nfs/dbraw/zinc/03/94/83/162039483.db2.gz LUZUGQPOFYFIHH-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000344416429 162040539 /nfs/dbraw/zinc/04/05/39/162040539.db2.gz JDCFQQLDFDDTQW-UHFFFAOYSA-N 1 2 285.307 2.729 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccccc1[N+](=O)[O-] ZINC000349232410 287052234 /nfs/dbraw/zinc/05/22/34/287052234.db2.gz BWQZWHGIGMCLAR-ZJUUUORDSA-N 1 2 261.281 2.995 20 5 CFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561615 287210968 /nfs/dbraw/zinc/21/09/68/287210968.db2.gz YBGXZVOCBYPABQ-VXGBXAGGSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561615 287210969 /nfs/dbraw/zinc/21/09/69/287210969.db2.gz YBGXZVOCBYPABQ-VXGBXAGGSA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccccn2)c1 ZINC000035368143 172159918 /nfs/dbraw/zinc/15/99/18/172159918.db2.gz VXMJORYMDVMIKV-UHFFFAOYSA-N 1 2 277.711 2.933 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)cc1 ZINC000045108294 175308726 /nfs/dbraw/zinc/30/87/26/175308726.db2.gz VIJXLUKJBAWCGD-UHFFFAOYSA-N 1 2 260.297 2.684 20 5 CFBDLO COc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC000342865433 274093492 /nfs/dbraw/zinc/09/34/92/274093492.db2.gz VGPUXVHKNQTHCX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC000342865433 274093493 /nfs/dbraw/zinc/09/34/93/274093493.db2.gz VGPUXVHKNQTHCX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000138923844 278379325 /nfs/dbraw/zinc/37/93/25/278379325.db2.gz HIDWNDXEBPEVMZ-NXEZZACHSA-N 1 2 260.297 2.730 20 5 CFBDLO Cc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000131447172 279152744 /nfs/dbraw/zinc/15/27/44/279152744.db2.gz QGTMWRVXZHJOPP-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000131447172 279152745 /nfs/dbraw/zinc/15/27/45/279152745.db2.gz QGTMWRVXZHJOPP-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255430227 281098204 /nfs/dbraw/zinc/09/82/04/281098204.db2.gz MNXDMNMOWFZILU-WAYWQWQTSA-N 1 2 283.287 2.950 20 5 CFBDLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000393328741 281192661 /nfs/dbraw/zinc/19/26/61/281192661.db2.gz XNHADWNERNEUKD-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1[N+](=O)[O-] ZINC000398419836 281206362 /nfs/dbraw/zinc/20/63/62/281206362.db2.gz PGYKZWXJXMUKCB-VIFPVBQESA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000398407739 281206391 /nfs/dbraw/zinc/20/63/91/281206391.db2.gz KPAUGRBRYLWWKS-BDAKNGLRSA-N 1 2 278.337 2.858 20 5 CFBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1csnn1 ZINC000565219635 290283939 /nfs/dbraw/zinc/28/39/39/290283939.db2.gz XKCICCPJKBRPEW-GZMMTYOYSA-N 1 2 290.348 2.784 20 5 CFBDLO O=[N+]([O-])c1ccc(SCc2cn3ccccc3[nH+]2)nc1 ZINC000159659997 322326357 /nfs/dbraw/zinc/32/63/57/322326357.db2.gz QITVZUPIKXLBPF-UHFFFAOYSA-N 1 2 286.316 2.930 20 5 CFBDLO C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CO1 ZINC000569600771 322484478 /nfs/dbraw/zinc/48/44/78/322484478.db2.gz ZEGUVQHQHVZEFY-GXSJLCMTSA-N 1 2 273.292 2.732 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000177573568 323699046 /nfs/dbraw/zinc/69/90/46/323699046.db2.gz HYZIAOTVINZGFL-ZDUSSCGKSA-N 1 2 276.292 2.665 20 5 CFBDLO CC(C)[N@H+](Cc1nccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195515183 324108481 /nfs/dbraw/zinc/10/84/81/324108481.db2.gz QESACOZBRHLEKN-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO CC(C)[N@@H+](Cc1nccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195515183 324108486 /nfs/dbraw/zinc/10/84/86/324108486.db2.gz QESACOZBRHLEKN-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO C[C@@H](O)C[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149376 533726562 /nfs/dbraw/zinc/72/65/62/533726562.db2.gz BKLFIQUCAMVQOK-GHMZBOCLSA-N 1 2 289.335 2.962 20 5 CFBDLO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000336829779 520472355 /nfs/dbraw/zinc/47/23/55/520472355.db2.gz AYRIHYRZSDIQRY-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000336829779 520472366 /nfs/dbraw/zinc/47/23/66/520472366.db2.gz AYRIHYRZSDIQRY-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000229545456 523541345 /nfs/dbraw/zinc/54/13/45/523541345.db2.gz HQZIIOVBFRFRPL-UHFFFAOYSA-N 1 2 264.260 2.562 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000050444000 524761638 /nfs/dbraw/zinc/76/16/38/524761638.db2.gz NGMRWRRVFKSSKZ-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO Cc1nn(Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1[N+](=O)[O-] ZINC000192824957 526287543 /nfs/dbraw/zinc/28/75/43/526287543.db2.gz IYPWBJAIBNPQSS-UHFFFAOYSA-N 1 2 297.318 2.642 20 5 CFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000338510970 526669502 /nfs/dbraw/zinc/66/95/02/526669502.db2.gz QZTGAISRCAEANQ-UHFFFAOYSA-N 1 2 287.319 2.632 20 5 CFBDLO CC(C)[C@@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167240 528624234 /nfs/dbraw/zinc/62/42/34/528624234.db2.gz VFSIYHBZBKJPSD-AWEZNQCLSA-N 1 2 289.335 2.962 20 5 CFBDLO CCOCCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413074311 528645635 /nfs/dbraw/zinc/64/56/35/528645635.db2.gz RHSFAAUMMHOFOJ-UHFFFAOYSA-N 1 2 289.335 2.794 20 5 CFBDLO CC[C@@H](O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413189754 529224277 /nfs/dbraw/zinc/22/42/77/529224277.db2.gz ADHOXMWGGWNHGF-GFCCVEGCSA-N 1 2 275.308 2.716 20 5 CFBDLO CC[C@H](C)[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144402 529263894 /nfs/dbraw/zinc/26/38/94/529263894.db2.gz TWKKAPRKRLUVTF-IINYFYTJSA-N 1 2 289.335 2.962 20 5 CFBDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746033102 574131679 /nfs/dbraw/zinc/13/16/79/574131679.db2.gz MRDQXUQCQFEGEJ-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO CC[N@H+](Cc1ccc(Cl)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746033102 574131680 /nfs/dbraw/zinc/13/16/80/574131680.db2.gz MRDQXUQCQFEGEJ-UHFFFAOYSA-N 1 2 294.742 2.924 20 5 CFBDLO Cc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000756900600 574271283 /nfs/dbraw/zinc/27/12/83/574271283.db2.gz QXQDAMGVAZEKKU-UHFFFAOYSA-N 1 2 292.726 2.636 20 5 CFBDLO O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742400882 574328037 /nfs/dbraw/zinc/32/80/37/574328037.db2.gz KWBNMKLDAUILHJ-NSHDSACASA-N 1 2 290.298 2.772 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175927009 618219868 /nfs/dbraw/zinc/21/98/68/618219868.db2.gz HVDLRCSAGZEDPJ-UHFFFAOYSA-N 1 2 296.396 2.501 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000175927009 618219869 /nfs/dbraw/zinc/21/98/69/618219869.db2.gz HVDLRCSAGZEDPJ-UHFFFAOYSA-N 1 2 296.396 2.501 20 5 CFBDLO Cc1[nH]c([C@H]2CCCN2c2ncccc2[N+](=O)[O-])[nH+]c1C ZINC000895193862 618459867 /nfs/dbraw/zinc/45/98/67/618459867.db2.gz VNSUUBXPZIDIFS-LLVKDONJSA-N 1 2 287.323 2.671 20 5 CFBDLO Cc1ncoc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000894370913 619354359 /nfs/dbraw/zinc/35/43/59/619354359.db2.gz RJBWBLOYSNJDME-VIFPVBQESA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1ncoc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000894370912 619354651 /nfs/dbraw/zinc/35/46/51/619354651.db2.gz RJBWBLOYSNJDME-SECBINFHSA-N 1 2 261.281 2.742 20 5 CFBDLO CCCCNc1[nH+]c2ccccc2n1CC[N+](=O)[O-] ZINC000899867080 620607415 /nfs/dbraw/zinc/60/74/15/620607415.db2.gz SSZVGHCTMKKTEZ-UHFFFAOYSA-N 1 2 262.313 2.525 20 5 CFBDLO CC[N@@H+](Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000058591057 623053549 /nfs/dbraw/zinc/05/35/49/623053549.db2.gz AZAADKVDUYWTJZ-UHFFFAOYSA-N 1 2 288.351 2.888 20 5 CFBDLO CC[N@H+](Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000058591057 623053555 /nfs/dbraw/zinc/05/35/55/623053555.db2.gz AZAADKVDUYWTJZ-UHFFFAOYSA-N 1 2 288.351 2.888 20 5 CFBDLO COCC[N@H+](CCF)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827054336 623933247 /nfs/dbraw/zinc/93/32/47/623933247.db2.gz QQBKWQURWBOROP-UHFFFAOYSA-N 1 2 290.722 2.666 20 5 CFBDLO COCC[N@@H+](CCF)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827054336 623933248 /nfs/dbraw/zinc/93/32/48/623933248.db2.gz QQBKWQURWBOROP-UHFFFAOYSA-N 1 2 290.722 2.666 20 5 CFBDLO CCc1onc(C)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922988067 626439772 /nfs/dbraw/zinc/43/97/72/626439772.db2.gz JZIKUZUSEAPVHK-UHFFFAOYSA-N 1 2 281.337 2.805 20 5 CFBDLO CN(C)c1cc(COc2cc(F)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000762476624 626918170 /nfs/dbraw/zinc/91/81/70/626918170.db2.gz FVXCFBIPKQLNBI-UHFFFAOYSA-N 1 2 291.282 2.774 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000770690526 627541552 /nfs/dbraw/zinc/54/15/52/627541552.db2.gz XTEULKGLYNULAV-GFCCVEGCSA-N 1 2 296.323 2.619 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844339366 632174037 /nfs/dbraw/zinc/17/40/37/632174037.db2.gz ZHRMQPUZPRNGTQ-LLVKDONJSA-N 1 2 289.291 2.656 20 5 CFBDLO Cc1ccccc1C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000849213446 633583179 /nfs/dbraw/zinc/58/31/79/633583179.db2.gz HYHXTHWMYXTDOH-UHFFFAOYSA-N 1 2 285.303 2.950 20 5 CFBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCn2c[nH+]cc2C1 ZINC000853638094 635056453 /nfs/dbraw/zinc/05/64/53/635056453.db2.gz ZHZTWBYDTZSWQT-UHFFFAOYSA-N 1 2 294.261 2.749 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c(C(F)F)c1 ZINC000865817441 638589558 /nfs/dbraw/zinc/58/95/58/638589558.db2.gz JFDCAKIOANVKBP-UHFFFAOYSA-N 1 2 294.261 2.818 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1NCCn1cc[nH+]c1 ZINC000124756379 642311191 /nfs/dbraw/zinc/31/11/91/642311191.db2.gz NCFUANVQXHVCNI-UHFFFAOYSA-N 1 2 266.688 2.557 20 5 CFBDLO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)on1 ZINC000877635401 643418793 /nfs/dbraw/zinc/41/87/93/643418793.db2.gz PWVAJQGLCZZIMR-UHFFFAOYSA-N 1 2 297.698 2.535 20 5 CFBDLO C[N@H+](CCOc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885942634 646777442 /nfs/dbraw/zinc/77/74/42/646777442.db2.gz QQCVKIPGDICVHL-UHFFFAOYSA-N 1 2 287.319 2.501 20 5 CFBDLO C[N@@H+](CCOc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885942634 646777444 /nfs/dbraw/zinc/77/74/44/646777444.db2.gz QQCVKIPGDICVHL-UHFFFAOYSA-N 1 2 287.319 2.501 20 5 CFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886283779 646952236 /nfs/dbraw/zinc/95/22/36/646952236.db2.gz GYZPROHMZCGJLH-GFCCVEGCSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886283779 646952237 /nfs/dbraw/zinc/95/22/37/646952237.db2.gz GYZPROHMZCGJLH-GFCCVEGCSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000926891275 648647178 /nfs/dbraw/zinc/64/71/78/648647178.db2.gz IKCSLIVOMGWNKV-CWSCBRNRSA-N 1 2 287.323 2.543 20 5 CFBDLO C[NH+](C)C1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225619786 775526850 /nfs/dbraw/zinc/52/68/50/775526850.db2.gz ISESWRDYRKUPQW-UHFFFAOYSA-N 1 2 280.324 2.552 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1OC1C[NH+](C(C)(C)C)C1 ZINC001226969648 776038675 /nfs/dbraw/zinc/03/86/75/776038675.db2.gz RCSZHFVGPPBVLH-UHFFFAOYSA-N 1 2 264.325 2.765 20 5 CFBDLO C[C@@H](OCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC001222600090 776187809 /nfs/dbraw/zinc/18/78/09/776187809.db2.gz IQBZJXNWDBTTSF-SNVBAGLBSA-N 1 2 261.281 2.606 20 5 CFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001227521280 776219099 /nfs/dbraw/zinc/21/90/99/776219099.db2.gz ORTRUBMILKJFEC-UHFFFAOYSA-N 1 2 284.315 2.858 20 5 CFBDLO [NH2+]=CNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001167868333 776687423 /nfs/dbraw/zinc/68/74/23/776687423.db2.gz IXSSAWGFVDVUKS-UHFFFAOYSA-N 1 2 295.096 2.924 20 5 CFBDLO Cc1cc([N+](=O)[O-])c(OC2C[NH+](C(C)C)C2)cc1F ZINC001229895622 776912708 /nfs/dbraw/zinc/91/27/08/776912708.db2.gz SOLDKHWPNLFTAJ-UHFFFAOYSA-N 1 2 268.288 2.514 20 5 CFBDLO COc1cccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595291641 349592131 /nfs/dbraw/zinc/59/21/31/349592131.db2.gz LBSMKGGKZGYXTG-UHFFFAOYSA-N 1 2 291.307 2.532 20 5 CFBDLO COc1cccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595291641 349592135 /nfs/dbraw/zinc/59/21/35/349592135.db2.gz LBSMKGGKZGYXTG-UHFFFAOYSA-N 1 2 291.307 2.532 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595351090 349608681 /nfs/dbraw/zinc/60/86/81/349608681.db2.gz NKKFKRFWLGNORU-LBPRGKRZSA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595351090 349608683 /nfs/dbraw/zinc/60/86/83/349608683.db2.gz NKKFKRFWLGNORU-LBPRGKRZSA-N 1 2 290.323 2.567 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595402363 349617244 /nfs/dbraw/zinc/61/72/44/349617244.db2.gz XSGIKXJANYPYAY-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000595425236 349621367 /nfs/dbraw/zinc/62/13/67/349621367.db2.gz ZUHGVYCPCQCOCB-SKDRFNHKSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1F ZINC000595425236 349621370 /nfs/dbraw/zinc/62/13/70/349621370.db2.gz ZUHGVYCPCQCOCB-SKDRFNHKSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1F ZINC000595425235 349621607 /nfs/dbraw/zinc/62/16/07/349621607.db2.gz ZUHGVYCPCQCOCB-JOYOIKCWSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1F ZINC000595425235 349621610 /nfs/dbraw/zinc/62/16/10/349621610.db2.gz ZUHGVYCPCQCOCB-JOYOIKCWSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nccnc2C1 ZINC000595864687 349757772 /nfs/dbraw/zinc/75/77/72/349757772.db2.gz QIZXCDUVZUWARV-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nccnc2C1 ZINC000595864687 349757778 /nfs/dbraw/zinc/75/77/78/349757778.db2.gz QIZXCDUVZUWARV-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO Cc1cc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])s1 ZINC000596058077 349783461 /nfs/dbraw/zinc/78/34/61/349783461.db2.gz CCVZMSRWIPQJHO-UHFFFAOYSA-N 1 2 278.337 2.884 20 5 CFBDLO COc1cc(N(C)Cc2[nH]cc[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000596132530 349802855 /nfs/dbraw/zinc/80/28/55/349802855.db2.gz NGBHMNPJHJPQCB-UHFFFAOYSA-N 1 2 296.714 2.616 20 5 CFBDLO C[C@@H]1[C@@H](C)CN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596245806 349839095 /nfs/dbraw/zinc/83/90/95/349839095.db2.gz ALVVXLVZKHOOTI-VHSXEESVSA-N 1 2 257.293 2.988 20 5 CFBDLO CO[C@@]1(C)C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596538731 349934822 /nfs/dbraw/zinc/93/48/22/349934822.db2.gz DZDJTIQYHTYCMJ-OCCSQVGLSA-N 1 2 273.292 2.732 20 5 CFBDLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])s1 ZINC000596542220 349936506 /nfs/dbraw/zinc/93/65/06/349936506.db2.gz LPTUYAMMHANRFD-MRVPVSSYSA-N 1 2 266.326 2.871 20 5 CFBDLO C[N@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006996520 346216766 /nfs/dbraw/zinc/21/67/66/346216766.db2.gz YBUDERNVXZTHNS-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO C[N@@H+](Cc1ccco1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006996520 346216769 /nfs/dbraw/zinc/21/67/69/346216769.db2.gz YBUDERNVXZTHNS-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000042132013 346361979 /nfs/dbraw/zinc/36/19/79/346361979.db2.gz CLSKJGRPTAOLFM-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000042132013 346361981 /nfs/dbraw/zinc/36/19/81/346361981.db2.gz CLSKJGRPTAOLFM-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000038879443 346339936 /nfs/dbraw/zinc/33/99/36/346339936.db2.gz XYWDSJTUIVKTIP-UHFFFAOYSA-N 1 2 285.141 2.735 20 5 CFBDLO CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000038879443 346339938 /nfs/dbraw/zinc/33/99/38/346339938.db2.gz XYWDSJTUIVKTIP-UHFFFAOYSA-N 1 2 285.141 2.735 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000052075430 346512773 /nfs/dbraw/zinc/51/27/73/346512773.db2.gz QZGIWJIHFUOZKN-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO O=[N+]([O-])c1cnccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000066797710 346780025 /nfs/dbraw/zinc/78/00/25/346780025.db2.gz JVWBETYSGAEBRY-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1[nH+]c2ccccc2n1CCNc1ccncc1[N+](=O)[O-] ZINC000066796942 346780064 /nfs/dbraw/zinc/78/00/64/346780064.db2.gz UCEDWIBJXWAQGX-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO C[C@@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000075893957 347107014 /nfs/dbraw/zinc/10/70/14/347107014.db2.gz GWNFEADZVIIBFQ-RKDXNWHRSA-N 1 2 272.395 2.982 20 5 CFBDLO Cc1cnc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000078662021 347268492 /nfs/dbraw/zinc/26/84/92/347268492.db2.gz XKCPSPCCVFSNQE-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnccn1 ZINC000080966041 347390705 /nfs/dbraw/zinc/39/07/05/347390705.db2.gz BYQUSWPUVQZEQU-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnccn1 ZINC000080966041 347390707 /nfs/dbraw/zinc/39/07/07/347390707.db2.gz BYQUSWPUVQZEQU-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091964092 347604452 /nfs/dbraw/zinc/60/44/52/347604452.db2.gz VTXDGRGRBDBEMS-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091964092 347604454 /nfs/dbraw/zinc/60/44/54/347604454.db2.gz VTXDGRGRBDBEMS-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000092008588 347606876 /nfs/dbraw/zinc/60/68/76/347606876.db2.gz KYAHFESJJFDKCJ-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO CC(C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000092008588 347606878 /nfs/dbraw/zinc/60/68/78/347606878.db2.gz KYAHFESJJFDKCJ-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO CC1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093339779 347669838 /nfs/dbraw/zinc/66/98/38/347669838.db2.gz NKLDMMYXKSBMTI-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO CC1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093339779 347669839 /nfs/dbraw/zinc/66/98/39/347669839.db2.gz NKLDMMYXKSBMTI-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000093442906 347673925 /nfs/dbraw/zinc/67/39/25/347673925.db2.gz IYDRDEGXCBITJA-GHMZBOCLSA-N 1 2 262.309 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3CF)nc2c1 ZINC000293215957 348361874 /nfs/dbraw/zinc/36/18/74/348361874.db2.gz XSEQSIRAWAHGIB-SNVBAGLBSA-N 1 2 279.271 2.670 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3CF)nc2c1 ZINC000293215957 348361880 /nfs/dbraw/zinc/36/18/80/348361880.db2.gz XSEQSIRAWAHGIB-SNVBAGLBSA-N 1 2 279.271 2.670 20 5 CFBDLO CC[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000317672927 348433358 /nfs/dbraw/zinc/43/33/58/348433358.db2.gz BTUMOYQYMLWZCP-LLVKDONJSA-N 1 2 298.306 2.824 20 5 CFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413178734 233029733 /nfs/dbraw/zinc/02/97/33/233029733.db2.gz UHKXHVOZSIURMK-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413178734 233029735 /nfs/dbraw/zinc/02/97/35/233029735.db2.gz UHKXHVOZSIURMK-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000273434249 192148596 /nfs/dbraw/zinc/14/85/96/192148596.db2.gz UZWMQROVEGSUMM-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000273434249 192148598 /nfs/dbraw/zinc/14/85/98/192148598.db2.gz UZWMQROVEGSUMM-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[C@H](O)CC3)c2c1 ZINC000413211961 233035391 /nfs/dbraw/zinc/03/53/91/233035391.db2.gz XPUMMIGPOMKQSA-AULYBMBSSA-N 1 2 287.319 2.858 20 5 CFBDLO CCO[C@@H]1C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591159141 348994464 /nfs/dbraw/zinc/99/44/64/348994464.db2.gz NTSWGNIZMYVLEV-QWHCGFSZSA-N 1 2 273.292 2.732 20 5 CFBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414108066 233168722 /nfs/dbraw/zinc/16/87/22/233168722.db2.gz ZORLRWRAKYUNCA-NSHDSACASA-N 1 2 286.335 2.588 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593665412 349306762 /nfs/dbraw/zinc/30/67/62/349306762.db2.gz CFGSNMIXKOTTSI-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593665412 349306764 /nfs/dbraw/zinc/30/67/64/349306764.db2.gz CFGSNMIXKOTTSI-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179182 350045308 /nfs/dbraw/zinc/04/53/08/350045308.db2.gz HJEULIFOTBXQAV-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000597179182 350045312 /nfs/dbraw/zinc/04/53/12/350045312.db2.gz HJEULIFOTBXQAV-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO C[C@@H](CO)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059289 350368415 /nfs/dbraw/zinc/36/84/15/350368415.db2.gz MHJSDYIZCWMSTR-LLVKDONJSA-N 1 2 289.335 2.964 20 5 CFBDLO COC[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599028238 350361432 /nfs/dbraw/zinc/36/14/32/350361432.db2.gz RYRYTNNZAYRLIO-JTQLQIEISA-N 1 2 275.308 2.837 20 5 CFBDLO CCOC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599032193 350361892 /nfs/dbraw/zinc/36/18/92/350361892.db2.gz IIOGICHCFUTRAA-UHFFFAOYSA-N 1 2 289.291 2.508 20 5 CFBDLO CC(C)[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046402 350364447 /nfs/dbraw/zinc/36/44/47/350364447.db2.gz ITYDPMYOJVSALM-CYBMUJFWSA-N 1 2 275.308 2.572 20 5 CFBDLO C[C@]1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOC1 ZINC000599043799 350364550 /nfs/dbraw/zinc/36/45/50/350364550.db2.gz LXIQWAMNZSUCAO-OAHLLOKOSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1=O ZINC000599070696 350369632 /nfs/dbraw/zinc/36/96/32/350369632.db2.gz NTBGMKHDNRFUKR-JTQLQIEISA-N 1 2 285.303 2.558 20 5 CFBDLO CN(c1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000599081873 350372368 /nfs/dbraw/zinc/37/23/68/350372368.db2.gz OAJJPTGNLDZEEB-LBPRGKRZSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1C ZINC000599087097 350374371 /nfs/dbraw/zinc/37/43/71/350374371.db2.gz TWFINIUWLZVJKB-UWVGGRQHSA-N 1 2 257.293 2.988 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1C ZINC000599087099 350374512 /nfs/dbraw/zinc/37/45/12/350374512.db2.gz TWFINIUWLZVJKB-ZJUUUORDSA-N 1 2 257.293 2.988 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599429713 350435666 /nfs/dbraw/zinc/43/56/66/350435666.db2.gz IWLJJCNDHFISJB-UHFFFAOYSA-N 1 2 292.726 2.530 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000106250904 186104592 /nfs/dbraw/zinc/10/45/92/186104592.db2.gz UTZLYMSJZKKZBH-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000107285595 186166111 /nfs/dbraw/zinc/16/61/11/186166111.db2.gz YMIWPDDUIDYMPZ-UHFFFAOYSA-N 1 2 257.249 2.551 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1CNc1c[nH+]cc(N(C)C)c1 ZINC000601064787 350656859 /nfs/dbraw/zinc/65/68/59/350656859.db2.gz RBLAOKMJCOGHNS-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@@H](O)C(F)F)c2c1 ZINC000601222107 350701394 /nfs/dbraw/zinc/70/13/94/350701394.db2.gz HEPUMCQMXOFPML-LLVKDONJSA-N 1 2 297.261 2.571 20 5 CFBDLO CC(C)(Nc1c(F)cc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000603407789 351158466 /nfs/dbraw/zinc/15/84/66/351158466.db2.gz WZXZGJSXDRBOKE-UHFFFAOYSA-N 1 2 282.250 2.943 20 5 CFBDLO Cc1nn(Cc2ccc(C)[nH+]c2C)c2ncc([N+](=O)[O-])cc12 ZINC000603327715 351140364 /nfs/dbraw/zinc/14/03/64/351140364.db2.gz PZFXPDLMOZLWCV-UHFFFAOYSA-N 1 2 297.318 2.708 20 5 CFBDLO CC(F)(F)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000565258594 290290382 /nfs/dbraw/zinc/29/03/82/290290382.db2.gz KMJQUKOCWIIEHY-GQCTYLIASA-N 1 2 256.252 2.853 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582258 351583193 /nfs/dbraw/zinc/58/31/93/351583193.db2.gz URPAKZIYWSFVJF-SECBINFHSA-N 1 2 293.348 2.673 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582258 351583197 /nfs/dbraw/zinc/58/31/97/351583197.db2.gz URPAKZIYWSFVJF-SECBINFHSA-N 1 2 293.348 2.673 20 5 CFBDLO COc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1[N+](=O)[O-] ZINC000611180502 351649700 /nfs/dbraw/zinc/64/97/00/351649700.db2.gz YPVAHTVZWWOYNH-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000611474087 351695174 /nfs/dbraw/zinc/69/51/74/351695174.db2.gz GXIYWQBZISTRPD-JTQLQIEISA-N 1 2 291.307 2.832 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000611502389 351699590 /nfs/dbraw/zinc/69/95/90/351699590.db2.gz RWRSIGGSDKHZTN-ZANVPECISA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000611502389 351699596 /nfs/dbraw/zinc/69/95/96/351699596.db2.gz RWRSIGGSDKHZTN-ZANVPECISA-N 1 2 270.279 2.914 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)s1 ZINC000611509809 351702076 /nfs/dbraw/zinc/70/20/76/351702076.db2.gz RISADFUYDLWTER-UHFFFAOYSA-N 1 2 266.326 2.745 20 5 CFBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611792495 351741245 /nfs/dbraw/zinc/74/12/45/351741245.db2.gz OTSJRVIGLDIPNE-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611792495 351741250 /nfs/dbraw/zinc/74/12/50/351741250.db2.gz OTSJRVIGLDIPNE-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cs1 ZINC000611578539 351711641 /nfs/dbraw/zinc/71/16/41/351711641.db2.gz PYQBHHVRDXLPPR-VIFPVBQESA-N 1 2 292.307 2.860 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)cs1 ZINC000611578539 351711644 /nfs/dbraw/zinc/71/16/44/351711644.db2.gz PYQBHHVRDXLPPR-VIFPVBQESA-N 1 2 292.307 2.860 20 5 CFBDLO CC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122453015 187032837 /nfs/dbraw/zinc/03/28/37/187032837.db2.gz JFGNLRFDLOBORJ-UHFFFAOYSA-N 1 2 270.716 2.659 20 5 CFBDLO CC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000122453015 187032838 /nfs/dbraw/zinc/03/28/38/187032838.db2.gz JFGNLRFDLOBORJ-UHFFFAOYSA-N 1 2 270.716 2.659 20 5 CFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000271591966 191229984 /nfs/dbraw/zinc/22/99/84/191229984.db2.gz GRWGSPBXWQKVMJ-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000271591966 191229986 /nfs/dbraw/zinc/22/99/86/191229986.db2.gz GRWGSPBXWQKVMJ-UHFFFAOYSA-N 1 2 266.272 2.533 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccnc1 ZINC000178004040 189085359 /nfs/dbraw/zinc/08/53/59/189085359.db2.gz KRSURGXHKWPRNP-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccnc1 ZINC000178004040 189085360 /nfs/dbraw/zinc/08/53/60/189085360.db2.gz KRSURGXHKWPRNP-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1cnc(NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])c1 ZINC000301428437 201004960 /nfs/dbraw/zinc/00/49/60/201004960.db2.gz HUMLLKJCRJYWLF-UHFFFAOYSA-N 1 2 289.339 2.763 20 5 CFBDLO Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301619490 201099347 /nfs/dbraw/zinc/09/93/47/201099347.db2.gz BYVFSFICNUVIFW-HNNXBMFYSA-N 1 2 299.330 2.956 20 5 CFBDLO Cc1ccc(COc2ccc([N+](=O)[O-])c(CO)c2)c(C)[nH+]1 ZINC000428092831 239379593 /nfs/dbraw/zinc/37/95/93/239379593.db2.gz QUWWORMMQSMWBG-UHFFFAOYSA-N 1 2 288.303 2.678 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000446058788 241266790 /nfs/dbraw/zinc/26/67/90/241266790.db2.gz GOHDQNQNUHWEJV-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000446058788 241266795 /nfs/dbraw/zinc/26/67/95/241266795.db2.gz GOHDQNQNUHWEJV-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000446071536 241270292 /nfs/dbraw/zinc/27/02/92/241270292.db2.gz JSCBBOAZRJHHHE-GRYCIOLGSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000446071536 241270297 /nfs/dbraw/zinc/27/02/97/241270297.db2.gz JSCBBOAZRJHHHE-GRYCIOLGSA-N 1 2 264.325 2.593 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000446855111 241334817 /nfs/dbraw/zinc/33/48/17/241334817.db2.gz GPUJEPVPFMCXGQ-UHFFFAOYSA-N 1 2 286.291 2.662 20 5 CFBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2nccn21 ZINC000449569093 242039489 /nfs/dbraw/zinc/03/94/89/242039489.db2.gz GEFBOWUPTQKOND-TVQRCGJNSA-N 1 2 290.298 2.726 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330736244 203171975 /nfs/dbraw/zinc/17/19/75/203171975.db2.gz MDROBZLJFXJUEW-HNNXBMFYSA-N 1 2 278.352 2.760 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330736244 203171977 /nfs/dbraw/zinc/17/19/77/203171977.db2.gz MDROBZLJFXJUEW-HNNXBMFYSA-N 1 2 278.352 2.760 20 5 CFBDLO CCOc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276971003 193519170 /nfs/dbraw/zinc/51/91/70/193519170.db2.gz WWRFFMLRTAPEKZ-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO COC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459583372 245227132 /nfs/dbraw/zinc/22/71/32/245227132.db2.gz PEQADPLGYBGVBM-UHFFFAOYSA-N 1 2 288.303 2.685 20 5 CFBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459790579 245328313 /nfs/dbraw/zinc/32/83/13/245328313.db2.gz MHHXOKOAFRRRHZ-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H]([NH2+]Cc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000041012438 372802615 /nfs/dbraw/zinc/80/26/15/372802615.db2.gz HTTNCAXXPIEENA-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000046783350 373062846 /nfs/dbraw/zinc/06/28/46/373062846.db2.gz YPALBBMULDBZPL-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC000046783350 373062857 /nfs/dbraw/zinc/06/28/57/373062857.db2.gz YPALBBMULDBZPL-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000047259214 373085375 /nfs/dbraw/zinc/08/53/75/373085375.db2.gz WLPMSQABVUIMFX-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000047259214 373085382 /nfs/dbraw/zinc/08/53/82/373085382.db2.gz WLPMSQABVUIMFX-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1NCCCn1cc[nH+]c1 ZINC000050351890 373369889 /nfs/dbraw/zinc/36/98/89/373369889.db2.gz YCZTWBZZEYQDPR-UHFFFAOYSA-N 1 2 280.715 2.947 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000061918218 373739301 /nfs/dbraw/zinc/73/93/01/373739301.db2.gz GNDFAAOSXKYZKD-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000061918218 373739305 /nfs/dbraw/zinc/73/93/05/373739305.db2.gz GNDFAAOSXKYZKD-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cn2ccccc2[nH+]1 ZINC000067948869 374017698 /nfs/dbraw/zinc/01/76/98/374017698.db2.gz OMAZKRQUYGQKHQ-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC000067571365 373982840 /nfs/dbraw/zinc/98/28/40/373982840.db2.gz KSGAYMXMRZDZDS-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000068475310 374030852 /nfs/dbraw/zinc/03/08/52/374030852.db2.gz ZJBWOJJDZZOJGM-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000068475310 374030859 /nfs/dbraw/zinc/03/08/59/374030859.db2.gz ZJBWOJJDZZOJGM-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]([NH2+]Cc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000088750751 374861931 /nfs/dbraw/zinc/86/19/31/374861931.db2.gz SSWPFVVZZRNVEO-CYBMUJFWSA-N 1 2 260.297 2.559 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000093510026 375260122 /nfs/dbraw/zinc/26/01/22/375260122.db2.gz CQMALERGIRSVBF-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000093510026 375260125 /nfs/dbraw/zinc/26/01/25/375260125.db2.gz CQMALERGIRSVBF-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO Cc1ccnc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000115515981 376134669 /nfs/dbraw/zinc/13/46/69/376134669.db2.gz FEYWNBHMCAJISP-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135588741 378147287 /nfs/dbraw/zinc/14/72/87/378147287.db2.gz FFDKFCBFCQXLGJ-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135588741 378147289 /nfs/dbraw/zinc/14/72/89/378147289.db2.gz FFDKFCBFCQXLGJ-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cs1 ZINC000331464466 378690904 /nfs/dbraw/zinc/69/09/04/378690904.db2.gz ZOWXTVYJCUVZIQ-SNVBAGLBSA-N 1 2 278.337 2.717 20 5 CFBDLO COc1cc[nH+]cc1COc1cccc(C)c1[N+](=O)[O-] ZINC000341339454 380947057 /nfs/dbraw/zinc/94/70/57/380947057.db2.gz NGUDHGCIVLTCNL-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347350090 381089600 /nfs/dbraw/zinc/08/96/00/381089600.db2.gz JFTGEYAEYSATPB-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000347350090 381089610 /nfs/dbraw/zinc/08/96/10/381089610.db2.gz JFTGEYAEYSATPB-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296057504 381235859 /nfs/dbraw/zinc/23/58/59/381235859.db2.gz PBPROSVAEILQFQ-ZDUSSCGKSA-N 1 2 252.289 2.919 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296057504 381235863 /nfs/dbraw/zinc/23/58/63/381235863.db2.gz PBPROSVAEILQFQ-ZDUSSCGKSA-N 1 2 252.289 2.919 20 5 CFBDLO Cc1ccnc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000354381703 381236021 /nfs/dbraw/zinc/23/60/21/381236021.db2.gz JAPSKAALQRPVGA-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCc2cccc(C)[nH+]2)n1 ZINC000359848936 381639645 /nfs/dbraw/zinc/63/96/45/381639645.db2.gz RHCAHHDOWORKFQ-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO Cc1c(C[N@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000298688818 381711497 /nfs/dbraw/zinc/71/14/97/381711497.db2.gz CPHOTZXVKRHHPK-MNOVXSKESA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2C[C@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000298688818 381711503 /nfs/dbraw/zinc/71/15/03/381711503.db2.gz CPHOTZXVKRHHPK-MNOVXSKESA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000355310281 381742784 /nfs/dbraw/zinc/74/27/84/381742784.db2.gz LIVXUUYXAVPXPZ-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000362394535 382047810 /nfs/dbraw/zinc/04/78/10/382047810.db2.gz DUAIGERYOWTCQJ-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO O=C(Nc1cccc2[nH+]ccn21)c1csc([N+](=O)[O-])c1 ZINC000357441146 382172569 /nfs/dbraw/zinc/17/25/69/382172569.db2.gz PYGQDFUGCQHCIA-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO CC[C@H](Nc1nc(C)cc(C)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000357694033 382281370 /nfs/dbraw/zinc/28/13/70/382281370.db2.gz GGVMTMCREXCIPF-JTQLQIEISA-N 1 2 275.312 2.893 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OC ZINC000293896146 382326582 /nfs/dbraw/zinc/32/65/82/382326582.db2.gz FCKFWROGNWHQMR-LLVKDONJSA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OC ZINC000293896146 382326585 /nfs/dbraw/zinc/32/65/85/382326585.db2.gz FCKFWROGNWHQMR-LLVKDONJSA-N 1 2 298.314 2.546 20 5 CFBDLO CCc1nn(C)c(NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000420652207 382446949 /nfs/dbraw/zinc/44/69/49/382446949.db2.gz LTEPTXGNTMZVNW-UHFFFAOYSA-N 1 2 289.339 2.515 20 5 CFBDLO Cc1ccncc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709629 382454561 /nfs/dbraw/zinc/45/45/61/382454561.db2.gz MQQUPHXJAALEDD-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1ccncc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709629 382454565 /nfs/dbraw/zinc/45/45/65/382454565.db2.gz MQQUPHXJAALEDD-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000421581989 382591651 /nfs/dbraw/zinc/59/16/51/382591651.db2.gz ZXYRSSOTTAUHGF-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000224010051 382808555 /nfs/dbraw/zinc/80/85/55/382808555.db2.gz OJVNNQZWDYDZNO-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO CCC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898111 383079007 /nfs/dbraw/zinc/07/90/07/383079007.db2.gz FHBNDHKOHYTCQO-SNVBAGLBSA-N 1 2 252.314 2.921 20 5 CFBDLO CCC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898111 383079011 /nfs/dbraw/zinc/07/90/11/383079011.db2.gz FHBNDHKOHYTCQO-SNVBAGLBSA-N 1 2 252.314 2.921 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000339082983 383142268 /nfs/dbraw/zinc/14/22/68/383142268.db2.gz ZWYDMANWWYLEPE-MRXNPFEDSA-N 1 2 299.330 2.936 20 5 CFBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339142871 383164818 /nfs/dbraw/zinc/16/48/18/383164818.db2.gz AGUNGCHTTRIRDC-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339142871 383164819 /nfs/dbraw/zinc/16/48/19/383164819.db2.gz AGUNGCHTTRIRDC-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1Cl ZINC000339653809 383274510 /nfs/dbraw/zinc/27/45/10/383274510.db2.gz XUUHRMNIJWCCDV-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000449498320 383335872 /nfs/dbraw/zinc/33/58/72/383335872.db2.gz KCVMNBCIPVMNEM-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1(C)C ZINC000449498320 383335876 /nfs/dbraw/zinc/33/58/76/383335876.db2.gz KCVMNBCIPVMNEM-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339770803 383311106 /nfs/dbraw/zinc/31/11/06/383311106.db2.gz GVCLGQNYOCJVFE-HNNXBMFYSA-N 1 2 290.363 2.986 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339770803 383311109 /nfs/dbraw/zinc/31/11/09/383311109.db2.gz GVCLGQNYOCJVFE-HNNXBMFYSA-N 1 2 290.363 2.986 20 5 CFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCSC1 ZINC000340579192 383476289 /nfs/dbraw/zinc/47/62/89/383476289.db2.gz OUJXYCWMQYMWHM-QMMMGPOBSA-N 1 2 288.319 2.810 20 5 CFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCSC1 ZINC000340579192 383476292 /nfs/dbraw/zinc/47/62/92/383476292.db2.gz OUJXYCWMQYMWHM-QMMMGPOBSA-N 1 2 288.319 2.810 20 5 CFBDLO C[C@H](c1csnn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450942464 383560356 /nfs/dbraw/zinc/56/03/56/383560356.db2.gz RBLGCSHFTSUGRZ-SNVBAGLBSA-N 1 2 292.364 2.682 20 5 CFBDLO C[C@H](c1csnn1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450942464 383560361 /nfs/dbraw/zinc/56/03/61/383560361.db2.gz RBLGCSHFTSUGRZ-SNVBAGLBSA-N 1 2 292.364 2.682 20 5 CFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489504674 383626134 /nfs/dbraw/zinc/62/61/34/383626134.db2.gz YLYBHNVXHFTJIJ-GFCCVEGCSA-N 1 2 252.289 2.964 20 5 CFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489504674 383626136 /nfs/dbraw/zinc/62/61/36/383626136.db2.gz YLYBHNVXHFTJIJ-GFCCVEGCSA-N 1 2 252.289 2.964 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1COc1cc[nH+]cc1 ZINC000431473370 383674715 /nfs/dbraw/zinc/67/47/15/383674715.db2.gz AMSOECRODHWWKL-UHFFFAOYSA-N 1 2 260.249 2.577 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc[nH]n1 ZINC000436431437 383817118 /nfs/dbraw/zinc/81/71/18/383817118.db2.gz LKKJTPRCNNOLFP-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc[nH]n1 ZINC000436431437 383817125 /nfs/dbraw/zinc/81/71/25/383817125.db2.gz LKKJTPRCNNOLFP-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO CC1=CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000436252614 383791788 /nfs/dbraw/zinc/79/17/88/383791788.db2.gz JEUIBTNIXTWHKY-UHFFFAOYSA-N 1 2 272.308 2.623 20 5 CFBDLO CC1=CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000436252614 383791792 /nfs/dbraw/zinc/79/17/92/383791792.db2.gz JEUIBTNIXTWHKY-UHFFFAOYSA-N 1 2 272.308 2.623 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCCC1 ZINC000309181762 285082652 /nfs/dbraw/zinc/08/26/52/285082652.db2.gz FPKSEVUXTPRSOO-UHFFFAOYSA-N 1 2 285.141 2.953 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCSCC1 ZINC000116273223 285088971 /nfs/dbraw/zinc/08/89/71/285088971.db2.gz PLGDTMPLIUJKDG-UHFFFAOYSA-N 1 2 272.757 2.797 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)Cc1[nH+]ccn1C ZINC000277851337 384423385 /nfs/dbraw/zinc/42/33/85/384423385.db2.gz SRUMYXKDQRFRQU-UHFFFAOYSA-N 1 2 294.742 2.927 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278529178 384589352 /nfs/dbraw/zinc/58/93/52/384589352.db2.gz DWGBTORYOGXRPR-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278529178 384589361 /nfs/dbraw/zinc/58/93/61/384589361.db2.gz DWGBTORYOGXRPR-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278663265 384593322 /nfs/dbraw/zinc/59/33/22/384593322.db2.gz IVSMNVNARDFGSV-OAHLLOKOSA-N 1 2 286.335 2.794 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)cs1 ZINC000268856883 384677667 /nfs/dbraw/zinc/67/76/67/384677667.db2.gz RBLGXMJXEZQACJ-JTQLQIEISA-N 1 2 278.337 2.547 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279725802 384738058 /nfs/dbraw/zinc/73/80/58/384738058.db2.gz MNEMDPOICZREBX-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)c1 ZINC000270030832 384947993 /nfs/dbraw/zinc/94/79/93/384947993.db2.gz YFFWWJAWNCUTTD-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000450423764 285149013 /nfs/dbraw/zinc/14/90/13/285149013.db2.gz JKUYVCWLXRWLRO-GFCCVEGCSA-N 1 2 298.306 2.536 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000271131043 385345735 /nfs/dbraw/zinc/34/57/35/385345735.db2.gz PVETTZNMOWZHJH-DZGCQCFKSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000271131043 385345738 /nfs/dbraw/zinc/34/57/38/385345738.db2.gz PVETTZNMOWZHJH-DZGCQCFKSA-N 1 2 276.336 2.657 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268269 385451474 /nfs/dbraw/zinc/45/14/74/385451474.db2.gz WMCITOCQFIPKOO-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000283268269 385451480 /nfs/dbraw/zinc/45/14/80/385451480.db2.gz WMCITOCQFIPKOO-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC000286691581 385687980 /nfs/dbraw/zinc/68/79/80/385687980.db2.gz XPJIBJGGTTWAAU-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO COC(=O)[C@@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000191646411 130269229 /nfs/dbraw/zinc/26/92/29/130269229.db2.gz XDMMGBIPDRRCIJ-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000191646411 130269232 /nfs/dbraw/zinc/26/92/32/130269232.db2.gz XDMMGBIPDRRCIJ-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356508 130287848 /nfs/dbraw/zinc/28/78/48/130287848.db2.gz ROAYEFQLDKVWQE-CYBMUJFWSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356508 130287851 /nfs/dbraw/zinc/28/78/51/130287851.db2.gz ROAYEFQLDKVWQE-CYBMUJFWSA-N 1 2 252.289 2.837 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000263874196 131350952 /nfs/dbraw/zinc/35/09/52/131350952.db2.gz JNYIUTFQPFWAFW-LLVKDONJSA-N 1 2 294.351 2.929 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000263874196 131350954 /nfs/dbraw/zinc/35/09/54/131350954.db2.gz JNYIUTFQPFWAFW-LLVKDONJSA-N 1 2 294.351 2.929 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375355616 393507883 /nfs/dbraw/zinc/50/78/83/393507883.db2.gz KMUNEXJUGCMNAZ-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375355616 393507888 /nfs/dbraw/zinc/50/78/88/393507888.db2.gz KMUNEXJUGCMNAZ-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000080239886 393725458 /nfs/dbraw/zinc/72/54/58/393725458.db2.gz NBPVXCUDAHHRMO-CYBMUJFWSA-N 1 2 276.292 2.665 20 5 CFBDLO Cc1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000112298613 393891051 /nfs/dbraw/zinc/89/10/51/393891051.db2.gz PDCURJOCXHEZBI-VOTSOKGWSA-N 1 2 283.287 2.950 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000430229972 393970678 /nfs/dbraw/zinc/97/06/78/393970678.db2.gz WYFNOHRBNOIXSJ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000430229972 393970682 /nfs/dbraw/zinc/97/06/82/393970682.db2.gz WYFNOHRBNOIXSJ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000125387461 394006963 /nfs/dbraw/zinc/00/69/63/394006963.db2.gz JQCMICJVABNETC-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000125387461 394006967 /nfs/dbraw/zinc/00/69/67/394006967.db2.gz JQCMICJVABNETC-AWEZNQCLSA-N 1 2 292.335 2.511 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000131494401 394134449 /nfs/dbraw/zinc/13/44/49/394134449.db2.gz RBNBVOVDDVZZGS-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc[nH+]c(C2CC2)n1 ZINC000286677023 394199507 /nfs/dbraw/zinc/19/95/07/394199507.db2.gz WMXSARLPJCJDOL-UHFFFAOYSA-N 1 2 298.346 2.941 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000152086202 394270438 /nfs/dbraw/zinc/27/04/38/394270438.db2.gz PKNRCVQTNFGTDD-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000152086202 394270439 /nfs/dbraw/zinc/27/04/39/394270439.db2.gz PKNRCVQTNFGTDD-UHFFFAOYSA-N 1 2 294.351 2.758 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153266677 394281071 /nfs/dbraw/zinc/28/10/71/394281071.db2.gz UKXUXMMFAMUECR-UHFFFAOYSA-N 1 2 289.266 2.619 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450825920 394340625 /nfs/dbraw/zinc/34/06/25/394340625.db2.gz FXXFPZSNBSFYGV-KOLCDFICSA-N 1 2 273.296 2.613 20 5 CFBDLO C[N@H+](CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000157560088 394347427 /nfs/dbraw/zinc/34/74/27/394347427.db2.gz ZNNIOGMLFROQAY-UHFFFAOYSA-N 1 2 295.339 2.865 20 5 CFBDLO C[N@@H+](CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000157560088 394347429 /nfs/dbraw/zinc/34/74/29/394347429.db2.gz ZNNIOGMLFROQAY-UHFFFAOYSA-N 1 2 295.339 2.865 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](F)C1 ZINC000451185326 394365823 /nfs/dbraw/zinc/36/58/23/394365823.db2.gz LKIUOTODOBLBFM-LBPRGKRZSA-N 1 2 282.315 2.926 20 5 CFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](F)C1 ZINC000451185326 394365824 /nfs/dbraw/zinc/36/58/24/394365824.db2.gz LKIUOTODOBLBFM-LBPRGKRZSA-N 1 2 282.315 2.926 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000356042143 155146225 /nfs/dbraw/zinc/14/62/25/155146225.db2.gz LHYXDXYOPQODHD-UHFFFAOYSA-N 1 2 297.318 2.642 20 5 CFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1C ZINC000355803807 155093111 /nfs/dbraw/zinc/09/31/11/155093111.db2.gz SRZAPXVWFSRVOY-UHFFFAOYSA-N 1 2 288.351 2.659 20 5 CFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1C ZINC000355803807 155093114 /nfs/dbraw/zinc/09/31/14/155093114.db2.gz SRZAPXVWFSRVOY-UHFFFAOYSA-N 1 2 288.351 2.659 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc[nH]n1 ZINC000350039061 163052534 /nfs/dbraw/zinc/05/25/34/163052534.db2.gz WYRLIMHBMKFUNX-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000350039061 163052536 /nfs/dbraw/zinc/05/25/36/163052536.db2.gz WYRLIMHBMKFUNX-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412047123 287217471 /nfs/dbraw/zinc/21/74/71/287217471.db2.gz RXQGFLATVSQREA-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412047123 287217472 /nfs/dbraw/zinc/21/74/72/287217472.db2.gz RXQGFLATVSQREA-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000010163217 170399777 /nfs/dbraw/zinc/39/97/77/170399777.db2.gz CNYMXTZACTYJPA-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000035277422 172097259 /nfs/dbraw/zinc/09/72/59/172097259.db2.gz WWERADVQPLYCNI-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330560333 287275279 /nfs/dbraw/zinc/27/52/79/287275279.db2.gz BJUFLZGKYIDZGJ-SNVBAGLBSA-N 1 2 250.298 2.675 20 5 CFBDLO C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330560333 287275280 /nfs/dbraw/zinc/27/52/80/287275280.db2.gz BJUFLZGKYIDZGJ-SNVBAGLBSA-N 1 2 250.298 2.675 20 5 CFBDLO Cc1nccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000038037267 174037728 /nfs/dbraw/zinc/03/77/28/174037728.db2.gz GNBGQHJEGPDADN-SNVBAGLBSA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1c(F)cccc1NCCCCn1cc[nH+]c1 ZINC000045108280 175308755 /nfs/dbraw/zinc/30/87/55/175308755.db2.gz VZQBCEZAXUGCBA-UHFFFAOYSA-N 1 2 278.287 2.823 20 5 CFBDLO COc1ccc(C[NH2+][C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000070943209 176015918 /nfs/dbraw/zinc/01/59/18/176015918.db2.gz VXISFMBNSYOWIN-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO CC1(C)CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330454902 278247904 /nfs/dbraw/zinc/24/79/04/278247904.db2.gz NMWPCLUPXMSCMU-CYBMUJFWSA-N 1 2 264.325 2.969 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@H](C)O1 ZINC000438364401 288214692 /nfs/dbraw/zinc/21/46/92/288214692.db2.gz NVJMUTZHAQVUNY-MXWKQRLJSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@H](C)O1 ZINC000438364401 288214693 /nfs/dbraw/zinc/21/46/93/288214693.db2.gz NVJMUTZHAQVUNY-MXWKQRLJSA-N 1 2 282.315 2.732 20 5 CFBDLO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330435202 280310199 /nfs/dbraw/zinc/31/01/99/280310199.db2.gz AQRPBKIAPWGTAJ-ZWNOBZJWSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000112298703 280595868 /nfs/dbraw/zinc/59/58/68/280595868.db2.gz PLWHZQIEVPRPER-AATRIKPKSA-N 1 2 283.287 2.950 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CCO)c1ccco1 ZINC000185110885 280833804 /nfs/dbraw/zinc/83/38/04/280833804.db2.gz JRTNQFGDJFMHMZ-GFCCVEGCSA-N 1 2 294.282 2.540 20 5 CFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000413237350 288280457 /nfs/dbraw/zinc/28/04/57/288280457.db2.gz OXPULJYSHLAMKJ-PHIMTYICSA-N 1 2 287.319 2.757 20 5 CFBDLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000393326693 281192915 /nfs/dbraw/zinc/19/29/15/281192915.db2.gz RRIBUVLLYYCEFV-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO COC(C)(C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560463279 282028559 /nfs/dbraw/zinc/02/85/59/282028559.db2.gz YVQCKNDGKJYSBH-UHFFFAOYSA-N 1 2 288.294 2.730 20 5 CFBDLO COC(C)(C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560463279 282028560 /nfs/dbraw/zinc/02/85/60/282028560.db2.gz YVQCKNDGKJYSBH-UHFFFAOYSA-N 1 2 288.294 2.730 20 5 CFBDLO CC(F)(F)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000565258601 290290356 /nfs/dbraw/zinc/29/03/56/290290356.db2.gz KMJQUKOCWIIEHY-XQRVVYSFSA-N 1 2 256.252 2.853 20 5 CFBDLO Cc1cn2c([nH+]1)CN(c1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000366613631 302324155 /nfs/dbraw/zinc/32/41/55/302324155.db2.gz KAHIRIOTJZEJEG-UHFFFAOYSA-N 1 2 292.726 2.773 20 5 CFBDLO Cc1nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000268425523 302598278 /nfs/dbraw/zinc/59/82/78/302598278.db2.gz AALNOPTXJRQJMZ-GFCCVEGCSA-N 1 2 287.323 2.753 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)n1 ZINC000166656399 322387721 /nfs/dbraw/zinc/38/77/21/322387721.db2.gz KUAQWOQNGAJYMD-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CO1 ZINC000569600774 322484438 /nfs/dbraw/zinc/48/44/38/322484438.db2.gz ZEGUVQHQHVZEFY-MWLCHTKSSA-N 1 2 273.292 2.732 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000391792204 324526776 /nfs/dbraw/zinc/52/67/76/324526776.db2.gz AMZGEPFFYJRSQS-QMMMGPOBSA-N 1 2 278.337 2.606 20 5 CFBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccn1 ZINC000191960402 519656007 /nfs/dbraw/zinc/65/60/07/519656007.db2.gz CQACCUMTMQAWEC-UHFFFAOYSA-N 1 2 286.335 2.795 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccn1 ZINC000191960402 519656008 /nfs/dbraw/zinc/65/60/08/519656008.db2.gz CQACCUMTMQAWEC-UHFFFAOYSA-N 1 2 286.335 2.795 20 5 CFBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361589611 521279086 /nfs/dbraw/zinc/27/90/86/521279086.db2.gz QCIXCHMLJMBIBG-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361589611 521279093 /nfs/dbraw/zinc/27/90/93/521279093.db2.gz QCIXCHMLJMBIBG-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO COC(=O)C1([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000159278941 522837183 /nfs/dbraw/zinc/83/71/83/522837183.db2.gz NSBXQFYOWYGXTL-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000159278941 522837190 /nfs/dbraw/zinc/83/71/90/522837190.db2.gz NSBXQFYOWYGXTL-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO CCn1ccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051923697 523539910 /nfs/dbraw/zinc/53/99/10/523539910.db2.gz SMWJMDYNCSTUMO-LLVKDONJSA-N 1 2 274.324 2.662 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC(CC(F)F)C2)cs1 ZINC000425369209 534879752 /nfs/dbraw/zinc/87/97/52/534879752.db2.gz ZGBUIKZDPUVSOJ-UHFFFAOYSA-N 1 2 262.281 2.743 20 5 CFBDLO Cc1ccoc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208648 525797501 /nfs/dbraw/zinc/79/75/01/525797501.db2.gz CSUSGMUXNSXKTB-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO Cc1ccoc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208648 525797509 /nfs/dbraw/zinc/79/75/09/525797509.db2.gz CSUSGMUXNSXKTB-UHFFFAOYSA-N 1 2 276.292 2.834 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3CC3)c2c1 ZINC000413169647 534884435 /nfs/dbraw/zinc/88/44/35/534884435.db2.gz OAAJRUNMHBLOJD-UHFFFAOYSA-N 1 2 257.293 2.777 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744986 535842231 /nfs/dbraw/zinc/84/22/31/535842231.db2.gz RKUWJOVXZPQEII-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744986 535842235 /nfs/dbraw/zinc/84/22/35/535842235.db2.gz RKUWJOVXZPQEII-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CN(CCCn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000269002168 536363813 /nfs/dbraw/zinc/36/38/13/536363813.db2.gz YJKJYZPYSMXTHN-UHFFFAOYSA-N 1 2 294.742 2.971 20 5 CFBDLO C[C@@H]1CCN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000744450170 574074809 /nfs/dbraw/zinc/07/48/09/574074809.db2.gz ODEMCGHKVPVXEO-LLVKDONJSA-N 1 2 297.786 2.680 20 5 CFBDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000725794009 574309221 /nfs/dbraw/zinc/30/92/21/574309221.db2.gz ZMHGSUNXVIZIFF-UHFFFAOYSA-N 1 2 289.266 2.781 20 5 CFBDLO CSCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000932586987 617887940 /nfs/dbraw/zinc/88/79/40/617887940.db2.gz USIWJKVJJWORMB-UHFFFAOYSA-N 1 2 296.392 2.875 20 5 CFBDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934478790 618050507 /nfs/dbraw/zinc/05/05/07/618050507.db2.gz NIAROMJDPZOXGZ-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000934478790 618050511 /nfs/dbraw/zinc/05/05/11/618050511.db2.gz NIAROMJDPZOXGZ-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1[nH]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cn2)[nH+]c1C ZINC000895193910 618459092 /nfs/dbraw/zinc/45/90/92/618459092.db2.gz WFXUYDDQPZWECC-LBPRGKRZSA-N 1 2 287.323 2.671 20 5 CFBDLO Nc1ccnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000925765735 619076694 /nfs/dbraw/zinc/07/66/94/619076694.db2.gz DDERBIFPGNAWKQ-MRXNPFEDSA-N 1 2 298.346 2.739 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000820580648 622707302 /nfs/dbraw/zinc/70/73/02/622707302.db2.gz AKEGDBPVQLIJMB-UHFFFAOYSA-N 1 2 278.699 2.534 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2cscn2)cc1[N+](=O)[O-] ZINC000070168422 625279394 /nfs/dbraw/zinc/27/93/94/625279394.db2.gz LXYKAJZIMWIJRA-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO Cc1c([C@H](C)[NH2+]Cc2ccon2)cccc1[N+](=O)[O-] ZINC000766422002 627201794 /nfs/dbraw/zinc/20/17/94/627201794.db2.gz ZEDBIJGGSKIQIS-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CCC2 ZINC000774212077 627904061 /nfs/dbraw/zinc/90/40/61/627904061.db2.gz YGMAYEBTMLWQRA-CQSZACIVSA-N 1 2 273.292 2.750 20 5 CFBDLO Cc1nn(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000789545806 629165052 /nfs/dbraw/zinc/16/50/52/629165052.db2.gz MTZMIPFTFBJUKI-UHFFFAOYSA-N 1 2 298.346 2.847 20 5 CFBDLO Cc1nn(C[N@H+]2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000789545806 629165053 /nfs/dbraw/zinc/16/50/53/629165053.db2.gz MTZMIPFTFBJUKI-UHFFFAOYSA-N 1 2 298.346 2.847 20 5 CFBDLO Cc1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000844445710 632214865 /nfs/dbraw/zinc/21/48/65/632214865.db2.gz FWYLMILLOLGLHO-LLVKDONJSA-N 1 2 289.291 2.656 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000859230923 636517105 /nfs/dbraw/zinc/51/71/05/636517105.db2.gz NXHIMORFTIDHFU-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1[N+](=O)[O-] ZINC000859237154 636518841 /nfs/dbraw/zinc/51/88/41/636518841.db2.gz PISKBFURBZADOP-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1CSCCn1cc[nH+]c1 ZINC000871709543 641417985 /nfs/dbraw/zinc/41/79/85/641417985.db2.gz CMFCYYNUZFZABB-UHFFFAOYSA-N 1 2 293.348 2.733 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000872091011 641624443 /nfs/dbraw/zinc/62/44/43/641624443.db2.gz DWDXTLJLDQLNNU-ZJUUUORDSA-N 1 2 292.314 2.879 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000878523742 643926269 /nfs/dbraw/zinc/92/62/69/643926269.db2.gz HUKJMQCWKICHAC-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000878523742 643926275 /nfs/dbraw/zinc/92/62/75/643926275.db2.gz HUKJMQCWKICHAC-CQSZACIVSA-N 1 2 286.335 2.963 20 5 CFBDLO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000879699633 644388403 /nfs/dbraw/zinc/38/84/03/644388403.db2.gz UDGZEIXMCBIQQH-UHFFFAOYSA-N 1 2 296.367 2.720 20 5 CFBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000880104839 644534046 /nfs/dbraw/zinc/53/40/46/644534046.db2.gz GFRBQVYUYWPSIX-SNVBAGLBSA-N 1 2 290.298 2.683 20 5 CFBDLO COc1ccccc1C1([NH2+]Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886263986 646938521 /nfs/dbraw/zinc/93/85/21/646938521.db2.gz MGFCDZPFBZMAQY-UHFFFAOYSA-N 1 2 299.330 2.777 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000886265185 646939612 /nfs/dbraw/zinc/93/96/12/646939612.db2.gz ALPNOHFQJPYTQZ-LBPRGKRZSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000886265185 646939613 /nfs/dbraw/zinc/93/96/13/646939613.db2.gz ALPNOHFQJPYTQZ-LBPRGKRZSA-N 1 2 291.351 2.523 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(C3CC3)no2)c(F)c1 ZINC000886270781 646943441 /nfs/dbraw/zinc/94/34/41/646943441.db2.gz MTGNHSHPELPEJL-UHFFFAOYSA-N 1 2 291.282 2.889 20 5 CFBDLO Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000889793066 647671308 /nfs/dbraw/zinc/67/13/08/647671308.db2.gz XVKHUXUVCWYOBV-UHFFFAOYSA-N 1 2 299.330 2.898 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458569 649432235 /nfs/dbraw/zinc/43/22/35/649432235.db2.gz IHFVFAWATINNNX-WDEREUQCSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458569 649432238 /nfs/dbraw/zinc/43/22/38/649432238.db2.gz IHFVFAWATINNNX-WDEREUQCSA-N 1 2 286.335 2.998 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@@]2(C)C2CC2)cc1[N+](=O)[O-] ZINC000934475038 649792417 /nfs/dbraw/zinc/79/24/17/649792417.db2.gz IJXSAPHZCXSSGB-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@@]2(C)C2CC2)cc1[N+](=O)[O-] ZINC000934475038 649792418 /nfs/dbraw/zinc/79/24/18/649792418.db2.gz IJXSAPHZCXSSGB-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1c[nH+]c(Nc2cc([N+](=O)[O-])ccc2C)c(N)c1 ZINC001211286408 770477020 /nfs/dbraw/zinc/47/70/20/770477020.db2.gz SUJWHLIMAULLJL-UHFFFAOYSA-N 1 2 258.281 2.932 20 5 CFBDLO CCOc1cc([N+](=O)[O-])ccc1NCc1cc[nH+]c(N)c1 ZINC001167617078 770993729 /nfs/dbraw/zinc/99/37/29/770993729.db2.gz GIQJUQHOAXVKPU-UHFFFAOYSA-N 1 2 288.307 2.583 20 5 CFBDLO Cn1c[nH+]cc1-c1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001231084142 777136727 /nfs/dbraw/zinc/13/67/27/777136727.db2.gz YCLXOJWEJVJOQF-HNNXBMFYSA-N 1 2 287.319 2.521 20 5 CFBDLO CC(C)[NH+]1CC(Oc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233777492 778074475 /nfs/dbraw/zinc/07/44/75/778074475.db2.gz CMWGAGFRGPQILT-UHFFFAOYSA-N 1 2 287.319 2.614 20 5 CFBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000127744438 778345751 /nfs/dbraw/zinc/34/57/51/778345751.db2.gz IKSDNFITUKJQPS-OAHLLOKOSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1cccc([C@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000127744438 778345758 /nfs/dbraw/zinc/34/57/58/778345758.db2.gz IKSDNFITUKJQPS-OAHLLOKOSA-N 1 2 286.335 2.894 20 5 CFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC001119691480 781852431 /nfs/dbraw/zinc/85/24/31/781852431.db2.gz JQFQEBCSLDWESQ-PELKAZGASA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC001119691480 781852438 /nfs/dbraw/zinc/85/24/38/781852438.db2.gz JQFQEBCSLDWESQ-PELKAZGASA-N 1 2 297.152 2.952 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000594512325 349436390 /nfs/dbraw/zinc/43/63/90/349436390.db2.gz KPHFINPAZARVAV-DGCLKSJQSA-N 1 2 286.335 2.977 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329098 349603391 /nfs/dbraw/zinc/60/33/91/349603391.db2.gz MZWXPJJESVCXDA-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595329098 349603392 /nfs/dbraw/zinc/60/33/92/349603392.db2.gz MZWXPJJESVCXDA-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000068320678 346847206 /nfs/dbraw/zinc/84/72/06/346847206.db2.gz WNODKVVDQNZBMS-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595290461 349592105 /nfs/dbraw/zinc/59/21/05/349592105.db2.gz BYGOHTAITJJRCT-UHFFFAOYSA-N 1 2 279.271 2.662 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000595290461 349592111 /nfs/dbraw/zinc/59/21/11/349592111.db2.gz BYGOHTAITJJRCT-UHFFFAOYSA-N 1 2 279.271 2.662 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000595347393 349607763 /nfs/dbraw/zinc/60/77/63/349607763.db2.gz UFRRUUYQJABMBP-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000595347393 349607766 /nfs/dbraw/zinc/60/77/66/349607766.db2.gz UFRRUUYQJABMBP-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(C)nc2)c1[N+](=O)[O-] ZINC000595438412 349625593 /nfs/dbraw/zinc/62/55/93/349625593.db2.gz PKOPNZJSAWNVHP-UHFFFAOYSA-N 1 2 290.323 2.620 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467577 349636163 /nfs/dbraw/zinc/63/61/63/349636163.db2.gz HXMJFLBWWYBVHS-SFYZADRCSA-N 1 2 293.245 2.664 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1[N+](=O)[O-] ZINC000595467577 349636165 /nfs/dbraw/zinc/63/61/65/349636165.db2.gz HXMJFLBWWYBVHS-SFYZADRCSA-N 1 2 293.245 2.664 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000595558650 349658966 /nfs/dbraw/zinc/65/89/66/349658966.db2.gz OHSGNFLUMOWZJS-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000595558650 349658968 /nfs/dbraw/zinc/65/89/68/349658968.db2.gz OHSGNFLUMOWZJS-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H](C)[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595601420 349670814 /nfs/dbraw/zinc/67/08/14/349670814.db2.gz RLIHDLCOWFDLEC-JTQLQIEISA-N 1 2 252.314 2.921 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595676935 349697282 /nfs/dbraw/zinc/69/72/82/349697282.db2.gz WGQPQQLDBQIEIH-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000595676935 349697284 /nfs/dbraw/zinc/69/72/84/349697284.db2.gz WGQPQQLDBQIEIH-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2nccnc2C1 ZINC000595864688 349757491 /nfs/dbraw/zinc/75/74/91/349757491.db2.gz QIZXCDUVZUWARV-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2nccnc2C1 ZINC000595864688 349757497 /nfs/dbraw/zinc/75/74/97/349757497.db2.gz QIZXCDUVZUWARV-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO CN(C[C@H]1CCCO1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413109147 529967757 /nfs/dbraw/zinc/96/77/57/529967757.db2.gz FSDFJWIKCLPRSB-CYBMUJFWSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3C[C@H](O)C34CCC4)c2c1 ZINC000596502731 349922577 /nfs/dbraw/zinc/92/25/77/349922577.db2.gz FXNNYCYWUDOWOT-KBPBESRZSA-N 1 2 299.330 2.858 20 5 CFBDLO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075624478 347088572 /nfs/dbraw/zinc/08/85/72/347088572.db2.gz YBGXZVOCBYPABQ-RYUDHWBXSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075624478 347088576 /nfs/dbraw/zinc/08/85/76/347088576.db2.gz YBGXZVOCBYPABQ-RYUDHWBXSA-N 1 2 264.325 2.767 20 5 CFBDLO Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000176196564 232328248 /nfs/dbraw/zinc/32/82/48/232328248.db2.gz NTXUHBLDJUOTSN-UHFFFAOYSA-N 1 2 277.305 2.920 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000016419884 346238288 /nfs/dbraw/zinc/23/82/88/346238288.db2.gz ALFQDKWWTNAIRR-NSHDSACASA-N 1 2 293.367 2.502 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000016419884 346238291 /nfs/dbraw/zinc/23/82/91/346238291.db2.gz ALFQDKWWTNAIRR-NSHDSACASA-N 1 2 293.367 2.502 20 5 CFBDLO Cc1cnc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078662293 347268443 /nfs/dbraw/zinc/26/84/43/347268443.db2.gz UFTCIEOMUTWYFH-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000093480765 347675433 /nfs/dbraw/zinc/67/54/33/347675433.db2.gz LPKMGJAQMIWKDS-MNOVXSKESA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000093480765 347675435 /nfs/dbraw/zinc/67/54/35/347675435.db2.gz LPKMGJAQMIWKDS-MNOVXSKESA-N 1 2 264.325 2.778 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093501911 347677957 /nfs/dbraw/zinc/67/79/57/347677957.db2.gz KAVDOQHVUKSKRD-GFCCVEGCSA-N 1 2 282.365 2.628 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093501911 347677962 /nfs/dbraw/zinc/67/79/62/347677962.db2.gz KAVDOQHVUKSKRD-GFCCVEGCSA-N 1 2 282.365 2.628 20 5 CFBDLO CCOc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000139854641 347923000 /nfs/dbraw/zinc/92/30/00/347923000.db2.gz RHDXXEVRNWZDKB-SECBINFHSA-N 1 2 276.296 2.890 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000413079171 233015645 /nfs/dbraw/zinc/01/56/45/233015645.db2.gz YCBZHXIIHNKZKQ-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc(NC3CC3)nc[nH+]2)cc1 ZINC000413079171 233015649 /nfs/dbraw/zinc/01/56/49/233015649.db2.gz YCBZHXIIHNKZKQ-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO COc1cc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1C ZINC000314822099 348428110 /nfs/dbraw/zinc/42/81/10/348428110.db2.gz WHRPJRBKUORAAZ-UHFFFAOYSA-N 1 2 290.323 2.611 20 5 CFBDLO CO[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413302785 233049660 /nfs/dbraw/zinc/04/96/60/233049660.db2.gz USHRNWBPDVOVSN-AWEZNQCLSA-N 1 2 287.319 2.980 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413311408 233050437 /nfs/dbraw/zinc/05/04/37/233050437.db2.gz ILANXJUKOQLANF-UHFFFAOYSA-N 1 2 290.298 2.877 20 5 CFBDLO CCc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000588063408 348769354 /nfs/dbraw/zinc/76/93/54/348769354.db2.gz BZPXPVJUHQLGNG-UHFFFAOYSA-N 1 2 286.335 2.626 20 5 CFBDLO COc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1[N+](=O)[O-] ZINC000587397023 348762020 /nfs/dbraw/zinc/76/20/20/348762020.db2.gz SNIZOJQDDIHLRF-UHFFFAOYSA-N 1 2 298.302 2.514 20 5 CFBDLO O=[N+]([O-])c1cc(CO)cc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000592986401 349181360 /nfs/dbraw/zinc/18/13/60/349181360.db2.gz HHVCOPXABRLDMC-UHFFFAOYSA-N 1 2 299.330 2.749 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593064494 349199186 /nfs/dbraw/zinc/19/91/86/349199186.db2.gz ZHQKNLCAEZDNOH-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593064494 349199188 /nfs/dbraw/zinc/19/91/88/349199188.db2.gz ZHQKNLCAEZDNOH-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593065226 349200271 /nfs/dbraw/zinc/20/02/71/349200271.db2.gz ZYGDAMZGCXXZMF-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593065226 349200276 /nfs/dbraw/zinc/20/02/76/349200276.db2.gz ZYGDAMZGCXXZMF-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000593079623 349202839 /nfs/dbraw/zinc/20/28/39/349202839.db2.gz GEYHAKVILBHNMK-UHFFFAOYSA-N 1 2 262.309 2.723 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cscn1 ZINC000594493038 349429109 /nfs/dbraw/zinc/42/91/09/349429109.db2.gz DQTUTAKAAAJPRN-LBPRGKRZSA-N 1 2 275.333 2.828 20 5 CFBDLO O=[N+]([O-])c1c(NCC2(CCO)CC2)ccc2c[nH+]ccc21 ZINC000599071813 350370601 /nfs/dbraw/zinc/37/06/01/350370601.db2.gz UBPUOLADMKJWOO-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO CC(C)(CO)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084263 350373517 /nfs/dbraw/zinc/37/35/17/350373517.db2.gz VSUFWUFVFWAVKV-UHFFFAOYSA-N 1 2 289.335 2.964 20 5 CFBDLO CCC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086925 350374426 /nfs/dbraw/zinc/37/44/26/350374426.db2.gz BKTOJWISMYOSLC-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO O=[N+]([O-])c1c(N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc2c[nH+]ccc21 ZINC000599096830 350375216 /nfs/dbraw/zinc/37/52/16/350375216.db2.gz WWSQUVVBRSVLQZ-HONMWMINSA-N 1 2 285.303 2.875 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cn3)C2)c1 ZINC000599100288 350376054 /nfs/dbraw/zinc/37/60/54/350376054.db2.gz LXLNDQOWWZLRSQ-CYBMUJFWSA-N 1 2 298.346 2.996 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cs1 ZINC000601973545 350821545 /nfs/dbraw/zinc/82/15/45/350821545.db2.gz PVVXAFKRAFTILK-SECBINFHSA-N 1 2 292.307 2.512 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cs1 ZINC000601973545 350821548 /nfs/dbraw/zinc/82/15/48/350821548.db2.gz PVVXAFKRAFTILK-SECBINFHSA-N 1 2 292.307 2.512 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCCn2nccc21 ZINC000603026839 351091654 /nfs/dbraw/zinc/09/16/54/351091654.db2.gz DKJAATFZLWKXDF-GFCCVEGCSA-N 1 2 290.298 2.555 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3cccnc3[N+](=O)[O-])cn2c1 ZINC000603942590 351192915 /nfs/dbraw/zinc/19/29/15/351192915.db2.gz MQFKEWUGPUERFE-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610662126 351589465 /nfs/dbraw/zinc/58/94/65/351589465.db2.gz LHOSLOFBPLASLQ-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610662126 351589470 /nfs/dbraw/zinc/58/94/70/351589470.db2.gz LHOSLOFBPLASLQ-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000611080153 351638306 /nfs/dbraw/zinc/63/83/06/351638306.db2.gz NTHXITWJYQCBOG-JTQLQIEISA-N 1 2 290.348 2.742 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080144 351638522 /nfs/dbraw/zinc/63/85/22/351638522.db2.gz LZPSDXAQDZNBKR-JTQLQIEISA-N 1 2 290.348 2.742 20 5 CFBDLO C[N@H+](CCOC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611274719 351662508 /nfs/dbraw/zinc/66/25/08/351662508.db2.gz MXFVLKSYSKTDGC-UHFFFAOYSA-N 1 2 282.340 2.547 20 5 CFBDLO C[N@@H+](CCOC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611274719 351662510 /nfs/dbraw/zinc/66/25/10/351662510.db2.gz MXFVLKSYSKTDGC-UHFFFAOYSA-N 1 2 282.340 2.547 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000611474267 351694708 /nfs/dbraw/zinc/69/47/08/351694708.db2.gz OFKRVXGXBLSDQI-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1cn[nH]c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291738933 198076255 /nfs/dbraw/zinc/07/62/55/198076255.db2.gz OPSOGAAWACOYIA-UHFFFAOYSA-N 1 2 274.324 2.651 20 5 CFBDLO Cc1c[nH]nc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291738933 198076256 /nfs/dbraw/zinc/07/62/56/198076256.db2.gz OPSOGAAWACOYIA-UHFFFAOYSA-N 1 2 274.324 2.651 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271540096 191200219 /nfs/dbraw/zinc/20/02/19/191200219.db2.gz QQYXURKTYPNSEM-ZJUUUORDSA-N 1 2 289.339 2.687 20 5 CFBDLO CCn1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000616737750 352426215 /nfs/dbraw/zinc/42/62/15/352426215.db2.gz KHTZRWYAMDKBIP-UHFFFAOYSA-N 1 2 289.335 2.754 20 5 CFBDLO CCn1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000616737750 352426219 /nfs/dbraw/zinc/42/62/19/352426219.db2.gz KHTZRWYAMDKBIP-UHFFFAOYSA-N 1 2 289.335 2.754 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154148032 188125843 /nfs/dbraw/zinc/12/58/43/188125843.db2.gz JYDYUZOCFUPLQN-GFCCVEGCSA-N 1 2 276.336 2.911 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCC2)C1 ZINC000154148032 188125845 /nfs/dbraw/zinc/12/58/45/188125845.db2.gz JYDYUZOCFUPLQN-GFCCVEGCSA-N 1 2 276.336 2.911 20 5 CFBDLO Cc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000271692096 191279149 /nfs/dbraw/zinc/27/91/49/191279149.db2.gz RPVRQIYAMAHUTF-MRVPVSSYSA-N 1 2 278.337 2.606 20 5 CFBDLO CCn1cc[nH+]c1CNc1cccc(F)c1[N+](=O)[O-] ZINC000294863916 199220289 /nfs/dbraw/zinc/22/02/89/199220289.db2.gz AJWCJFWICPNFNZ-UHFFFAOYSA-N 1 2 264.260 2.562 20 5 CFBDLO Cc1cccnc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180415941 189254208 /nfs/dbraw/zinc/25/42/08/189254208.db2.gz CAWPXMJYPDZMEJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cccnc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000180415941 189254209 /nfs/dbraw/zinc/25/42/09/189254209.db2.gz CAWPXMJYPDZMEJ-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cc(NCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000301412493 201000832 /nfs/dbraw/zinc/00/08/32/201000832.db2.gz CCGXGIUXLXORCL-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1cc(NCCn2cc[nH+]c2)c2cccc([N+](=O)[O-])c2n1 ZINC000302163934 201375432 /nfs/dbraw/zinc/37/54/32/201375432.db2.gz ZFPNDVJARKFGAZ-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275232510 192969261 /nfs/dbraw/zinc/96/92/61/192969261.db2.gz NEPXHMGQDKURSY-MNOVXSKESA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275232510 192969264 /nfs/dbraw/zinc/96/92/64/192969264.db2.gz NEPXHMGQDKURSY-MNOVXSKESA-N 1 2 262.309 2.567 20 5 CFBDLO CO[C@H](C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353208481 294266526 /nfs/dbraw/zinc/26/65/26/294266526.db2.gz XCWOXPNNEGXDGK-SECBINFHSA-N 1 2 272.732 2.715 20 5 CFBDLO CO[C@H](C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353208481 294266513 /nfs/dbraw/zinc/26/65/13/294266513.db2.gz XCWOXPNNEGXDGK-SECBINFHSA-N 1 2 272.732 2.715 20 5 CFBDLO Cc1ccoc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446831179 241330455 /nfs/dbraw/zinc/33/04/55/241330455.db2.gz BERKYNUWGRRGAE-UHFFFAOYSA-N 1 2 286.291 2.662 20 5 CFBDLO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cs1 ZINC000331464464 203870760 /nfs/dbraw/zinc/87/07/60/203870760.db2.gz ZOWXTVYJCUVZIQ-JTQLQIEISA-N 1 2 278.337 2.717 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCCNc1cccc[nH+]1 ZINC000029845230 372387833 /nfs/dbraw/zinc/38/78/33/372387833.db2.gz HVBFRULICWSCRP-UHFFFAOYSA-N 1 2 258.281 2.514 20 5 CFBDLO Cc1cc(N)nc(SCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000042153360 372877684 /nfs/dbraw/zinc/87/76/84/372877684.db2.gz QVNMKYPCINIDDW-UHFFFAOYSA-N 1 2 290.348 2.610 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000072980119 374310175 /nfs/dbraw/zinc/31/01/75/374310175.db2.gz TUMKTPZVOWCTAV-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000072980119 374310178 /nfs/dbraw/zinc/31/01/78/374310178.db2.gz TUMKTPZVOWCTAV-CQSZACIVSA-N 1 2 278.352 2.842 20 5 CFBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008036 374983379 /nfs/dbraw/zinc/98/33/79/374983379.db2.gz FIQOXVUDZLDTHA-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCOC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000090008036 374983385 /nfs/dbraw/zinc/98/33/85/374983385.db2.gz FIQOXVUDZLDTHA-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774473 375378189 /nfs/dbraw/zinc/37/81/89/375378189.db2.gz CAWPBBHGYQFUBM-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774473 375378194 /nfs/dbraw/zinc/37/81/94/375378194.db2.gz CAWPBBHGYQFUBM-JQWIXIFHSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139787651 378236279 /nfs/dbraw/zinc/23/62/79/378236279.db2.gz KZJSCUKAPXJGQC-MRVPVSSYSA-N 1 2 281.703 2.930 20 5 CFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1[nH]cc[nH+]1 ZINC000140465108 378238113 /nfs/dbraw/zinc/23/81/13/378238113.db2.gz BUXDRXZQSBVVDJ-LBPRGKRZSA-N 1 2 288.307 2.507 20 5 CFBDLO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330414511 378549228 /nfs/dbraw/zinc/54/92/28/378549228.db2.gz TXMJBTFUQSXKSL-CABZTGNLSA-N 1 2 250.298 2.579 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452142 378559353 /nfs/dbraw/zinc/55/93/53/378559353.db2.gz KIYAVLXGEOAEEM-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330452142 378559363 /nfs/dbraw/zinc/55/93/63/378559363.db2.gz KIYAVLXGEOAEEM-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448149 378559815 /nfs/dbraw/zinc/55/98/15/378559815.db2.gz YWHXRWYFQWCCOY-CYBMUJFWSA-N 1 2 264.325 2.921 20 5 CFBDLO CC(C)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448149 378559819 /nfs/dbraw/zinc/55/98/19/378559819.db2.gz YWHXRWYFQWCCOY-CYBMUJFWSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000332201185 378735210 /nfs/dbraw/zinc/73/52/10/378735210.db2.gz CGAUEQYHOUJXND-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000332201185 378735215 /nfs/dbraw/zinc/73/52/15/378735215.db2.gz CGAUEQYHOUJXND-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000332031512 378718818 /nfs/dbraw/zinc/71/88/18/378718818.db2.gz XGUFPFAWOKBJTI-UHFFFAOYSA-N 1 2 250.298 2.673 20 5 CFBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000332031512 378718825 /nfs/dbraw/zinc/71/88/25/378718825.db2.gz XGUFPFAWOKBJTI-UHFFFAOYSA-N 1 2 250.298 2.673 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000367964792 380866238 /nfs/dbraw/zinc/86/62/38/380866238.db2.gz QPHVMTRGHQBUBJ-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000367964792 380866255 /nfs/dbraw/zinc/86/62/55/380866255.db2.gz QPHVMTRGHQBUBJ-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000353840599 380892333 /nfs/dbraw/zinc/89/23/33/380892333.db2.gz IHOCCDSMXIWUPP-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000341359142 380964306 /nfs/dbraw/zinc/96/43/06/380964306.db2.gz NJMWYRHWUKFAKS-UHFFFAOYSA-N 1 2 278.239 2.717 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000358767753 381070954 /nfs/dbraw/zinc/07/09/54/381070954.db2.gz JZAZKKSIAVNJCE-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c(Cl)c1 ZINC000370223520 381406955 /nfs/dbraw/zinc/40/69/55/381406955.db2.gz CRFAMZLCDQOLJQ-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)c(Cl)c1 ZINC000370223520 381406962 /nfs/dbraw/zinc/40/69/62/381406962.db2.gz CRFAMZLCDQOLJQ-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296720228 381519799 /nfs/dbraw/zinc/51/97/99/381519799.db2.gz MXPFUINMGWEZIG-JTQLQIEISA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cccc(CCNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000359842962 381635966 /nfs/dbraw/zinc/63/59/66/381635966.db2.gz IDDISOZYDCPQPP-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361419637 381827371 /nfs/dbraw/zinc/82/73/71/381827371.db2.gz FYHOAPXXSZJUER-NSHDSACASA-N 1 2 282.315 2.733 20 5 CFBDLO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361419637 381827376 /nfs/dbraw/zinc/82/73/76/381827376.db2.gz FYHOAPXXSZJUER-NSHDSACASA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccsc2)cs1 ZINC000349611311 381972541 /nfs/dbraw/zinc/97/25/41/381972541.db2.gz NMRAMSSVXNLUHS-JTQLQIEISA-N 1 2 284.362 2.541 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323416 382078876 /nfs/dbraw/zinc/07/88/76/382078876.db2.gz GBWRCNXWTSJVQO-FRRDWIJNSA-N 1 2 277.368 2.680 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293323416 382078885 /nfs/dbraw/zinc/07/88/85/382078885.db2.gz GBWRCNXWTSJVQO-FRRDWIJNSA-N 1 2 277.368 2.680 20 5 CFBDLO Cc1cc(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000301110219 382084639 /nfs/dbraw/zinc/08/46/39/382084639.db2.gz OHRXFYSYHGMPBH-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CCc1nocc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293520056 382154661 /nfs/dbraw/zinc/15/46/61/382154661.db2.gz VWNILIGHVITGPH-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293520056 382154664 /nfs/dbraw/zinc/15/46/64/382154664.db2.gz VWNILIGHVITGPH-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO CCc1[nH+]c(C(C)C)ccc1Cn1ncc([N+](=O)[O-])c1N ZINC000418900626 382190556 /nfs/dbraw/zinc/19/05/56/382190556.db2.gz NGARAEKSEQRDMN-UHFFFAOYSA-N 1 2 289.339 2.503 20 5 CFBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c3cnccc23)c[nH+]1 ZINC000302659409 382285001 /nfs/dbraw/zinc/28/50/01/382285001.db2.gz ASWYDPHBHNRAAZ-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364721404 382353168 /nfs/dbraw/zinc/35/31/68/382353168.db2.gz HLAOJBBOPUNKMU-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294030767 382386433 /nfs/dbraw/zinc/38/64/33/382386433.db2.gz OFVHFEOSKHHUCV-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294030767 382386439 /nfs/dbraw/zinc/38/64/39/382386439.db2.gz OFVHFEOSKHHUCV-HZPDHXFCSA-N 1 2 288.347 2.738 20 5 CFBDLO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000294202534 382458174 /nfs/dbraw/zinc/45/81/74/382458174.db2.gz SZUUVBXFLHJNTD-JQWIXIFHSA-N 1 2 272.308 2.587 20 5 CFBDLO CO[C@@H](C)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353208483 382528234 /nfs/dbraw/zinc/52/82/34/382528234.db2.gz XCWOXPNNEGXDGK-VIFPVBQESA-N 1 2 272.732 2.715 20 5 CFBDLO CO[C@@H](C)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353208483 382528237 /nfs/dbraw/zinc/52/82/37/382528237.db2.gz XCWOXPNNEGXDGK-VIFPVBQESA-N 1 2 272.732 2.715 20 5 CFBDLO COC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358204855 382505128 /nfs/dbraw/zinc/50/51/28/382505128.db2.gz QCUSGBLHARCFRN-CQSZACIVSA-N 1 2 292.379 2.931 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1F ZINC000227400944 382836820 /nfs/dbraw/zinc/83/68/20/382836820.db2.gz XJUCJGYFKYIVJW-HUUCEWRRSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1F ZINC000227400944 382836821 /nfs/dbraw/zinc/83/68/21/382836821.db2.gz XJUCJGYFKYIVJW-HUUCEWRRSA-N 1 2 294.326 2.877 20 5 CFBDLO CCC[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898110 383079181 /nfs/dbraw/zinc/07/91/81/383079181.db2.gz FHBNDHKOHYTCQO-JTQLQIEISA-N 1 2 252.314 2.921 20 5 CFBDLO CCC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898110 383079186 /nfs/dbraw/zinc/07/91/86/383079186.db2.gz FHBNDHKOHYTCQO-JTQLQIEISA-N 1 2 252.314 2.921 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000339057980 383134972 /nfs/dbraw/zinc/13/49/72/383134972.db2.gz KDRQNDKJEYWNHA-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2ccsc2C1 ZINC000339057980 383134974 /nfs/dbraw/zinc/13/49/74/383134974.db2.gz KDRQNDKJEYWNHA-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccn1 ZINC000339082602 383142278 /nfs/dbraw/zinc/14/22/78/383142278.db2.gz VRNSLKSQXZLGIG-SNVBAGLBSA-N 1 2 273.292 2.546 20 5 CFBDLO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339083973 383143685 /nfs/dbraw/zinc/14/36/85/383143685.db2.gz OOKHTZCYMHMVSA-NXEZZACHSA-N 1 2 252.314 2.825 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ncccc1O)C1CC1 ZINC000567311645 383261536 /nfs/dbraw/zinc/26/15/36/383261536.db2.gz NAQVEBPKZGFDSI-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000526073762 383427034 /nfs/dbraw/zinc/42/70/34/383427034.db2.gz GBCSRQGYOVCVAO-UHFFFAOYSA-N 1 2 278.699 2.506 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000264647590 383768143 /nfs/dbraw/zinc/76/81/43/383768143.db2.gz HRGCDIUDEBYOCI-UHFFFAOYSA-N 1 2 270.292 2.874 20 5 CFBDLO COc1ccc(C[NH2+]Cc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000266151648 384096765 /nfs/dbraw/zinc/09/67/65/384096765.db2.gz KOUZILOWZGJBOH-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO Cc1nc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000289373022 197318071 /nfs/dbraw/zinc/31/80/71/197318071.db2.gz KJFCIAFFOCNJFV-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1nc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000289373022 197318073 /nfs/dbraw/zinc/31/80/73/197318073.db2.gz KJFCIAFFOCNJFV-JTQLQIEISA-N 1 2 290.323 2.522 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C2CC2)O1 ZINC000279382851 384619247 /nfs/dbraw/zinc/61/92/47/384619247.db2.gz SXBVOTRRNDVWMF-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C2CC2)O1 ZINC000279382851 384619257 /nfs/dbraw/zinc/61/92/57/384619257.db2.gz SXBVOTRRNDVWMF-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C2CC2)O1 ZINC000282470244 385321147 /nfs/dbraw/zinc/32/11/47/385321147.db2.gz KQLPTNMIYVRLEG-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C2CC2)O1 ZINC000282470244 385321155 /nfs/dbraw/zinc/32/11/55/385321155.db2.gz KQLPTNMIYVRLEG-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccco2)c(F)c1 ZINC000274424557 385795540 /nfs/dbraw/zinc/79/55/40/385795540.db2.gz QZBLJFRFKDXJKC-ZDUSSCGKSA-N 1 2 294.282 2.540 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276928223 386082169 /nfs/dbraw/zinc/08/21/69/386082169.db2.gz QJTVBDOLFHBFJY-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000276928223 386082176 /nfs/dbraw/zinc/08/21/76/386082176.db2.gz QJTVBDOLFHBFJY-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413174391 533631246 /nfs/dbraw/zinc/63/12/46/533631246.db2.gz RZNVULKJBVNFJC-JTQLQIEISA-N 1 2 275.308 2.573 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500150 132018772 /nfs/dbraw/zinc/01/87/72/132018772.db2.gz HNRXUBJPXAUUMJ-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500150 132018773 /nfs/dbraw/zinc/01/87/73/132018773.db2.gz HNRXUBJPXAUUMJ-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CN(C)c1ccc(CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000046484155 393578274 /nfs/dbraw/zinc/57/82/74/393578274.db2.gz DQRFURGVRIFWLP-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO Cc1nn(Cc2[nH+]ccn2-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000429245380 393948197 /nfs/dbraw/zinc/94/81/97/393948197.db2.gz JTKHTXAVYHQAPU-UHFFFAOYSA-N 1 2 297.318 2.642 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430203510 393968354 /nfs/dbraw/zinc/96/83/54/393968354.db2.gz OJIXPSXVVIFIHG-CQSZACIVSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430203510 393968356 /nfs/dbraw/zinc/96/83/56/393968356.db2.gz OJIXPSXVVIFIHG-CQSZACIVSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420961454 394141463 /nfs/dbraw/zinc/14/14/63/394141463.db2.gz SIKHIXLHLZRFFB-HUUCEWRRSA-N 1 2 278.352 2.984 20 5 CFBDLO CN(C)c1ccc(NCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000150913611 394255839 /nfs/dbraw/zinc/25/58/39/394255839.db2.gz PJLRYCQGNWEZEK-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000364410430 394210490 /nfs/dbraw/zinc/21/04/90/394210490.db2.gz ZGIIYKFNCPUFPB-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000364410430 394210493 /nfs/dbraw/zinc/21/04/93/394210493.db2.gz ZGIIYKFNCPUFPB-UHFFFAOYSA-N 1 2 290.298 2.841 20 5 CFBDLO Cc1nnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000540953367 394659423 /nfs/dbraw/zinc/65/94/23/394659423.db2.gz HDGMROTXFRYDJF-SECBINFHSA-N 1 2 292.364 2.914 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2ccc(CO)c[nH+]2)c(Cl)c1 ZINC000356310909 155219793 /nfs/dbraw/zinc/21/97/93/155219793.db2.gz ATMNFMXDTOJYQR-UHFFFAOYSA-N 1 2 293.710 2.748 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc2c(c1)[nH+]cn2C ZINC000356855864 155396327 /nfs/dbraw/zinc/39/63/27/155396327.db2.gz LMCSBWNQMCQFBC-UHFFFAOYSA-N 1 2 283.291 2.929 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375332346 157228959 /nfs/dbraw/zinc/22/89/59/157228959.db2.gz OQLFKVWMFCAHSC-WMHVBEDNSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000375332346 157228960 /nfs/dbraw/zinc/22/89/60/157228960.db2.gz OQLFKVWMFCAHSC-WMHVBEDNSA-N 1 2 288.347 2.719 20 5 CFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cscn1 ZINC000285381193 196267016 /nfs/dbraw/zinc/26/70/16/196267016.db2.gz RQFRNAAFGJDHRJ-UHFFFAOYSA-N 1 2 277.349 2.726 20 5 CFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cscn1 ZINC000285381193 196267018 /nfs/dbraw/zinc/26/70/18/196267018.db2.gz RQFRNAAFGJDHRJ-UHFFFAOYSA-N 1 2 277.349 2.726 20 5 CFBDLO Cc1cc(N[C@H](c2[nH]cc[nH+]2)C(C)C)ncc1[N+](=O)[O-] ZINC000285495774 196304164 /nfs/dbraw/zinc/30/41/64/196304164.db2.gz DZGKKGUHEDIBKW-LBPRGKRZSA-N 1 2 275.312 2.831 20 5 CFBDLO Cc1nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000285559589 196326954 /nfs/dbraw/zinc/32/69/54/196326954.db2.gz JCSYHRRLWRAGFW-LBPRGKRZSA-N 1 2 275.312 2.831 20 5 CFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285723892 196379256 /nfs/dbraw/zinc/37/92/56/196379256.db2.gz QFXYZKARIUDAAU-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285723892 196379257 /nfs/dbraw/zinc/37/92/57/196379257.db2.gz QFXYZKARIUDAAU-CYBMUJFWSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000044692671 175234009 /nfs/dbraw/zinc/23/40/09/175234009.db2.gz ODKUYMFSCHFYSE-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1 ZINC000045108323 175309032 /nfs/dbraw/zinc/30/90/32/175309032.db2.gz GRXJKFAYDJAVAR-UHFFFAOYSA-N 1 2 274.324 2.992 20 5 CFBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070741034 176004579 /nfs/dbraw/zinc/00/45/79/176004579.db2.gz ASVCEXFTTWLURN-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070741034 176004581 /nfs/dbraw/zinc/00/45/81/176004581.db2.gz ASVCEXFTTWLURN-AWEZNQCLSA-N 1 2 292.335 2.512 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000392374632 270306892 /nfs/dbraw/zinc/30/68/92/270306892.db2.gz HYRMNTAVHLQGGL-UWVGGRQHSA-N 1 2 289.339 2.742 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514683300 270349344 /nfs/dbraw/zinc/34/93/44/270349344.db2.gz RVLKCKGPONSXLT-OCAPTIKFSA-N 1 2 256.252 2.856 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514683300 270349346 /nfs/dbraw/zinc/34/93/46/270349346.db2.gz RVLKCKGPONSXLT-OCAPTIKFSA-N 1 2 256.252 2.856 20 5 CFBDLO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413035902 276499918 /nfs/dbraw/zinc/49/99/18/276499918.db2.gz DAXHKTAEQBWACB-CYBMUJFWSA-N 1 2 287.319 2.758 20 5 CFBDLO CN(c1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000413286621 277004652 /nfs/dbraw/zinc/00/46/52/277004652.db2.gz ZIYAKIAZPCDEBZ-CYBMUJFWSA-N 1 2 287.319 2.758 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179864608 278036159 /nfs/dbraw/zinc/03/61/59/278036159.db2.gz DRLYOGNRRWKWRD-LBPRGKRZSA-N 1 2 278.352 2.939 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179864608 278036160 /nfs/dbraw/zinc/03/61/60/278036160.db2.gz DRLYOGNRRWKWRD-LBPRGKRZSA-N 1 2 278.352 2.939 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000438362778 280364090 /nfs/dbraw/zinc/36/40/90/280364090.db2.gz DWZUIDHLESYDBX-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000438362778 280364091 /nfs/dbraw/zinc/36/40/91/280364091.db2.gz DWZUIDHLESYDBX-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302244092 280374992 /nfs/dbraw/zinc/37/49/92/280374992.db2.gz ZGEQOCBMXDKBCC-UHFFFAOYSA-N 1 2 298.346 2.707 20 5 CFBDLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456461 281227135 /nfs/dbraw/zinc/22/71/35/281227135.db2.gz PDMCQCPKCKCWAM-PWSUYJOCSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456461 281227137 /nfs/dbraw/zinc/22/71/37/281227137.db2.gz PDMCQCPKCKCWAM-PWSUYJOCSA-N 1 2 264.325 2.921 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488097528 290032504 /nfs/dbraw/zinc/03/25/04/290032504.db2.gz NVVOKNFRNAPDOR-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1csnn1 ZINC000565219641 290283825 /nfs/dbraw/zinc/28/38/25/290283825.db2.gz XKCICCPJKBRPEW-KCJUWKMLSA-N 1 2 290.348 2.784 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ncccc1F ZINC000565371480 290298063 /nfs/dbraw/zinc/29/80/63/290298063.db2.gz DNMPNAJGRQRIBC-CYBMUJFWSA-N 1 2 287.294 2.906 20 5 CFBDLO Cn1cc[nH+]c1[C@H]1N(c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295894945 303010893 /nfs/dbraw/zinc/01/08/93/303010893.db2.gz BZXKEXUOAQRTGY-CYBMUJFWSA-N 1 2 286.335 2.916 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065541577 520765766 /nfs/dbraw/zinc/76/57/66/520765766.db2.gz VQMDRGNFDBQAMD-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000065541577 520765776 /nfs/dbraw/zinc/76/57/76/520765776.db2.gz VQMDRGNFDBQAMD-UHFFFAOYSA-N 1 2 294.351 2.616 20 5 CFBDLO CCN(CC)c1ccc(Nc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000052314678 520922120 /nfs/dbraw/zinc/92/21/20/520922120.db2.gz RIULPBFGHOLRFQ-UHFFFAOYSA-N 1 2 287.323 2.975 20 5 CFBDLO CC[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139797627 522779150 /nfs/dbraw/zinc/77/91/50/522779150.db2.gz XGFDDHGWZVLTFP-ZETCQYMHSA-N 1 2 292.324 2.590 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000315438613 524793582 /nfs/dbraw/zinc/79/35/82/524793582.db2.gz YWOBZXPTQMJYOW-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@]12CCOC2 ZINC000421031381 534885716 /nfs/dbraw/zinc/88/57/16/534885716.db2.gz ZXKANBXHRITYRY-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@]12CCOC2 ZINC000421031381 534885719 /nfs/dbraw/zinc/88/57/19/534885719.db2.gz ZXKANBXHRITYRY-CYBMUJFWSA-N 1 2 282.727 2.613 20 5 CFBDLO Cc1[nH]c([C@H]2CCCN2c2ccc([N+](=O)[O-])cn2)[nH+]c1C ZINC000895193909 618459168 /nfs/dbraw/zinc/45/91/68/618459168.db2.gz WFXUYDDQPZWECC-GFCCVEGCSA-N 1 2 287.323 2.671 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1cccc(C)c1[N+](=O)[O-])C2 ZINC000896654532 619783831 /nfs/dbraw/zinc/78/38/31/619783831.db2.gz NNSAEVHGTKSBGQ-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO Cc1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000821135946 622853881 /nfs/dbraw/zinc/85/38/81/622853881.db2.gz XTNVMRVKMKNFRJ-UHFFFAOYSA-N 1 2 299.330 2.898 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172588946 623289868 /nfs/dbraw/zinc/28/98/68/623289868.db2.gz FQDGHUWWXAGBHM-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172588946 623289874 /nfs/dbraw/zinc/28/98/74/623289874.db2.gz FQDGHUWWXAGBHM-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922583536 626317797 /nfs/dbraw/zinc/31/77/97/626317797.db2.gz UVBAJHWLRUKVRE-CQSZACIVSA-N 1 2 284.319 2.626 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOCC3)cc1Cl ZINC000839140859 626528568 /nfs/dbraw/zinc/52/85/68/626528568.db2.gz JOIDGEJQBSYUOJ-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccn(C)n1 ZINC000839193158 626530991 /nfs/dbraw/zinc/53/09/91/626530991.db2.gz ZCIXBAGQVSATQL-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](C/C=C\Cl)C2 ZINC000757168139 626546053 /nfs/dbraw/zinc/54/60/53/626546053.db2.gz WDNRBDSJUBLNBT-KXFIGUGUSA-N 1 2 252.701 2.705 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](C/C=C\Cl)C2 ZINC000757168139 626546054 /nfs/dbraw/zinc/54/60/54/626546054.db2.gz WDNRBDSJUBLNBT-KXFIGUGUSA-N 1 2 252.701 2.705 20 5 CFBDLO CN(C)c1cc(CSc2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000762476639 626918021 /nfs/dbraw/zinc/91/80/21/626918021.db2.gz GFVIETACEIKRTC-UHFFFAOYSA-N 1 2 290.348 2.743 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OCc1cc[nH+]c(N(C)C)c1 ZINC000762472894 626918047 /nfs/dbraw/zinc/91/80/47/626918047.db2.gz BVJTWLXXNJLHLC-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2[nH+]ccn21 ZINC000770059569 627499007 /nfs/dbraw/zinc/49/90/07/627499007.db2.gz ZFLVRWWLBGYSQA-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569312 628721469 /nfs/dbraw/zinc/72/14/69/628721469.db2.gz DNWQKCJHRIJBJP-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569312 628721471 /nfs/dbraw/zinc/72/14/71/628721471.db2.gz DNWQKCJHRIJBJP-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000793568165 629573595 /nfs/dbraw/zinc/57/35/95/629573595.db2.gz HYKPWDZRWZSOQZ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000793568165 629573600 /nfs/dbraw/zinc/57/36/00/629573600.db2.gz HYKPWDZRWZSOQZ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801986637 630497551 /nfs/dbraw/zinc/49/75/51/630497551.db2.gz DCKHXWITZZKTIP-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000801986637 630497552 /nfs/dbraw/zinc/49/75/52/630497552.db2.gz DCKHXWITZZKTIP-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO CN(Cc1ccc(N)[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804616813 630764934 /nfs/dbraw/zinc/76/49/34/630764934.db2.gz CITUHXMIPFCYHO-UHFFFAOYSA-N 1 2 292.726 2.862 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865927484 638660518 /nfs/dbraw/zinc/66/05/18/638660518.db2.gz CIBLJVCLZDNNJG-SECBINFHSA-N 1 2 273.333 2.502 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865927484 638660527 /nfs/dbraw/zinc/66/05/27/638660527.db2.gz CIBLJVCLZDNNJG-SECBINFHSA-N 1 2 273.333 2.502 20 5 CFBDLO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)no1 ZINC000873022802 641987031 /nfs/dbraw/zinc/98/70/31/641987031.db2.gz QSAJQZKJYSQDBR-UHFFFAOYSA-N 1 2 275.308 2.798 20 5 CFBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])on1 ZINC000885959205 646784368 /nfs/dbraw/zinc/78/43/68/646784368.db2.gz VIIYOAHWWCHEOW-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])on1 ZINC000885959205 646784371 /nfs/dbraw/zinc/78/43/71/646784371.db2.gz VIIYOAHWWCHEOW-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO CC[C@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000925230769 648137736 /nfs/dbraw/zinc/13/77/36/648137736.db2.gz PEJNUIYVWIZGOH-GWCFXTLKSA-N 1 2 289.339 2.525 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452371 649430367 /nfs/dbraw/zinc/43/03/67/649430367.db2.gz JHOWYLQQKBYERK-MNOVXSKESA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931452371 649430369 /nfs/dbraw/zinc/43/03/69/649430369.db2.gz JHOWYLQQKBYERK-MNOVXSKESA-N 1 2 286.335 2.998 20 5 CFBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592785 649459567 /nfs/dbraw/zinc/45/95/67/649459567.db2.gz QRLIKOKMMLIXPL-NSHDSACASA-N 1 2 299.396 2.855 20 5 CFBDLO Cc1noc(C[N@H+]2CCSC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000931592785 649459571 /nfs/dbraw/zinc/45/95/71/649459571.db2.gz QRLIKOKMMLIXPL-NSHDSACASA-N 1 2 299.396 2.855 20 5 CFBDLO CC(C)(C)C(=[NH2+])Nc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155176296 782244706 /nfs/dbraw/zinc/24/47/06/782244706.db2.gz YLYRQAMZAYLFLU-UHFFFAOYSA-N 1 2 273.296 2.973 20 5 CFBDLO C[NH+]1CC(OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001224201439 775126960 /nfs/dbraw/zinc/12/69/60/775126960.db2.gz BJMRPONZPAJKJQ-UHFFFAOYSA-N 1 2 272.304 2.579 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000690778396 775339546 /nfs/dbraw/zinc/33/95/46/775339546.db2.gz MMUWLSCGGIWUIL-YGRLFVJLSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000690778396 775339555 /nfs/dbraw/zinc/33/95/55/775339555.db2.gz MMUWLSCGGIWUIL-YGRLFVJLSA-N 1 2 296.754 2.859 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225904558 775629649 /nfs/dbraw/zinc/62/96/49/775629649.db2.gz GHQHQQXFHSGQAD-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CC[N@@H+](Cc1ccccc1C)Cn1cc([N+](=O)[O-])cn1 ZINC000123716022 776098478 /nfs/dbraw/zinc/09/84/78/776098478.db2.gz GLDDIMCJGNHVNB-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC[N@H+](Cc1ccccc1C)Cn1cc([N+](=O)[O-])cn1 ZINC000123716022 776098485 /nfs/dbraw/zinc/09/84/85/776098485.db2.gz GLDDIMCJGNHVNB-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(C)c1OC1C[NH+](C(C)C)C1 ZINC001228570574 776524504 /nfs/dbraw/zinc/52/45/04/776524504.db2.gz FNMVEJJLXYDUDZ-UHFFFAOYSA-N 1 2 264.325 2.683 20 5 CFBDLO CC(C)[NH+]1CC(Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378550 776795100 /nfs/dbraw/zinc/79/51/00/776795100.db2.gz YBYMZCJQNVYIAH-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1Br ZINC000706998477 781222060 /nfs/dbraw/zinc/22/20/60/781222060.db2.gz FPPLCEOEYFMLRP-KCJUWKMLSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1Br ZINC000706998477 781222063 /nfs/dbraw/zinc/22/20/63/781222063.db2.gz FPPLCEOEYFMLRP-KCJUWKMLSA-N 1 2 297.152 2.952 20 5 CFBDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595064128 349572106 /nfs/dbraw/zinc/57/21/06/349572106.db2.gz CXKSTVRIZZFGQS-KWBADKCTSA-N 1 2 287.323 2.543 20 5 CFBDLO Cc1noc(C[NH2+]C2(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000595373094 349611431 /nfs/dbraw/zinc/61/14/31/349611431.db2.gz LXBSHZPOQQQMHR-UHFFFAOYSA-N 1 2 291.282 2.809 20 5 CFBDLO Cc1noc(C[NH2+]C(C)(C)c2cccs2)c1[N+](=O)[O-] ZINC000595430217 349624174 /nfs/dbraw/zinc/62/41/74/349624174.db2.gz RYVMSNUCHIVYIA-UHFFFAOYSA-N 1 2 281.337 2.978 20 5 CFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000595440960 349627101 /nfs/dbraw/zinc/62/71/01/349627101.db2.gz HSLWURRONRZRHB-UHFFFAOYSA-N 1 2 299.330 2.939 20 5 CFBDLO Cc1noc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000595440960 349627103 /nfs/dbraw/zinc/62/71/03/349627103.db2.gz HSLWURRONRZRHB-UHFFFAOYSA-N 1 2 299.330 2.939 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595439460 349626545 /nfs/dbraw/zinc/62/65/45/349626545.db2.gz ZHRZYWRELODPKL-SSDOTTSWSA-N 1 2 296.327 2.745 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468757 349636942 /nfs/dbraw/zinc/63/69/42/349636942.db2.gz LFUZMWPINNSNLT-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468757 349636945 /nfs/dbraw/zinc/63/69/45/349636945.db2.gz LFUZMWPINNSNLT-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000595557584 349658923 /nfs/dbraw/zinc/65/89/23/349658923.db2.gz KSPAGTGFDLOPQD-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000595557584 349658924 /nfs/dbraw/zinc/65/89/24/349658924.db2.gz KSPAGTGFDLOPQD-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000125996951 187209990 /nfs/dbraw/zinc/20/99/90/187209990.db2.gz MBKNAEILFPKIBT-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000125996951 187209991 /nfs/dbraw/zinc/20/99/91/187209991.db2.gz MBKNAEILFPKIBT-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2nccnc2C1 ZINC000595862495 349757097 /nfs/dbraw/zinc/75/70/97/349757097.db2.gz DOUQRIGJZUGEGX-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2nccnc2C1 ZINC000595862495 349757098 /nfs/dbraw/zinc/75/70/98/349757098.db2.gz DOUQRIGJZUGEGX-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])s1 ZINC000596237086 349835772 /nfs/dbraw/zinc/83/57/72/349835772.db2.gz BUDPPCSSTFPNNH-SSDOTTSWSA-N 1 2 252.299 2.861 20 5 CFBDLO C[NH2+]Cc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000414495988 530012527 /nfs/dbraw/zinc/01/25/27/530012527.db2.gz CLXMTBPFUSAIGH-MRVPVSSYSA-N 1 2 294.336 2.551 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3C[C@@H](O)C34CCC4)c2c1 ZINC000596502734 349922601 /nfs/dbraw/zinc/92/26/01/349922601.db2.gz FXNNYCYWUDOWOT-ZIAGYGMSSA-N 1 2 299.330 2.858 20 5 CFBDLO C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000596543171 349936471 /nfs/dbraw/zinc/93/64/71/349936471.db2.gz MJNAUUXBWYDSHX-SSDOTTSWSA-N 1 2 282.250 2.780 20 5 CFBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)[nH+]1 ZINC000176201766 232328202 /nfs/dbraw/zinc/32/82/02/232328202.db2.gz GLCVMVNHRKDMSC-UHFFFAOYSA-N 1 2 286.291 2.562 20 5 CFBDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346201 346265409 /nfs/dbraw/zinc/26/54/09/346265409.db2.gz CKIRVQRHFHXMLZ-UHFFFAOYSA-N 1 2 299.330 2.665 20 5 CFBDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346201 346265411 /nfs/dbraw/zinc/26/54/11/346265411.db2.gz CKIRVQRHFHXMLZ-UHFFFAOYSA-N 1 2 299.330 2.665 20 5 CFBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000042098513 346360047 /nfs/dbraw/zinc/36/00/47/346360047.db2.gz IHZJPOAPQWJTHO-UHFFFAOYSA-N 1 2 290.298 2.807 20 5 CFBDLO CNc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000042739682 346370291 /nfs/dbraw/zinc/37/02/91/346370291.db2.gz PPMVRXPWKRGWAO-UHFFFAOYSA-N 1 2 286.291 2.978 20 5 CFBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000046484111 346427968 /nfs/dbraw/zinc/42/79/68/346427968.db2.gz UDASGJRIBNCTSD-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)s1 ZINC000048999473 346477887 /nfs/dbraw/zinc/47/78/87/346477887.db2.gz XEAWRFUCLKQTGO-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3ncccc3[N+](=O)[O-])cn2c1 ZINC000054836039 346577653 /nfs/dbraw/zinc/57/76/53/346577653.db2.gz ZIWYILOTKKUETP-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1ccsc1[N+](=O)[O-] ZINC000063258471 346698658 /nfs/dbraw/zinc/69/86/58/346698658.db2.gz GCRARXQCZXDXDJ-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066372275 346756359 /nfs/dbraw/zinc/75/63/59/346756359.db2.gz IFLHXJRDDYMEIF-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO Cc1ccn2cc(CNc3ccncc3[N+](=O)[O-])[nH+]c2c1 ZINC000066810208 346780875 /nfs/dbraw/zinc/78/08/75/346780875.db2.gz LRAJXABPAQORME-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000091628212 347594119 /nfs/dbraw/zinc/59/41/19/347594119.db2.gz GVIMJBQVWXTFCQ-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092737157 347643459 /nfs/dbraw/zinc/64/34/59/347643459.db2.gz ZNGOZXWXLXSXPK-WDEREUQCSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092737157 347643461 /nfs/dbraw/zinc/64/34/61/347643461.db2.gz ZNGOZXWXLXSXPK-WDEREUQCSA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCc2ccccc2CC1 ZINC000093385284 347671811 /nfs/dbraw/zinc/67/18/11/347671811.db2.gz UGZBCHKSBKXTAN-UHFFFAOYSA-N 1 2 298.342 2.901 20 5 CFBDLO Cc1cnc(NCCc2cccc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000280496732 348341106 /nfs/dbraw/zinc/34/11/06/348341106.db2.gz OZCWJBLMMGJJOO-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COC[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413159507 233025876 /nfs/dbraw/zinc/02/58/76/233025876.db2.gz WXWFAGGILSWTKJ-NSHDSACASA-N 1 2 287.319 2.616 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000404049128 348589081 /nfs/dbraw/zinc/58/90/81/348589081.db2.gz IKXIZOLTUGLCHD-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000404049128 348589087 /nfs/dbraw/zinc/58/90/87/348589087.db2.gz IKXIZOLTUGLCHD-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000587520737 348762526 /nfs/dbraw/zinc/76/25/26/348762526.db2.gz GATSOHXCKZPHPD-UHFFFAOYSA-N 1 2 268.276 2.505 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000587866714 348762535 /nfs/dbraw/zinc/76/25/35/348762535.db2.gz PMRPFFOBBDOBJJ-LLVKDONJSA-N 1 2 290.298 2.772 20 5 CFBDLO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723723 348937073 /nfs/dbraw/zinc/93/70/73/348937073.db2.gz NPQBSXOCWHEZLB-JGVFFNPUSA-N 1 2 264.310 2.971 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593094256 349208028 /nfs/dbraw/zinc/20/80/28/349208028.db2.gz YTOVQFUSAFIHTF-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593094256 349208030 /nfs/dbraw/zinc/20/80/30/349208030.db2.gz YTOVQFUSAFIHTF-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593061733 349198595 /nfs/dbraw/zinc/19/85/95/349198595.db2.gz DHCLDVXYGCZNGW-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593061733 349198599 /nfs/dbraw/zinc/19/85/99/349198599.db2.gz DHCLDVXYGCZNGW-FZMZJTMJSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593062797 349199537 /nfs/dbraw/zinc/19/95/37/349199537.db2.gz JABUAQSEZBCQTK-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593062797 349199539 /nfs/dbraw/zinc/19/95/39/349199539.db2.gz JABUAQSEZBCQTK-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCCc2[nH]ncc2C1 ZINC000597258043 350074467 /nfs/dbraw/zinc/07/44/67/350074467.db2.gz KLZKUURPYGVTET-UTCJRWHESA-N 1 2 298.346 2.780 20 5 CFBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCCc2[nH]ncc2C1 ZINC000597258043 350074469 /nfs/dbraw/zinc/07/44/69/350074469.db2.gz KLZKUURPYGVTET-UTCJRWHESA-N 1 2 298.346 2.780 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnc[nH]1 ZINC000597171637 350043050 /nfs/dbraw/zinc/04/30/50/350043050.db2.gz YBEZSDBEZVMMIH-WUXMJOGZSA-N 1 2 286.335 2.853 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H]2CC[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599079444 350371736 /nfs/dbraw/zinc/37/17/36/350371736.db2.gz KUMZBRJQZVVXOK-JQWIXIFHSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000599102716 350376386 /nfs/dbraw/zinc/37/63/86/350376386.db2.gz SSDPORPAFKYSPR-ZDUSSCGKSA-N 1 2 298.346 2.996 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641611 350471213 /nfs/dbraw/zinc/47/12/13/350471213.db2.gz JFGKUSFVQQPTAU-NWDGAFQWSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCF)C1 ZINC000599641611 350471216 /nfs/dbraw/zinc/47/12/16/350471216.db2.gz JFGKUSFVQQPTAU-NWDGAFQWSA-N 1 2 282.315 2.716 20 5 CFBDLO COc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107292214 186167218 /nfs/dbraw/zinc/16/72/18/186167218.db2.gz MBCRTJFMGMKVON-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600203939 350538465 /nfs/dbraw/zinc/53/84/65/350538465.db2.gz GNGYRGZXWFNILV-PKXJPQMGSA-N 1 2 294.326 2.668 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](CCF)C1 ZINC000600203939 350538468 /nfs/dbraw/zinc/53/84/68/350538468.db2.gz GNGYRGZXWFNILV-PKXJPQMGSA-N 1 2 294.326 2.668 20 5 CFBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC000601197792 350694279 /nfs/dbraw/zinc/69/42/79/350694279.db2.gz GEYHCNKFFFEKJN-UHFFFAOYSA-N 1 2 278.287 2.778 20 5 CFBDLO O=[N+]([O-])c1c(NCC[C@H](O)C(F)F)ccc2c[nH+]ccc21 ZINC000601222749 350701606 /nfs/dbraw/zinc/70/16/06/350701606.db2.gz OYMCSEFDUPRFFX-NSHDSACASA-N 1 2 297.261 2.571 20 5 CFBDLO O=[N+]([O-])c1c(NCC2CSC2)ccc2c[nH+]ccc21 ZINC000603414860 351160248 /nfs/dbraw/zinc/16/02/48/351160248.db2.gz WTDKUIJPJXGYGN-UHFFFAOYSA-N 1 2 275.333 2.918 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000608982588 351482667 /nfs/dbraw/zinc/48/26/67/351482667.db2.gz UWJORFAXLOBPPZ-UHFFFAOYSA-N 1 2 282.303 2.761 20 5 CFBDLO C[N@H+](Cc1ccsc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611252988 351658042 /nfs/dbraw/zinc/65/80/42/351658042.db2.gz HAKYTEYZQLWFPD-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO C[N@@H+](Cc1ccsc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611252988 351658048 /nfs/dbraw/zinc/65/80/48/351658048.db2.gz HAKYTEYZQLWFPD-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO CCc1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000611404327 351684258 /nfs/dbraw/zinc/68/42/58/351684258.db2.gz VDBBNOWDJGMEEU-JTQLQIEISA-N 1 2 290.323 2.699 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611502854 351700409 /nfs/dbraw/zinc/70/04/09/351700409.db2.gz ZKINTSXGAVCZAI-GXFFZTMASA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000611502854 351700411 /nfs/dbraw/zinc/70/04/11/351700411.db2.gz ZKINTSXGAVCZAI-GXFFZTMASA-N 1 2 252.289 2.775 20 5 CFBDLO Cc1nnsc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000291737281 198075429 /nfs/dbraw/zinc/07/54/29/198075429.db2.gz OMWFYGPFALALRU-UHFFFAOYSA-N 1 2 298.755 2.698 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCCC3)C2)cs1 ZINC000158041264 188354831 /nfs/dbraw/zinc/35/48/31/188354831.db2.gz FAILVQMLYMKLQE-UHFFFAOYSA-N 1 2 282.365 2.801 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCCC3)C2)cs1 ZINC000158041264 188354832 /nfs/dbraw/zinc/35/48/32/188354832.db2.gz FAILVQMLYMKLQE-UHFFFAOYSA-N 1 2 282.365 2.801 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000295199707 199401078 /nfs/dbraw/zinc/40/10/78/199401078.db2.gz YLNDBAVJMVWTQZ-LBPRGKRZSA-N 1 2 292.726 2.679 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000271862099 191375151 /nfs/dbraw/zinc/37/51/51/191375151.db2.gz ZRTDJXOPJAAXLW-QWRGUYRKSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000273617862 192232754 /nfs/dbraw/zinc/23/27/54/192232754.db2.gz PWVZTDCAQBNSAT-QMMMGPOBSA-N 1 2 278.337 2.606 20 5 CFBDLO O=[N+]([O-])c1c(NCCCn2cc[nH+]c2)ccc2ncccc21 ZINC000301095845 200913997 /nfs/dbraw/zinc/91/39/97/200913997.db2.gz NNKZEPPCSJBECO-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cn2)ccc1[NH+](C)C ZINC000302153203 201368610 /nfs/dbraw/zinc/36/86/10/201368610.db2.gz LIGYWKHPEVPQID-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597811 241153101 /nfs/dbraw/zinc/15/31/01/241153101.db2.gz PXTOTQAQIVDHPQ-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444597811 241153105 /nfs/dbraw/zinc/15/31/05/241153105.db2.gz PXTOTQAQIVDHPQ-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO CCCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000449614774 242067446 /nfs/dbraw/zinc/06/74/46/242067446.db2.gz WPGRSFCFEGTCPZ-UHFFFAOYSA-N 1 2 293.298 2.964 20 5 CFBDLO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000330732042 203165378 /nfs/dbraw/zinc/16/53/78/203165378.db2.gz JFZFOEJXNFTGCI-CQSZACIVSA-N 1 2 282.315 2.591 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000330732042 203165380 /nfs/dbraw/zinc/16/53/80/203165380.db2.gz JFZFOEJXNFTGCI-CQSZACIVSA-N 1 2 282.315 2.591 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341872772 296151628 /nfs/dbraw/zinc/15/16/28/296151628.db2.gz FMLDXPZTRFSUMF-WDEREUQCSA-N 1 2 274.324 2.740 20 5 CFBDLO COCCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459634409 245253903 /nfs/dbraw/zinc/25/39/03/245253903.db2.gz MWOPBFHMFILTNP-UHFFFAOYSA-N 1 2 282.315 2.592 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)o1 ZINC000053038063 373460852 /nfs/dbraw/zinc/46/08/52/373460852.db2.gz AXROAAIEOTYVPR-UHFFFAOYSA-N 1 2 276.292 2.795 20 5 CFBDLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000070445348 374177592 /nfs/dbraw/zinc/17/75/92/374177592.db2.gz YBVOTOSFWKMJCG-JTQLQIEISA-N 1 2 260.297 2.810 20 5 CFBDLO CCOc1cc(C[N@@H+]2CC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000492748619 246374817 /nfs/dbraw/zinc/37/48/17/246374817.db2.gz NCPIOMYIQMSHHQ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1cc(C[N@H+]2CC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000492748619 246374823 /nfs/dbraw/zinc/37/48/23/246374823.db2.gz NCPIOMYIQMSHHQ-AWEZNQCLSA-N 1 2 282.315 2.927 20 5 CFBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000103555376 375755803 /nfs/dbraw/zinc/75/58/03/375755803.db2.gz KBAGHSNFDXQSRX-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000103555376 375755809 /nfs/dbraw/zinc/75/58/09/375755809.db2.gz KBAGHSNFDXQSRX-LLVKDONJSA-N 1 2 282.315 2.735 20 5 CFBDLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000114748844 376086708 /nfs/dbraw/zinc/08/67/08/376086708.db2.gz IUPSSZJNUHWCGV-UWVGGRQHSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)n1 ZINC000120807275 376697283 /nfs/dbraw/zinc/69/72/83/376697283.db2.gz IOIAAVKSYGZMGO-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000135647632 378153406 /nfs/dbraw/zinc/15/34/06/378153406.db2.gz OURKEAIXLCTPDO-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000135647632 378153410 /nfs/dbraw/zinc/15/34/10/378153410.db2.gz OURKEAIXLCTPDO-CQSZACIVSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1[nH]cc[nH+]1 ZINC000140682858 378240157 /nfs/dbraw/zinc/24/01/57/378240157.db2.gz ZTJYPZHGYXCLET-NSHDSACASA-N 1 2 288.307 2.507 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330445691 378557452 /nfs/dbraw/zinc/55/74/52/378557452.db2.gz HEZSIEQIVYNGAS-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330445691 378557458 /nfs/dbraw/zinc/55/74/58/378557458.db2.gz HEZSIEQIVYNGAS-AWEZNQCLSA-N 1 2 294.351 2.547 20 5 CFBDLO C[N@H+](CCC1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448856 378558695 /nfs/dbraw/zinc/55/86/95/378558695.db2.gz HGSIDDPDISBQQE-UHFFFAOYSA-N 1 2 294.351 2.549 20 5 CFBDLO C[N@@H+](CCC1CCOCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448856 378558700 /nfs/dbraw/zinc/55/87/00/378558700.db2.gz HGSIDDPDISBQQE-UHFFFAOYSA-N 1 2 294.351 2.549 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330516782 378575617 /nfs/dbraw/zinc/57/56/17/378575617.db2.gz MLOCDMJEJVETBX-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000330516782 378575623 /nfs/dbraw/zinc/57/56/23/378575623.db2.gz MLOCDMJEJVETBX-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000331046272 378620626 /nfs/dbraw/zinc/62/06/26/378620626.db2.gz GNUUQIWEQBSOOO-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000331046272 378620635 /nfs/dbraw/zinc/62/06/35/378620635.db2.gz GNUUQIWEQBSOOO-LLVKDONJSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cnc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000172807591 379651700 /nfs/dbraw/zinc/65/17/00/379651700.db2.gz ZUEZONDIXJYMJI-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1F ZINC000341276109 380892459 /nfs/dbraw/zinc/89/24/59/380892459.db2.gz HRJVJYGUYBYRLT-ZDUSSCGKSA-N 1 2 286.278 2.676 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@](C)(F)C2)c([N+](=O)[O-])cc1F ZINC000341276109 380892469 /nfs/dbraw/zinc/89/24/69/380892469.db2.gz HRJVJYGUYBYRLT-ZDUSSCGKSA-N 1 2 286.278 2.676 20 5 CFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1[N+](=O)[O-] ZINC000182061958 380977648 /nfs/dbraw/zinc/97/76/48/380977648.db2.gz DKZVHLCTKVFVSF-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO CCCCCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358777967 381076594 /nfs/dbraw/zinc/07/65/94/381076594.db2.gz YVJUJSXLNHWQAZ-UHFFFAOYSA-N 1 2 278.352 2.986 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C/c2cccc3[nH+]ccn32)nc1 ZINC000354256621 381167232 /nfs/dbraw/zinc/16/72/32/381167232.db2.gz VSSDBVGSYKOASL-GQCTYLIASA-N 1 2 266.260 2.808 20 5 CFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296208744 381302946 /nfs/dbraw/zinc/30/29/46/381302946.db2.gz FXNNHGKWAUKNLP-ZDUSSCGKSA-N 1 2 286.335 2.916 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000371825854 381708402 /nfs/dbraw/zinc/70/84/02/381708402.db2.gz ZXVUQGWOWYDURX-LLVKDONJSA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000371825854 381708409 /nfs/dbraw/zinc/70/84/09/381708409.db2.gz ZXVUQGWOWYDURX-LLVKDONJSA-N 1 2 290.323 2.567 20 5 CFBDLO Cc1c(C[NH2+][C@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349234521 381855410 /nfs/dbraw/zinc/85/54/10/381855410.db2.gz DXDHCGOPHPEWFX-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3cccc(F)c32)cc1 ZINC000373284257 381969523 /nfs/dbraw/zinc/96/95/23/381969523.db2.gz KQTJHZFOGNUZSA-CYBMUJFWSA-N 1 2 288.278 2.957 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccsc2)cs1 ZINC000349611312 381971825 /nfs/dbraw/zinc/97/18/25/381971825.db2.gz NMRAMSSVXNLUHS-SNVBAGLBSA-N 1 2 284.362 2.541 20 5 CFBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299593436 381995413 /nfs/dbraw/zinc/99/54/13/381995413.db2.gz FFCFHYHUYCIXGJ-SECBINFHSA-N 1 2 297.742 2.529 20 5 CFBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000299593436 381995422 /nfs/dbraw/zinc/99/54/22/381995422.db2.gz FFCFHYHUYCIXGJ-SECBINFHSA-N 1 2 297.742 2.529 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000293384592 382102753 /nfs/dbraw/zinc/10/27/53/382102753.db2.gz KCOSIGXRYDOQQI-YUMQZZPRSA-N 1 2 256.252 2.713 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1C ZINC000293384592 382102754 /nfs/dbraw/zinc/10/27/54/382102754.db2.gz KCOSIGXRYDOQQI-YUMQZZPRSA-N 1 2 256.252 2.713 20 5 CFBDLO Cc1nocc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293671963 382226412 /nfs/dbraw/zinc/22/64/12/382226412.db2.gz UWOKCWJWCJTONC-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO CC[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000357695935 382283253 /nfs/dbraw/zinc/28/32/53/382283253.db2.gz JPKGYCHDVKYZLS-LLVKDONJSA-N 1 2 297.318 2.851 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000352405625 382311753 /nfs/dbraw/zinc/31/17/53/382311753.db2.gz NNVXVIDDJPVLQG-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](C)O1 ZINC000352405625 382311761 /nfs/dbraw/zinc/31/17/61/382311761.db2.gz NNVXVIDDJPVLQG-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377658457 382312624 /nfs/dbraw/zinc/31/26/24/382312624.db2.gz KABKEJURYILFCP-TXEJJXNPSA-N 1 2 294.738 2.944 20 5 CFBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000377658457 382312629 /nfs/dbraw/zinc/31/26/29/382312629.db2.gz KABKEJURYILFCP-TXEJJXNPSA-N 1 2 294.738 2.944 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000364532729 382324673 /nfs/dbraw/zinc/32/46/73/382324673.db2.gz WODDLHUWVSRNKG-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000364532729 382324680 /nfs/dbraw/zinc/32/46/80/382324680.db2.gz WODDLHUWVSRNKG-HNNXBMFYSA-N 1 2 276.336 2.514 20 5 CFBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000294202539 382458328 /nfs/dbraw/zinc/45/83/28/382458328.db2.gz SZUUVBXFLHJNTD-PWSUYJOCSA-N 1 2 272.308 2.587 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295313760 382614907 /nfs/dbraw/zinc/61/49/07/382614907.db2.gz GHHHSDMEPVKAEL-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000295313760 382614910 /nfs/dbraw/zinc/61/49/10/382614910.db2.gz GHHHSDMEPVKAEL-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C)[nH+]1 ZINC000421564438 382581753 /nfs/dbraw/zinc/58/17/53/382581753.db2.gz ZIPVIYHOWYTOSB-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000579258742 382999217 /nfs/dbraw/zinc/99/92/17/382999217.db2.gz YBVRIRLFFGCDOF-LLVKDONJSA-N 1 2 290.348 2.532 20 5 CFBDLO C[N@H+](Cc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896153 383078428 /nfs/dbraw/zinc/07/84/28/383078428.db2.gz VWTYABUIAZIYCY-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO C[N@@H+](Cc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896153 383078431 /nfs/dbraw/zinc/07/84/31/383078431.db2.gz VWTYABUIAZIYCY-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO CC[N@@H+](CCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339092808 383146133 /nfs/dbraw/zinc/14/61/33/383146133.db2.gz CTHPBTOFBDJHTQ-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000340277027 383400246 /nfs/dbraw/zinc/40/02/46/383400246.db2.gz FZCLPVCUFCHGMU-UHFFFAOYSA-N 1 2 298.342 2.900 20 5 CFBDLO CC1(C)CC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000569883736 383547139 /nfs/dbraw/zinc/54/71/39/383547139.db2.gz ZWVWQWSRVWDKEV-LBPRGKRZSA-N 1 2 250.298 2.579 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000450827382 383507675 /nfs/dbraw/zinc/50/76/75/383507675.db2.gz HQBRVNUXAFISPD-GMSGAONNSA-N 1 2 293.714 2.958 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000570100671 383572377 /nfs/dbraw/zinc/57/23/77/383572377.db2.gz STQMPEZXNUKWLV-GFCCVEGCSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000570100671 383572379 /nfs/dbraw/zinc/57/23/79/383572379.db2.gz STQMPEZXNUKWLV-GFCCVEGCSA-N 1 2 252.289 2.837 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000570974173 383652159 /nfs/dbraw/zinc/65/21/59/383652159.db2.gz NPLOKVASXWCRRH-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000570974173 383652162 /nfs/dbraw/zinc/65/21/62/383652162.db2.gz NPLOKVASXWCRRH-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO Cc1c(C[N@@H+]2CCC(=O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000572131790 383757756 /nfs/dbraw/zinc/75/77/56/383757756.db2.gz NXTJNQHRVLKVHC-UHFFFAOYSA-N 1 2 288.347 2.991 20 5 CFBDLO Cc1c(C[N@H+]2CCC(=O)CC23CCC3)cccc1[N+](=O)[O-] ZINC000572131790 383757761 /nfs/dbraw/zinc/75/77/61/383757761.db2.gz NXTJNQHRVLKVHC-UHFFFAOYSA-N 1 2 288.347 2.991 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000438354543 383990699 /nfs/dbraw/zinc/99/06/99/383990699.db2.gz GJVAFKOTOAOXIE-UTUOFQBUSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000438354543 383990702 /nfs/dbraw/zinc/99/07/02/383990702.db2.gz GJVAFKOTOAOXIE-UTUOFQBUSA-N 1 2 264.325 2.593 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(Cl)c1 ZINC000459746074 285114256 /nfs/dbraw/zinc/11/42/56/285114256.db2.gz FVDRIYNFLNUCNJ-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(Cl)c1 ZINC000459746074 285114258 /nfs/dbraw/zinc/11/42/58/285114258.db2.gz FVDRIYNFLNUCNJ-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO CC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278138155 384481847 /nfs/dbraw/zinc/48/18/47/384481847.db2.gz ALHJQFISIKVJCE-UHFFFAOYSA-N 1 2 277.280 2.655 20 5 CFBDLO CC1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278138155 384481851 /nfs/dbraw/zinc/48/18/51/384481851.db2.gz ALHJQFISIKVJCE-UHFFFAOYSA-N 1 2 277.280 2.655 20 5 CFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000268261965 384584125 /nfs/dbraw/zinc/58/41/25/384584125.db2.gz MRIJOPGNLFOMJL-DOMZBBRYSA-N 1 2 286.335 2.879 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208568 384565658 /nfs/dbraw/zinc/56/56/58/384565658.db2.gz SWCAZDIWCZBXLJ-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000268208568 384565664 /nfs/dbraw/zinc/56/56/64/384565664.db2.gz SWCAZDIWCZBXLJ-DGCLKSJQSA-N 1 2 264.325 2.594 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2sccc2C1 ZINC000338931973 285137169 /nfs/dbraw/zinc/13/71/69/285137169.db2.gz VSVLHOXWOSYKNT-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2sccc2C1 ZINC000338931973 285137176 /nfs/dbraw/zinc/13/71/76/285137176.db2.gz VSVLHOXWOSYKNT-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCC2)C1 ZINC000270868760 385252507 /nfs/dbraw/zinc/25/25/07/385252507.db2.gz LKTAWYDPEQLBPK-GFCCVEGCSA-N 1 2 276.336 2.911 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC2(CCC2)C1 ZINC000270868760 385252515 /nfs/dbraw/zinc/25/25/15/385252515.db2.gz LKTAWYDPEQLBPK-GFCCVEGCSA-N 1 2 276.336 2.911 20 5 CFBDLO COCc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000271053661 385321622 /nfs/dbraw/zinc/32/16/22/385321622.db2.gz BPSVKESTGKPOKY-UHFFFAOYSA-N 1 2 290.319 2.966 20 5 CFBDLO COCc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000271053661 385321628 /nfs/dbraw/zinc/32/16/28/385321628.db2.gz BPSVKESTGKPOKY-UHFFFAOYSA-N 1 2 290.319 2.966 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cscn1 ZINC000271131219 385345865 /nfs/dbraw/zinc/34/58/65/385345865.db2.gz LYOWEGVKZZRAIG-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO COc1ccc(OCC[N@@H+]2CCC=C(F)C2)c([N+](=O)[O-])c1 ZINC000272500489 385554088 /nfs/dbraw/zinc/55/40/88/385554088.db2.gz NTTKKISGRZAPRE-UHFFFAOYSA-N 1 2 296.298 2.541 20 5 CFBDLO COc1ccc(OCC[N@H+]2CCC=C(F)C2)c([N+](=O)[O-])c1 ZINC000272500489 385554093 /nfs/dbraw/zinc/55/40/93/385554093.db2.gz NTTKKISGRZAPRE-UHFFFAOYSA-N 1 2 296.298 2.541 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411867691 393757686 /nfs/dbraw/zinc/75/76/86/393757686.db2.gz XKNUQHBJAGZMBV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000411867691 393757689 /nfs/dbraw/zinc/75/76/89/393757689.db2.gz XKNUQHBJAGZMBV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000121672751 393958741 /nfs/dbraw/zinc/95/87/41/393958741.db2.gz LJKYCCJORIGSOL-UHFFFAOYSA-N 1 2 286.291 2.620 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000430195643 393966331 /nfs/dbraw/zinc/96/63/31/393966331.db2.gz OUTGKIXJIPVJOG-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000430195643 393966333 /nfs/dbraw/zinc/96/63/33/393966333.db2.gz OUTGKIXJIPVJOG-QJPTWQEYSA-N 1 2 294.351 2.601 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209527 393968716 /nfs/dbraw/zinc/96/87/16/393968716.db2.gz RJRDZKWGXNFHJQ-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209527 393968721 /nfs/dbraw/zinc/96/87/21/393968721.db2.gz RJRDZKWGXNFHJQ-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270278505 394011863 /nfs/dbraw/zinc/01/18/63/394011863.db2.gz IQMHMPPWTXNQRO-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000270278505 394011865 /nfs/dbraw/zinc/01/18/65/394011865.db2.gz IQMHMPPWTXNQRO-UHFFFAOYSA-N 1 2 299.334 2.819 20 5 CFBDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000131314216 394130641 /nfs/dbraw/zinc/13/06/41/394130641.db2.gz UZFWNTPMTODMJX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000131314216 394130644 /nfs/dbraw/zinc/13/06/44/394130644.db2.gz UZFWNTPMTODMJX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO CC[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000420949350 394135526 /nfs/dbraw/zinc/13/55/26/394135526.db2.gz FLHVKNPKOMIYHE-ZIAGYGMSSA-N 1 2 294.351 2.690 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421031382 394165074 /nfs/dbraw/zinc/16/50/74/394165074.db2.gz ZXKANBXHRITYRY-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@]12CCOC2 ZINC000421031382 394165075 /nfs/dbraw/zinc/16/50/75/394165075.db2.gz ZXKANBXHRITYRY-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO Cc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000540953422 394659518 /nfs/dbraw/zinc/65/95/18/394659518.db2.gz PWLMNQIAIBAUQL-SECBINFHSA-N 1 2 292.364 2.914 20 5 CFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC000343238113 154151741 /nfs/dbraw/zinc/15/17/41/154151741.db2.gz MHQBYVCGEHRBCU-UHFFFAOYSA-N 1 2 257.293 2.669 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000364030678 156217755 /nfs/dbraw/zinc/21/77/55/156217755.db2.gz DXNMMMPIDLFUTA-JTQLQIEISA-N 1 2 293.714 2.708 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375004660 157181293 /nfs/dbraw/zinc/18/12/93/157181293.db2.gz OCBXECJNOMDVPD-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000375004660 157181296 /nfs/dbraw/zinc/18/12/96/157181296.db2.gz OCBXECJNOMDVPD-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000375004660 157181299 /nfs/dbraw/zinc/18/12/99/157181299.db2.gz OCBXECJNOMDVPD-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000375354125 157233282 /nfs/dbraw/zinc/23/32/82/157233282.db2.gz RUXOLNVHRNMKEA-CYBMUJFWSA-N 1 2 286.335 2.963 20 5 CFBDLO CC(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000344680460 162097110 /nfs/dbraw/zinc/09/71/10/162097110.db2.gz NNPPTEQAPQPCDA-UHFFFAOYSA-N 1 2 292.364 2.860 20 5 CFBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000345350626 162234017 /nfs/dbraw/zinc/23/40/17/162234017.db2.gz IGIJJWQMJVTUQM-CABZTGNLSA-N 1 2 258.281 2.909 20 5 CFBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350358384 163074622 /nfs/dbraw/zinc/07/46/22/163074622.db2.gz QHZODCZVVCUIKZ-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350358384 163074624 /nfs/dbraw/zinc/07/46/24/163074624.db2.gz QHZODCZVVCUIKZ-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350392075 163076494 /nfs/dbraw/zinc/07/64/94/163076494.db2.gz NBZPYHHLUSHGOA-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350392075 163076497 /nfs/dbraw/zinc/07/64/97/163076497.db2.gz NBZPYHHLUSHGOA-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc[nH+]1 ZINC000010163149 170399872 /nfs/dbraw/zinc/39/98/72/170399872.db2.gz UFFBBLKIKSTYEX-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330454903 278236225 /nfs/dbraw/zinc/23/62/25/278236225.db2.gz NMWPCLUPXMSCMU-ZDUSSCGKSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)cc[nH+]1 ZINC000078892613 280531525 /nfs/dbraw/zinc/53/15/25/280531525.db2.gz ZEJCXKZGNJGZEL-UHFFFAOYSA-N 1 2 263.278 2.612 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255168656 281090714 /nfs/dbraw/zinc/09/07/14/281090714.db2.gz KSEAKUKSCNFNKI-DAXSKMNVSA-N 1 2 283.287 2.950 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000296231133 281142223 /nfs/dbraw/zinc/14/22/23/281142223.db2.gz CBDZUDGIIDSFMS-SNVBAGLBSA-N 1 2 289.339 2.687 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CO)o2)c(Cl)c1 ZINC000545928109 281698190 /nfs/dbraw/zinc/69/81/90/281698190.db2.gz HMPVVVGRCYQLHX-UHFFFAOYSA-N 1 2 296.710 2.623 20 5 CFBDLO Nc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000411402649 295026732 /nfs/dbraw/zinc/02/67/32/295026732.db2.gz UDTLXAAVKGKNHS-UHFFFAOYSA-N 1 2 298.346 2.567 20 5 CFBDLO Nc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000411402649 295026736 /nfs/dbraw/zinc/02/67/36/295026736.db2.gz UDTLXAAVKGKNHS-UHFFFAOYSA-N 1 2 298.346 2.567 20 5 CFBDLO COc1ccc[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000169028752 322389873 /nfs/dbraw/zinc/38/98/73/322389873.db2.gz LBLFGLILULUHKJ-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO C[C@H]([NH2+]Cc1nc(C(F)F)no1)c1ccc([N+](=O)[O-])cc1 ZINC000425471365 533942385 /nfs/dbraw/zinc/94/23/85/533942385.db2.gz HHJIONTXIQGMMO-ZETCQYMHSA-N 1 2 298.249 2.766 20 5 CFBDLO COc1ncccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193296161 525046502 /nfs/dbraw/zinc/04/65/02/525046502.db2.gz XDQKCAGCUUDQPM-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ncccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193296161 525046512 /nfs/dbraw/zinc/04/65/12/525046512.db2.gz XDQKCAGCUUDQPM-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1cn2c([nH+]1)CN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000363701158 525933154 /nfs/dbraw/zinc/93/31/54/525933154.db2.gz OIVPCKMGKVQEBX-GFCCVEGCSA-N 1 2 286.335 2.677 20 5 CFBDLO Cc1noc(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605234 526505332 /nfs/dbraw/zinc/50/53/32/526505332.db2.gz SVQSQPDTPFQQCU-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605234 526505336 /nfs/dbraw/zinc/50/53/36/526505336.db2.gz SVQSQPDTPFQQCU-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](CF)C1 ZINC000414466417 527528248 /nfs/dbraw/zinc/52/82/48/527528248.db2.gz BOVRNPPVINCNSV-CUXKMMBLSA-N 1 2 294.326 2.668 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](CF)C1 ZINC000414466417 527528251 /nfs/dbraw/zinc/52/82/51/527528251.db2.gz BOVRNPPVINCNSV-CUXKMMBLSA-N 1 2 294.326 2.668 20 5 CFBDLO CCn1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000414210600 529172433 /nfs/dbraw/zinc/17/24/33/529172433.db2.gz OVEAQHHCQHKJAZ-NSHDSACASA-N 1 2 274.324 2.662 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933216756 618170947 /nfs/dbraw/zinc/17/09/47/618170947.db2.gz ZFZYKOADSLEPNU-AWEZNQCLSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933216756 618170950 /nfs/dbraw/zinc/17/09/50/618170950.db2.gz ZFZYKOADSLEPNU-AWEZNQCLSA-N 1 2 276.336 2.596 20 5 CFBDLO Cc1ncoc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000894331603 619336363 /nfs/dbraw/zinc/33/63/63/619336363.db2.gz HPFKJIOOYXRGAI-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO Cc1cc(N)nc(SCc2ccc([N+](=O)[O-])c(F)c2)[nH+]1 ZINC000148601292 620237596 /nfs/dbraw/zinc/23/75/96/620237596.db2.gz QWZXBXCUSKHMON-UHFFFAOYSA-N 1 2 294.311 2.707 20 5 CFBDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCF ZINC000827054135 623933316 /nfs/dbraw/zinc/93/33/16/623933316.db2.gz MMPWZKYBCUSDAB-XQRVVYSFSA-N 1 2 282.315 2.526 20 5 CFBDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCF ZINC000827054135 623933318 /nfs/dbraw/zinc/93/33/18/623933318.db2.gz MMPWZKYBCUSDAB-XQRVVYSFSA-N 1 2 282.315 2.526 20 5 CFBDLO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000834899846 625915892 /nfs/dbraw/zinc/91/58/92/625915892.db2.gz MHRQLIYHRSBWLH-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccn(C)n1 ZINC000839193159 626530922 /nfs/dbraw/zinc/53/09/22/626530922.db2.gz ZCIXBAGQVSATQL-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775568603 628038718 /nfs/dbraw/zinc/03/87/18/628038718.db2.gz HAZNUDJZPWRRQW-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775568603 628038722 /nfs/dbraw/zinc/03/87/22/628038722.db2.gz HAZNUDJZPWRRQW-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000779888504 628416431 /nfs/dbraw/zinc/41/64/31/628416431.db2.gz MAGQGRMLYWODQG-XVJNWHFHSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000779888504 628416432 /nfs/dbraw/zinc/41/64/32/628416432.db2.gz MAGQGRMLYWODQG-XVJNWHFHSA-N 1 2 298.346 2.927 20 5 CFBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569313 628721266 /nfs/dbraw/zinc/72/12/66/628721266.db2.gz DNWQKCJHRIJBJP-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569313 628721270 /nfs/dbraw/zinc/72/12/70/628721270.db2.gz DNWQKCJHRIJBJP-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791571674 629335174 /nfs/dbraw/zinc/33/51/74/629335174.db2.gz AZYIKTLTUXPIPC-RKDXNWHRSA-N 1 2 297.742 2.669 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000801540357 630455925 /nfs/dbraw/zinc/45/59/25/630455925.db2.gz ZEOIYRGBNCCLQY-LBPRGKRZSA-N 1 2 294.282 2.804 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000850507022 634022539 /nfs/dbraw/zinc/02/25/39/634022539.db2.gz DCEACOOOMLYCTK-DZGCQCFKSA-N 1 2 298.346 2.726 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880470895 644726226 /nfs/dbraw/zinc/72/62/26/644726226.db2.gz QYGKBIKFIJMDSS-FZMZJTMJSA-N 1 2 294.351 2.595 20 5 CFBDLO Cc1cccc2c1CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000885987855 646797648 /nfs/dbraw/zinc/79/76/48/646797648.db2.gz CFCIBTADOPWJHG-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccc2c1CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC000885987855 646797650 /nfs/dbraw/zinc/79/76/50/646797650.db2.gz CFCIBTADOPWJHG-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000886035770 646833181 /nfs/dbraw/zinc/83/31/81/646833181.db2.gz QNVYIWYPDNOSNG-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000886035770 646833183 /nfs/dbraw/zinc/83/31/83/646833183.db2.gz QNVYIWYPDNOSNG-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000886090316 646862934 /nfs/dbraw/zinc/86/29/34/646862934.db2.gz VATQPRFJXYAEIO-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000886090316 646862939 /nfs/dbraw/zinc/86/29/39/646862939.db2.gz VATQPRFJXYAEIO-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458568 649431932 /nfs/dbraw/zinc/43/19/32/649431932.db2.gz IHFVFAWATINNNX-QWRGUYRKSA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931458568 649431935 /nfs/dbraw/zinc/43/19/35/649431935.db2.gz IHFVFAWATINNNX-QWRGUYRKSA-N 1 2 286.335 2.998 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOC[C@]2(C)C2CC2)cc1[N+](=O)[O-] ZINC000934475039 649792143 /nfs/dbraw/zinc/79/21/43/649792143.db2.gz IJXSAPHZCXSSGB-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOC[C@]2(C)C2CC2)cc1[N+](=O)[O-] ZINC000934475039 649792145 /nfs/dbraw/zinc/79/21/45/649792145.db2.gz IJXSAPHZCXSSGB-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1cc([N+](=O)[O-])cc(NCc2cc[nH+]c(N)c2)c1F ZINC001167616682 770992320 /nfs/dbraw/zinc/99/23/20/770992320.db2.gz MKOJWDRROSWWJW-UHFFFAOYSA-N 1 2 276.271 2.632 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(OC2C[NH+](C(C)(C)C)C2)c1 ZINC001225681942 775557348 /nfs/dbraw/zinc/55/73/48/775557348.db2.gz HNFWQSRHTGKDNC-UHFFFAOYSA-N 1 2 264.325 2.765 20 5 CFBDLO Cc1[nH]c(CNc2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC000709056460 775818964 /nfs/dbraw/zinc/81/89/64/775818964.db2.gz IIBOLGDHBSXCGM-UHFFFAOYSA-N 1 2 264.260 2.686 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228013983 776363583 /nfs/dbraw/zinc/36/35/83/776363583.db2.gz BVLBEGMLDWBPSU-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO Cc1c(C)c([N+](=O)[O-])ccc1OC1C[NH+](C(C)C)C1 ZINC001229881977 776909169 /nfs/dbraw/zinc/90/91/69/776909169.db2.gz JKHSVNBCBSGBTM-UHFFFAOYSA-N 1 2 264.325 2.683 20 5 CFBDLO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000594512327 349436641 /nfs/dbraw/zinc/43/66/41/349436641.db2.gz KPHFINPAZARVAV-YPMHNXCESA-N 1 2 286.335 2.977 20 5 CFBDLO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000594512324 349436477 /nfs/dbraw/zinc/43/64/77/349436477.db2.gz KPHFINPAZARVAV-AAEUAGOBSA-N 1 2 286.335 2.977 20 5 CFBDLO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592879 349454480 /nfs/dbraw/zinc/45/44/80/349454480.db2.gz ZUXUSZQEJOMIFG-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592879 349454483 /nfs/dbraw/zinc/45/44/83/349454483.db2.gz ZUXUSZQEJOMIFG-MXWKQRLJSA-N 1 2 299.396 2.566 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncccn1)CCCC2 ZINC000595099041 349581523 /nfs/dbraw/zinc/58/15/23/349581523.db2.gz PVPWEMBIKDKAAQ-OAHLLOKOSA-N 1 2 298.346 2.942 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595316144 349600219 /nfs/dbraw/zinc/60/02/19/349600219.db2.gz CNGGDWJDVHZXOW-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595316144 349600220 /nfs/dbraw/zinc/60/02/20/349600220.db2.gz CNGGDWJDVHZXOW-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CCn1cc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595325744 349602406 /nfs/dbraw/zinc/60/24/06/349602406.db2.gz VURQRBLAQXCAFN-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO CCn1cc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595325744 349602408 /nfs/dbraw/zinc/60/24/08/349602408.db2.gz VURQRBLAQXCAFN-UHFFFAOYSA-N 1 2 292.314 2.582 20 5 CFBDLO Cc1noc(C[N@H+](Cc2ccccn2)C(C)C)c1[N+](=O)[O-] ZINC000595293930 349593259 /nfs/dbraw/zinc/59/32/59/349593259.db2.gz UOTWXRGGAPBKCW-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1noc(C[N@@H+](Cc2ccccn2)C(C)C)c1[N+](=O)[O-] ZINC000595293930 349593261 /nfs/dbraw/zinc/59/32/61/349593261.db2.gz UOTWXRGGAPBKCW-UHFFFAOYSA-N 1 2 290.323 2.697 20 5 CFBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])on1 ZINC000595299321 349596083 /nfs/dbraw/zinc/59/60/83/349596083.db2.gz XNHCGKOWGSYEKD-JTQLQIEISA-N 1 2 292.295 2.525 20 5 CFBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])on1 ZINC000595299321 349596086 /nfs/dbraw/zinc/59/60/86/349596086.db2.gz XNHCGKOWGSYEKD-JTQLQIEISA-N 1 2 292.295 2.525 20 5 CFBDLO Cc1noc(C[NH2+]C(C)(C)c2ccccc2)c1[N+](=O)[O-] ZINC000595307377 349597988 /nfs/dbraw/zinc/59/79/88/349597988.db2.gz UJGQHPCHOCSWTE-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO C[C@H]1[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000595347459 349607274 /nfs/dbraw/zinc/60/72/74/349607274.db2.gz PSFBPENDKDKFNI-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCOC1(C)C ZINC000595347459 349607276 /nfs/dbraw/zinc/60/72/76/349607276.db2.gz PSFBPENDKDKFNI-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595414273 349618806 /nfs/dbraw/zinc/61/88/06/349618806.db2.gz FZFKOHKCCHSNAV-VIFPVBQESA-N 1 2 261.281 2.742 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595399642 349617117 /nfs/dbraw/zinc/61/71/17/349617117.db2.gz DYNRLDSORZTJOC-LBPRGKRZSA-N 1 2 290.323 2.869 20 5 CFBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595399642 349617118 /nfs/dbraw/zinc/61/71/18/349617118.db2.gz DYNRLDSORZTJOC-LBPRGKRZSA-N 1 2 290.323 2.869 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000595429015 349623419 /nfs/dbraw/zinc/62/34/19/349623419.db2.gz AXYYIWSOJFJLNO-GFCCVEGCSA-N 1 2 294.282 2.804 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000595444936 349628642 /nfs/dbraw/zinc/62/86/42/349628642.db2.gz IDFGLYSXIXDLOS-LBPRGKRZSA-N 1 2 294.282 2.540 20 5 CFBDLO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000125516559 187188949 /nfs/dbraw/zinc/18/89/49/187188949.db2.gz AXEFDWSDDWZFFN-HZRUHFOJSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000125516559 187188950 /nfs/dbraw/zinc/18/89/50/187188950.db2.gz AXEFDWSDDWZFFN-HZRUHFOJSA-N 1 2 276.336 2.719 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619018 349678690 /nfs/dbraw/zinc/67/86/90/349678690.db2.gz YHCHBCREXBRFGD-ZDUSSCGKSA-N 1 2 282.365 2.657 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619018 349678695 /nfs/dbraw/zinc/67/86/95/349678695.db2.gz YHCHBCREXBRFGD-ZDUSSCGKSA-N 1 2 282.365 2.657 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595679197 349697827 /nfs/dbraw/zinc/69/78/27/349697827.db2.gz BSZAIARZLXHOGB-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000595679197 349697832 /nfs/dbraw/zinc/69/78/32/349697832.db2.gz BSZAIARZLXHOGB-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000054342869 346565670 /nfs/dbraw/zinc/56/56/70/346565670.db2.gz NBHXDHSUXZOXCY-GJZGRUSLSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000054342869 346565673 /nfs/dbraw/zinc/56/56/73/346565673.db2.gz NBHXDHSUXZOXCY-GJZGRUSLSA-N 1 2 276.336 2.657 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCCNc2cccc[nH+]2)nc1 ZINC000060369799 346663732 /nfs/dbraw/zinc/66/37/32/346663732.db2.gz URMWFFZYPFLHFN-UHFFFAOYSA-N 1 2 287.323 2.689 20 5 CFBDLO C[C@H]1C[NH+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075893955 347107120 /nfs/dbraw/zinc/10/71/20/347107120.db2.gz GWNFEADZVIIBFQ-IUCAKERBSA-N 1 2 272.395 2.982 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000067182699 346794727 /nfs/dbraw/zinc/79/47/27/346794727.db2.gz PMTVLAZZQUTDMP-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1cc(Oc2cc(-n3cc[nH+]c3)ncn2)ccc1[N+](=O)[O-] ZINC000077187644 347171748 /nfs/dbraw/zinc/17/17/48/347171748.db2.gz CSOMBGBDYICOLA-UHFFFAOYSA-N 1 2 297.274 2.671 20 5 CFBDLO C[C@@H]([N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900223 347602092 /nfs/dbraw/zinc/60/20/92/347602092.db2.gz HCTQQNUZJUWRSC-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]([N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900223 347602097 /nfs/dbraw/zinc/60/20/97/347602097.db2.gz HCTQQNUZJUWRSC-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]([NH2+]Cc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090720656 347555200 /nfs/dbraw/zinc/55/52/00/347555200.db2.gz WIMQFBDVSWNKJY-JTQLQIEISA-N 1 2 275.283 2.980 20 5 CFBDLO Cc1cccn2cc(CNc3cc(C)c([N+](=O)[O-])cn3)[nH+]c12 ZINC000091628186 347594171 /nfs/dbraw/zinc/59/41/71/347594171.db2.gz PXXFDXAZAPIHFD-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])c(C)n3)[nH+]c12 ZINC000091628202 347594228 /nfs/dbraw/zinc/59/42/28/347594228.db2.gz INDHPEWFSMRSJP-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO CC(C)(C)C[N@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093145894 347662891 /nfs/dbraw/zinc/66/28/91/347662891.db2.gz YGIDQPQJWIUPBK-UHFFFAOYSA-N 1 2 296.367 2.531 20 5 CFBDLO CC(C)(C)C[N@@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093145894 347662893 /nfs/dbraw/zinc/66/28/93/347662893.db2.gz YGIDQPQJWIUPBK-UHFFFAOYSA-N 1 2 296.367 2.531 20 5 CFBDLO CCC(C)(C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093279267 347667222 /nfs/dbraw/zinc/66/72/22/347667222.db2.gz VIGKHIAXVCMUQE-UHFFFAOYSA-N 1 2 252.314 2.921 20 5 CFBDLO CCC(C)(C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093279267 347667224 /nfs/dbraw/zinc/66/72/24/347667224.db2.gz VIGKHIAXVCMUQE-UHFFFAOYSA-N 1 2 252.314 2.921 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccco1)C2 ZINC000093443634 347674229 /nfs/dbraw/zinc/67/42/29/347674229.db2.gz UFMUDESSKQCYBX-UHFFFAOYSA-N 1 2 258.277 2.746 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccco1)C2 ZINC000093443634 347674232 /nfs/dbraw/zinc/67/42/32/347674232.db2.gz UFMUDESSKQCYBX-UHFFFAOYSA-N 1 2 258.277 2.746 20 5 CFBDLO CCO[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156102073 347991643 /nfs/dbraw/zinc/99/16/43/347991643.db2.gz KVRDVRSUIKJXLJ-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO CCO[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156102073 347991645 /nfs/dbraw/zinc/99/16/45/347991645.db2.gz KVRDVRSUIKJXLJ-LLVKDONJSA-N 1 2 270.354 2.657 20 5 CFBDLO Cc1cccc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[nH+]1 ZINC000280534978 348341218 /nfs/dbraw/zinc/34/12/18/348341218.db2.gz RWDTUJKHKAYPAE-UHFFFAOYSA-N 1 2 298.346 2.921 20 5 CFBDLO CCC(=O)c1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000291153835 348354161 /nfs/dbraw/zinc/35/41/61/348354161.db2.gz PFXTYIQLMSIRKK-UHFFFAOYSA-N 1 2 288.307 2.533 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCOC3)c2c1 ZINC000413077773 233015339 /nfs/dbraw/zinc/01/53/39/233015339.db2.gz SAIWAHMAXAKVAR-SNVBAGLBSA-N 1 2 273.292 2.591 20 5 CFBDLO COCCCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413088970 233016734 /nfs/dbraw/zinc/01/67/34/233016734.db2.gz APABXOVTNWCQBL-UHFFFAOYSA-N 1 2 289.335 2.794 20 5 CFBDLO Cn1c[nH+]c(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])c1 ZINC000313477193 348423357 /nfs/dbraw/zinc/42/33/57/348423357.db2.gz AOXOQOIDZBRPHP-UHFFFAOYSA-N 1 2 296.277 2.921 20 5 CFBDLO COCC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413263078 233043416 /nfs/dbraw/zinc/04/34/16/233043416.db2.gz HYWZHFIIHVERBN-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000590537358 348908004 /nfs/dbraw/zinc/90/80/04/348908004.db2.gz GXWLQXAXVISPDK-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO CCO[C@@H]1C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591159139 348994690 /nfs/dbraw/zinc/99/46/90/348994690.db2.gz NTSWGNIZMYVLEV-CHWSQXEVSA-N 1 2 273.292 2.732 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061486 349198520 /nfs/dbraw/zinc/19/85/20/349198520.db2.gz CCHIDBPDSJWILT-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061486 349198523 /nfs/dbraw/zinc/19/85/23/349198523.db2.gz CCHIDBPDSJWILT-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094217 349207746 /nfs/dbraw/zinc/20/77/46/349207746.db2.gz XRARSRBYGAMLGF-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593094217 349207750 /nfs/dbraw/zinc/20/77/50/349207750.db2.gz XRARSRBYGAMLGF-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593665414 349306846 /nfs/dbraw/zinc/30/68/46/349306846.db2.gz CFGSNMIXKOTTSI-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593665414 349306850 /nfs/dbraw/zinc/30/68/50/349306850.db2.gz CFGSNMIXKOTTSI-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594055077 349365232 /nfs/dbraw/zinc/36/52/32/349365232.db2.gz ZBIDYUYFESGYEL-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594055077 349365234 /nfs/dbraw/zinc/36/52/34/349365234.db2.gz ZBIDYUYFESGYEL-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO CC(C)(CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599061262 350367996 /nfs/dbraw/zinc/36/79/96/350367996.db2.gz PQGHFJAGAZTKLB-UHFFFAOYSA-N 1 2 275.308 2.573 20 5 CFBDLO CCOCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599017661 350359585 /nfs/dbraw/zinc/35/95/85/350359585.db2.gz YVRKEAJRDDJBKJ-UHFFFAOYSA-N 1 2 275.308 2.982 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599039003 350362559 /nfs/dbraw/zinc/36/25/59/350362559.db2.gz FXVABOMOBWUZPV-NSHDSACASA-N 1 2 273.292 2.734 20 5 CFBDLO C[C@@H](O)C[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046750 350365069 /nfs/dbraw/zinc/36/50/69/350365069.db2.gz MKGSYVYCHSSXCU-GHMZBOCLSA-N 1 2 289.335 2.962 20 5 CFBDLO CC[C@H](CCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599049483 350365765 /nfs/dbraw/zinc/36/57/65/350365765.db2.gz YHIIOWRBFLLVBS-LLVKDONJSA-N 1 2 275.308 2.716 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](F)C1 ZINC000599083426 350372539 /nfs/dbraw/zinc/37/25/39/350372539.db2.gz LROVDDMZLAZIBX-SNVBAGLBSA-N 1 2 261.256 2.691 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000599099244 350376004 /nfs/dbraw/zinc/37/60/04/350376004.db2.gz GADMDISKHZMMAU-ZDUSSCGKSA-N 1 2 298.346 2.996 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc(C)cc3[N+](=O)[O-])C2)c1 ZINC000599099243 350376101 /nfs/dbraw/zinc/37/61/01/350376101.db2.gz GADMDISKHZMMAU-CYBMUJFWSA-N 1 2 298.346 2.996 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1C ZINC000107292071 186166672 /nfs/dbraw/zinc/16/66/72/186166672.db2.gz VURXLSSHFUIIQZ-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CCOCC[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000107677696 186185416 /nfs/dbraw/zinc/18/54/16/186185416.db2.gz SRFWOFYMQWSNMW-UHFFFAOYSA-N 1 2 270.304 2.592 20 5 CFBDLO CCOCC[N@@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000107677696 186185417 /nfs/dbraw/zinc/18/54/17/186185417.db2.gz SRFWOFYMQWSNMW-UHFFFAOYSA-N 1 2 270.304 2.592 20 5 CFBDLO Cc1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000600790488 350612978 /nfs/dbraw/zinc/61/29/78/350612978.db2.gz LDEMTCWTKCTZFP-UHFFFAOYSA-N 1 2 299.330 2.802 20 5 CFBDLO CC(C)(CNc1sccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198605 350694921 /nfs/dbraw/zinc/69/49/21/350694921.db2.gz YPBVSWRKIPKUSC-UHFFFAOYSA-N 1 2 266.326 2.700 20 5 CFBDLO Cc1noc(C)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111158572 186362260 /nfs/dbraw/zinc/36/22/60/186362260.db2.gz SBXRMRSMTJCZDN-UHFFFAOYSA-N 1 2 267.310 2.551 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275670 186386232 /nfs/dbraw/zinc/38/62/32/186386232.db2.gz JRHNDQJHWIPHQV-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000111275670 186386234 /nfs/dbraw/zinc/38/62/34/186386234.db2.gz JRHNDQJHWIPHQV-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602760056 351016104 /nfs/dbraw/zinc/01/61/04/351016104.db2.gz VPFWTTQJHLANON-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602760056 351016107 /nfs/dbraw/zinc/01/61/07/351016107.db2.gz VPFWTTQJHLANON-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1Cl ZINC000602782629 351023517 /nfs/dbraw/zinc/02/35/17/351023517.db2.gz IPODBBBBRSCOPS-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC=CCC2)c1 ZINC000611521212 351703577 /nfs/dbraw/zinc/70/35/77/351703577.db2.gz WBKPDYJNUACBFL-UHFFFAOYSA-N 1 2 284.262 2.958 20 5 CFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC=CCC2)c1 ZINC000611521212 351703580 /nfs/dbraw/zinc/70/35/80/351703580.db2.gz WBKPDYJNUACBFL-UHFFFAOYSA-N 1 2 284.262 2.958 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000611370884 351676562 /nfs/dbraw/zinc/67/65/62/351676562.db2.gz OWBMNWJJQURAGO-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271528069 191194823 /nfs/dbraw/zinc/19/48/23/191194823.db2.gz PGGRCLGDSKSXPH-ZJUUUORDSA-N 1 2 289.339 2.687 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(F)(F)CC3)nc2c1 ZINC000619516062 353031656 /nfs/dbraw/zinc/03/16/56/353031656.db2.gz HNXGMCDWWRNLPC-UHFFFAOYSA-N 1 2 297.261 2.967 20 5 CFBDLO CC[C@H]([NH2+]Cc1nonc1C)c1cccc([N+](=O)[O-])c1 ZINC000271791192 191329555 /nfs/dbraw/zinc/32/95/55/191329555.db2.gz NCIPPWJLTZWTTM-LBPRGKRZSA-N 1 2 276.296 2.527 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000431512678 383680059 /nfs/dbraw/zinc/68/00/59/383680059.db2.gz HFHFDOOOYFZZSU-UHFFFAOYSA-N 1 2 277.255 2.750 20 5 CFBDLO CN(Cc1c[nH+]cn1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000177247150 189039173 /nfs/dbraw/zinc/03/91/73/189039173.db2.gz AQRIMPKGHABKNB-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cc1cc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc[nH+]1 ZINC000301731074 201164003 /nfs/dbraw/zinc/16/40/03/201164003.db2.gz SMSVCRPROIAVIK-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO Cc1cc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc[nH+]1 ZINC000301872892 201240767 /nfs/dbraw/zinc/24/07/67/201240767.db2.gz FZCSDUROQQRYAJ-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341872771 299345727 /nfs/dbraw/zinc/34/57/27/299345727.db2.gz FMLDXPZTRFSUMF-QWRGUYRKSA-N 1 2 274.324 2.740 20 5 CFBDLO COc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000444681559 241167765 /nfs/dbraw/zinc/16/77/65/241167765.db2.gz VGSKXDPLRUMGSY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000444681559 241167767 /nfs/dbraw/zinc/16/77/67/241167767.db2.gz VGSKXDPLRUMGSY-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2nccn21 ZINC000449569090 242040013 /nfs/dbraw/zinc/04/00/13/242040013.db2.gz GEFBOWUPTQKOND-NOZJJQNGSA-N 1 2 290.298 2.726 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450830224 242627225 /nfs/dbraw/zinc/62/72/25/242627225.db2.gz NNKNTTLIEIUOGE-VXNVDRBHSA-N 1 2 293.714 2.958 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000138923722 296151625 /nfs/dbraw/zinc/15/16/25/296151625.db2.gz HIDWNDXEBPEVMZ-VHSXEESVSA-N 1 2 260.297 2.730 20 5 CFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)F ZINC000459550535 245215566 /nfs/dbraw/zinc/21/55/66/245215566.db2.gz UHFKTODTYSALKH-WEVVVXLNSA-N 1 2 256.252 2.853 20 5 CFBDLO COC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459585479 245229353 /nfs/dbraw/zinc/22/93/53/245229353.db2.gz RXHSUCMIXFKBLI-UHFFFAOYSA-N 1 2 288.303 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3cccs3)C2)cc1 ZINC000459621269 245245708 /nfs/dbraw/zinc/24/57/08/245245708.db2.gz MVWLJNZHOWIWSK-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO CN(C)c1ccc(Nc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000024240335 372272739 /nfs/dbraw/zinc/27/27/39/372272739.db2.gz WCICODJUDYHOLM-UHFFFAOYSA-N 1 2 258.281 2.799 20 5 CFBDLO Cc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000037668349 372689079 /nfs/dbraw/zinc/68/90/79/372689079.db2.gz GUKNGUQISLLGCM-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000048572853 373203834 /nfs/dbraw/zinc/20/38/34/373203834.db2.gz HWSBIJOKVXOJDO-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000048572853 373203842 /nfs/dbraw/zinc/20/38/42/373203842.db2.gz HWSBIJOKVXOJDO-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccn2)c(Cl)c1 ZINC000049963224 373336900 /nfs/dbraw/zinc/33/69/00/373336900.db2.gz YSPXRMUCWHKFAD-UHFFFAOYSA-N 1 2 277.711 2.933 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000491852161 246098391 /nfs/dbraw/zinc/09/83/91/246098391.db2.gz WUVWIJBNMPTYHS-BQYQJAHWSA-N 1 2 297.314 2.626 20 5 CFBDLO CC[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091980352 375076226 /nfs/dbraw/zinc/07/62/26/375076226.db2.gz AXKZHAMCCAEZPK-DYLGSBMWSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091980352 375076234 /nfs/dbraw/zinc/07/62/34/375076234.db2.gz AXKZHAMCCAEZPK-DYLGSBMWSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000092487058 375116277 /nfs/dbraw/zinc/11/62/77/375116277.db2.gz PIBLEOVYBIGYGH-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000092487058 375116285 /nfs/dbraw/zinc/11/62/85/375116285.db2.gz PIBLEOVYBIGYGH-GXTWGEPZSA-N 1 2 278.352 2.903 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(O)c1)CC2 ZINC000093338368 375217841 /nfs/dbraw/zinc/21/78/41/375217841.db2.gz HGEWYIGGPJIYQD-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000093338368 375217850 /nfs/dbraw/zinc/21/78/50/375217850.db2.gz HGEWYIGGPJIYQD-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774869 375379818 /nfs/dbraw/zinc/37/98/18/375379818.db2.gz SXLJZEOAKHYUDS-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774869 375379825 /nfs/dbraw/zinc/37/98/25/375379825.db2.gz SXLJZEOAKHYUDS-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1nccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000507243074 247170142 /nfs/dbraw/zinc/17/01/42/247170142.db2.gz JURNUPHMZZYYBX-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1nccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000507243074 247170145 /nfs/dbraw/zinc/17/01/45/247170145.db2.gz JURNUPHMZZYYBX-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO C[C@H]([NH2+]Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000111625102 375858832 /nfs/dbraw/zinc/85/88/32/375858832.db2.gz RQZGIQBTNKBXSL-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000135981798 378173725 /nfs/dbraw/zinc/17/37/25/378173725.db2.gz FUINBCGOGMHTPW-UHFFFAOYSA-N 1 2 292.726 2.862 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000330452987 378559724 /nfs/dbraw/zinc/55/97/24/378559724.db2.gz LEZNYYTZHDZJGR-ZJUUUORDSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000330452987 378559727 /nfs/dbraw/zinc/55/97/27/378559727.db2.gz LEZNYYTZHDZJGR-ZJUUUORDSA-N 1 2 250.298 2.531 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330503456 378572736 /nfs/dbraw/zinc/57/27/36/378572736.db2.gz CQTSMUHNDGPCNY-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330503456 378572743 /nfs/dbraw/zinc/57/27/43/378572743.db2.gz CQTSMUHNDGPCNY-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000332499392 378771098 /nfs/dbraw/zinc/77/10/98/378771098.db2.gz COXLZHJIIDCLJA-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000332499392 378771102 /nfs/dbraw/zinc/77/11/02/378771102.db2.gz COXLZHJIIDCLJA-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000332524570 378772740 /nfs/dbraw/zinc/77/27/40/378772740.db2.gz OCOOLGSRTXULOS-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000332524570 378772744 /nfs/dbraw/zinc/77/27/44/378772744.db2.gz OCOOLGSRTXULOS-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278511158 194019429 /nfs/dbraw/zinc/01/94/29/194019429.db2.gz BJMYYDMAHLKLAW-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278511158 194019432 /nfs/dbraw/zinc/01/94/32/194019432.db2.gz BJMYYDMAHLKLAW-AWEZNQCLSA-N 1 2 272.308 2.655 20 5 CFBDLO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000171823984 379414385 /nfs/dbraw/zinc/41/43/85/379414385.db2.gz JGAOTRWFFLHDSM-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000171823984 379414392 /nfs/dbraw/zinc/41/43/92/379414392.db2.gz JGAOTRWFFLHDSM-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336813316 380675239 /nfs/dbraw/zinc/67/52/39/380675239.db2.gz UECGEVFAPLOIED-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336813316 380675242 /nfs/dbraw/zinc/67/52/42/380675242.db2.gz UECGEVFAPLOIED-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000411972847 381078552 /nfs/dbraw/zinc/07/85/52/381078552.db2.gz QSKDMKQBDYDTLM-BMIGLBTASA-N 1 2 294.351 2.594 20 5 CFBDLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412047122 381124817 /nfs/dbraw/zinc/12/48/17/381124817.db2.gz RXQGFLATVSQREA-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412047122 381124827 /nfs/dbraw/zinc/12/48/27/381124827.db2.gz RXQGFLATVSQREA-JTQLQIEISA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)n1 ZINC000359091330 381260795 /nfs/dbraw/zinc/26/07/95/381260795.db2.gz HMJRRSFFRNSWBM-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)OC ZINC000291341017 381754280 /nfs/dbraw/zinc/75/42/80/381754280.db2.gz WTGASAGDTIZHRP-VIFPVBQESA-N 1 2 288.294 2.730 20 5 CFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)OC ZINC000291341017 381754287 /nfs/dbraw/zinc/75/42/87/381754287.db2.gz WTGASAGDTIZHRP-VIFPVBQESA-N 1 2 288.294 2.730 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccon1 ZINC000349231839 381855280 /nfs/dbraw/zinc/85/52/80/381855280.db2.gz ATVBAHNNHAZWLJ-MRVPVSSYSA-N 1 2 265.244 2.573 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000372954520 381896577 /nfs/dbraw/zinc/89/65/77/381896577.db2.gz WIWYIGDSONQPMN-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000372954520 381896581 /nfs/dbraw/zinc/89/65/81/381896581.db2.gz WIWYIGDSONQPMN-CQSZACIVSA-N 1 2 286.335 2.665 20 5 CFBDLO COc1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000357430376 382167846 /nfs/dbraw/zinc/16/78/46/382167846.db2.gz AOOVDAMLQCGBGT-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000302783893 382317700 /nfs/dbraw/zinc/31/77/00/382317700.db2.gz UKHDAIHOMMNTJS-UHFFFAOYSA-N 1 2 278.699 2.838 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000357883760 382362312 /nfs/dbraw/zinc/36/23/12/382362312.db2.gz UGVVZWBSKDEYGZ-UHFFFAOYSA-N 1 2 297.318 2.517 20 5 CFBDLO Cc1cccnc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704936 382452942 /nfs/dbraw/zinc/45/29/42/382452942.db2.gz HTPPZKXJUZKCSE-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1cccnc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352704936 382452948 /nfs/dbraw/zinc/45/29/48/382452948.db2.gz HTPPZKXJUZKCSE-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccoc1 ZINC000358226971 382513347 /nfs/dbraw/zinc/51/33/47/382513347.db2.gz STPVWIXNJAYOCW-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccoc1 ZINC000358226971 382513349 /nfs/dbraw/zinc/51/33/49/382513349.db2.gz STPVWIXNJAYOCW-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194508484 382746456 /nfs/dbraw/zinc/74/64/56/382746456.db2.gz AYCGDDFDKBTHFX-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339005740 383118572 /nfs/dbraw/zinc/11/85/72/383118572.db2.gz ZNGOZXWXLXSXPK-QWRGUYRKSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339005740 383118576 /nfs/dbraw/zinc/11/85/76/383118576.db2.gz ZNGOZXWXLXSXPK-QWRGUYRKSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000247976659 383203673 /nfs/dbraw/zinc/20/36/73/383203673.db2.gz HWRDDZKKQBQMAO-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000247976659 383203676 /nfs/dbraw/zinc/20/36/76/383203676.db2.gz HWRDDZKKQBQMAO-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1Cl ZINC000339653810 383274270 /nfs/dbraw/zinc/27/42/70/383274270.db2.gz XUUHRMNIJWCCDV-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)CCCC2 ZINC000567096052 383240268 /nfs/dbraw/zinc/24/02/68/383240268.db2.gz VOGUBOWKAUYIRJ-HNNXBMFYSA-N 1 2 286.335 2.875 20 5 CFBDLO Cc1cnc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000450821825 383503197 /nfs/dbraw/zinc/50/31/97/383503197.db2.gz ALHXALOENRPNRT-UWVGGRQHSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1[nH]c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000569504430 383506912 /nfs/dbraw/zinc/50/69/12/383506912.db2.gz VCAMEFORLVAVMG-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000450833014 383510795 /nfs/dbraw/zinc/51/07/95/383510795.db2.gz SMNVYSIRILEBKF-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429698038 383560911 /nfs/dbraw/zinc/56/09/11/383560911.db2.gz BEUHRMNRQUSLOR-UHFFFAOYSA-N 1 2 272.304 2.932 20 5 CFBDLO C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429698038 383560914 /nfs/dbraw/zinc/56/09/14/383560914.db2.gz BEUHRMNRQUSLOR-UHFFFAOYSA-N 1 2 272.304 2.932 20 5 CFBDLO Cc1nn(CCCc2[nH]c3ccccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000571236021 383675934 /nfs/dbraw/zinc/67/59/34/383675934.db2.gz GCIBHASNTCPVGT-UHFFFAOYSA-N 1 2 299.334 2.917 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000431478286 383674871 /nfs/dbraw/zinc/67/48/71/383674871.db2.gz PSCUZHNQPFMRBK-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO Cc1c(NC(=O)C[C@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000572726194 383810980 /nfs/dbraw/zinc/81/09/80/383810980.db2.gz NPMVSMHRESMWIV-JTQLQIEISA-N 1 2 288.307 2.690 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccon1 ZINC000265739282 383988650 /nfs/dbraw/zinc/98/86/50/383988650.db2.gz BQMLUZDOLFPYLK-SNVBAGLBSA-N 1 2 261.281 2.776 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccon1 ZINC000265739282 383988654 /nfs/dbraw/zinc/98/86/54/383988654.db2.gz BQMLUZDOLFPYLK-SNVBAGLBSA-N 1 2 261.281 2.776 20 5 CFBDLO Cc1nc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000289373024 197317997 /nfs/dbraw/zinc/31/79/97/197317997.db2.gz KJFCIAFFOCNJFV-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1nc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000289373024 197317999 /nfs/dbraw/zinc/31/79/99/197317999.db2.gz KJFCIAFFOCNJFV-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C2CC2)O1 ZINC000279382839 384620340 /nfs/dbraw/zinc/62/03/40/384620340.db2.gz SXBVOTRRNDVWMF-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C2CC2)O1 ZINC000279382839 384620346 /nfs/dbraw/zinc/62/03/46/384620346.db2.gz SXBVOTRRNDVWMF-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCc2occc2C1 ZINC000339202141 285136459 /nfs/dbraw/zinc/13/64/59/285136459.db2.gz HKMYYHBZVNVDKQ-UHFFFAOYSA-N 1 2 288.303 2.842 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCc2occc2C1 ZINC000339202141 285136460 /nfs/dbraw/zinc/13/64/60/285136460.db2.gz HKMYYHBZVNVDKQ-UHFFFAOYSA-N 1 2 288.303 2.842 20 5 CFBDLO Cc1ccnc(NCCc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000270006997 384939492 /nfs/dbraw/zinc/93/94/92/384939492.db2.gz STPIMDLLEZRPJD-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628179 385091350 /nfs/dbraw/zinc/09/13/50/385091350.db2.gz QERMHLBEDKZTPV-WBMJQRKESA-N 1 2 290.363 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628179 385091357 /nfs/dbraw/zinc/09/13/57/385091357.db2.gz QERMHLBEDKZTPV-WBMJQRKESA-N 1 2 290.363 2.903 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C2CC2)O1 ZINC000282470248 385321301 /nfs/dbraw/zinc/32/13/01/385321301.db2.gz KQLPTNMIYVRLEG-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H](C2CC2)O1 ZINC000282470248 385321307 /nfs/dbraw/zinc/32/13/07/385321307.db2.gz KQLPTNMIYVRLEG-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc(C)on1 ZINC000282693953 385372322 /nfs/dbraw/zinc/37/23/22/385372322.db2.gz KMWNHLHINFVZKL-SNVBAGLBSA-N 1 2 291.307 2.751 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000272303528 385504478 /nfs/dbraw/zinc/50/44/78/385504478.db2.gz NVKLEEFVORCWMU-ZDUSSCGKSA-N 1 2 294.282 2.804 20 5 CFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000352997822 285184731 /nfs/dbraw/zinc/18/47/31/285184731.db2.gz OQDNGBCMDLPZIM-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000352997822 285184732 /nfs/dbraw/zinc/18/47/32/285184732.db2.gz OQDNGBCMDLPZIM-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000276859470 386062447 /nfs/dbraw/zinc/06/24/47/386062447.db2.gz GEWGJFIZSLQYFK-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000276859470 386062452 /nfs/dbraw/zinc/06/24/52/386062452.db2.gz GEWGJFIZSLQYFK-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744989 132060051 /nfs/dbraw/zinc/06/00/51/132060051.db2.gz RKUWJOVXZPQEII-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744989 132060052 /nfs/dbraw/zinc/06/00/52/132060052.db2.gz RKUWJOVXZPQEII-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311242217 393520437 /nfs/dbraw/zinc/52/04/37/393520437.db2.gz XFZHGPIZKIXLRJ-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311242217 393520441 /nfs/dbraw/zinc/52/04/41/393520441.db2.gz XFZHGPIZKIXLRJ-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000072980121 393651945 /nfs/dbraw/zinc/65/19/45/393651945.db2.gz TUMKTPZVOWCTAV-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000072980121 393651949 /nfs/dbraw/zinc/65/19/49/393651949.db2.gz TUMKTPZVOWCTAV-AWEZNQCLSA-N 1 2 278.352 2.842 20 5 CFBDLO Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000075285157 393671704 /nfs/dbraw/zinc/67/17/04/393671704.db2.gz LGOSZSHWGBACTK-QPJJXVBHSA-N 1 2 283.287 2.950 20 5 CFBDLO O=[N+]([O-])c1cccc(CCNc2cc[nH+]c3ccncc23)c1 ZINC000340078687 393835577 /nfs/dbraw/zinc/83/55/77/393835577.db2.gz KNKZJHGYTNXSBJ-UHFFFAOYSA-N 1 2 294.314 2.615 20 5 CFBDLO Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121531192 393956560 /nfs/dbraw/zinc/95/65/60/393956560.db2.gz ARXYWNCDFXEHQL-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209524 393968855 /nfs/dbraw/zinc/96/88/55/393968855.db2.gz RJRDZKWGXNFHJQ-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209524 393968857 /nfs/dbraw/zinc/96/88/57/393968857.db2.gz RJRDZKWGXNFHJQ-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229432 393970552 /nfs/dbraw/zinc/97/05/52/393970552.db2.gz VJXCSOVIRKDMHS-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430229432 393970553 /nfs/dbraw/zinc/97/05/53/393970553.db2.gz VJXCSOVIRKDMHS-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285938449 394169036 /nfs/dbraw/zinc/16/90/36/394169036.db2.gz JFKVJNOLQXHHQU-MRVPVSSYSA-N 1 2 288.319 2.810 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCS1 ZINC000285938449 394169038 /nfs/dbraw/zinc/16/90/38/394169038.db2.gz JFKVJNOLQXHHQU-MRVPVSSYSA-N 1 2 288.319 2.810 20 5 CFBDLO CCc1nocc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000293540319 394283589 /nfs/dbraw/zinc/28/35/89/394283589.db2.gz XWVUQYUNMOVTPE-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO CCc1nocc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000293540319 394283592 /nfs/dbraw/zinc/28/35/92/394283592.db2.gz XWVUQYUNMOVTPE-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000548096649 394910329 /nfs/dbraw/zinc/91/03/29/394910329.db2.gz DRQFEHZPPSIJDJ-RKDXNWHRSA-N 1 2 268.288 2.725 20 5 CFBDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548098206 394911095 /nfs/dbraw/zinc/91/10/95/394911095.db2.gz DDXXQQYVQHEGRG-RKDXNWHRSA-N 1 2 297.742 2.669 20 5 CFBDLO Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC000356129426 155168680 /nfs/dbraw/zinc/16/86/80/155168680.db2.gz BROZQCLRSGKPOT-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449758895 286205379 /nfs/dbraw/zinc/20/53/79/286205379.db2.gz HRRLLEKUICWOSW-UKRRQHHQSA-N 1 2 294.351 2.738 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000293546558 286220348 /nfs/dbraw/zinc/22/03/48/286220348.db2.gz YPYGIYWBRVJEPG-BDAKNGLRSA-N 1 2 268.288 2.583 20 5 CFBDLO COc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000293546558 286220350 /nfs/dbraw/zinc/22/03/50/286220350.db2.gz YPYGIYWBRVJEPG-BDAKNGLRSA-N 1 2 268.288 2.583 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000272395500 292295380 /nfs/dbraw/zinc/29/53/80/292295380.db2.gz DGAAKHFJEVVMDZ-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2n[nH]cc2C1 ZINC000272395500 292295381 /nfs/dbraw/zinc/29/53/81/292295381.db2.gz DGAAKHFJEVVMDZ-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105302 157069763 /nfs/dbraw/zinc/06/97/63/157069763.db2.gz HXJUAFCOIGCIQS-HONMWMINSA-N 1 2 262.309 2.519 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374105302 157069764 /nfs/dbraw/zinc/06/97/64/157069764.db2.gz HXJUAFCOIGCIQS-HONMWMINSA-N 1 2 262.309 2.519 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc(OC)c([N+](=O)[O-])c1 ZINC000341261934 161605320 /nfs/dbraw/zinc/60/53/20/161605320.db2.gz BBDOBNZBKVTXQA-UHFFFAOYSA-N 1 2 290.275 2.586 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)cs1 ZINC000344383654 162029391 /nfs/dbraw/zinc/02/93/91/162029391.db2.gz PJBCJVIVUXEJAN-GFCCVEGCSA-N 1 2 296.323 2.619 20 5 CFBDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000345350560 162233846 /nfs/dbraw/zinc/23/38/46/162233846.db2.gz HVLUYBYGFXLPMH-MFKMUULPSA-N 1 2 272.308 2.587 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000352760059 163228167 /nfs/dbraw/zinc/22/81/67/163228167.db2.gz NKTWTKSDYOVYDA-UHFFFAOYSA-N 1 2 294.257 2.868 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000010165097 170399766 /nfs/dbraw/zinc/39/97/66/170399766.db2.gz GEECMNLYCMNXQQ-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC000035694738 172364129 /nfs/dbraw/zinc/36/41/29/172364129.db2.gz UFHQTCCUYZKWJS-SNVBAGLBSA-N 1 2 275.283 2.980 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285723893 196379284 /nfs/dbraw/zinc/37/92/84/196379284.db2.gz QFXYZKARIUDAAU-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000285723893 196379285 /nfs/dbraw/zinc/37/92/85/196379285.db2.gz QFXYZKARIUDAAU-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000518782834 262048243 /nfs/dbraw/zinc/04/82/43/262048243.db2.gz OCRDDZFCDDBOLD-NSHDSACASA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000518782834 262048245 /nfs/dbraw/zinc/04/82/45/262048245.db2.gz OCRDDZFCDDBOLD-NSHDSACASA-N 1 2 298.314 2.546 20 5 CFBDLO CC[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000391884400 265024477 /nfs/dbraw/zinc/02/44/77/265024477.db2.gz XNVJMIGJFCSAFC-GXFFZTMASA-N 1 2 289.339 2.525 20 5 CFBDLO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)OCC ZINC000429718892 276256221 /nfs/dbraw/zinc/25/62/21/276256221.db2.gz BNGNJJZWXCTQHD-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)OCC ZINC000429718892 276256222 /nfs/dbraw/zinc/25/62/22/276256222.db2.gz BNGNJJZWXCTQHD-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO C[C@H](c1cnccn1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332513073 278315347 /nfs/dbraw/zinc/31/53/47/278315347.db2.gz IWNJIRFKIHWNGO-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1cnccn1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332513073 278315349 /nfs/dbraw/zinc/31/53/49/278315349.db2.gz IWNJIRFKIHWNGO-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000023706666 280133934 /nfs/dbraw/zinc/13/39/34/280133934.db2.gz YSSLGNUBPQZUNU-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000023706666 280133935 /nfs/dbraw/zinc/13/39/35/280133935.db2.gz YSSLGNUBPQZUNU-LBPRGKRZSA-N 1 2 271.320 2.973 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCCOC3)c(Cl)c1 ZINC000459607528 280363318 /nfs/dbraw/zinc/36/33/18/280363318.db2.gz OOHUKPBTXMSFRY-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000411972851 294778938 /nfs/dbraw/zinc/77/89/38/294778938.db2.gz QSKDMKQBDYDTLM-MEBBXXQBSA-N 1 2 294.351 2.594 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000371825459 303019082 /nfs/dbraw/zinc/01/90/82/303019082.db2.gz UWQLAUKFBCIHSP-NSHDSACASA-N 1 2 290.323 2.649 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000371825459 303019085 /nfs/dbraw/zinc/01/90/85/303019085.db2.gz UWQLAUKFBCIHSP-NSHDSACASA-N 1 2 290.323 2.649 20 5 CFBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccon1 ZINC000573458449 322657527 /nfs/dbraw/zinc/65/75/27/322657527.db2.gz SSNDUTHOPNQHOH-TVQRCGJNSA-N 1 2 273.292 2.921 20 5 CFBDLO O=[N+]([O-])c1cccnc1SCc1cn2ccccc2[nH+]1 ZINC000194661725 324092738 /nfs/dbraw/zinc/09/27/38/324092738.db2.gz MLHLONPULUWBMV-UHFFFAOYSA-N 1 2 286.316 2.930 20 5 CFBDLO CCOC1(C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339207875 521635756 /nfs/dbraw/zinc/63/57/56/521635756.db2.gz JMOQPJAYVGHZMH-UHFFFAOYSA-N 1 2 294.351 2.691 20 5 CFBDLO COc1cc(C[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1F ZINC000361632150 522353727 /nfs/dbraw/zinc/35/37/27/522353727.db2.gz OYOHPQZYFZHDMT-UHFFFAOYSA-N 1 2 294.282 2.968 20 5 CFBDLO COc1cc(C[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1F ZINC000361632150 522353736 /nfs/dbraw/zinc/35/37/36/522353736.db2.gz OYOHPQZYFZHDMT-UHFFFAOYSA-N 1 2 294.282 2.968 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000317324345 524793666 /nfs/dbraw/zinc/79/36/66/524793666.db2.gz ORUGAOGFPHAHOH-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000363701161 525933167 /nfs/dbraw/zinc/93/31/67/525933167.db2.gz OIVPCKMGKVQEBX-LBPRGKRZSA-N 1 2 286.335 2.677 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340041075 526014140 /nfs/dbraw/zinc/01/41/40/526014140.db2.gz UEWXDEPQIJYNDS-UHFFFAOYSA-N 1 2 299.330 2.636 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000225315390 527400445 /nfs/dbraw/zinc/40/04/45/527400445.db2.gz CGXMSBVJDIARQX-UHFFFAOYSA-N 1 2 283.740 2.995 20 5 CFBDLO CCC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413372112 527877134 /nfs/dbraw/zinc/87/71/34/527877134.db2.gz XCCHARHEGZPUEL-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO CC(C)[C@H](CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413288382 529023613 /nfs/dbraw/zinc/02/36/13/529023613.db2.gz DISRPHCLNREXPY-LBPRGKRZSA-N 1 2 289.335 2.819 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000754793239 574121011 /nfs/dbraw/zinc/12/10/11/574121011.db2.gz DXVDUXHSELGSEI-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000754859122 574125226 /nfs/dbraw/zinc/12/52/26/574125226.db2.gz VDFKRCDTYAQJBT-RAXLEYEMSA-N 1 2 286.335 2.784 20 5 CFBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000754859122 574125228 /nfs/dbraw/zinc/12/52/28/574125228.db2.gz VDFKRCDTYAQJBT-RAXLEYEMSA-N 1 2 286.335 2.784 20 5 CFBDLO CC(C)[N@@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746033750 574131578 /nfs/dbraw/zinc/13/15/78/574131578.db2.gz WRHIBDISGZHVBC-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC(C)[N@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746033750 574131579 /nfs/dbraw/zinc/13/15/79/574131579.db2.gz WRHIBDISGZHVBC-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC[N@H+](CCC(F)(F)F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000748297224 574245619 /nfs/dbraw/zinc/24/56/19/574245619.db2.gz RRDMISZYYVSLJB-UHFFFAOYSA-N 1 2 294.277 2.640 20 5 CFBDLO CC[N@@H+](CCC(F)(F)F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000748297224 574245623 /nfs/dbraw/zinc/24/56/23/574245623.db2.gz RRDMISZYYVSLJB-UHFFFAOYSA-N 1 2 294.277 2.640 20 5 CFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080406 574347013 /nfs/dbraw/zinc/34/70/13/574347013.db2.gz AGFCOGNNDBAOJO-BXUZGUMPSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000745080406 574347014 /nfs/dbraw/zinc/34/70/14/574347014.db2.gz AGFCOGNNDBAOJO-BXUZGUMPSA-N 1 2 292.335 2.683 20 5 CFBDLO CN(C)c1cc[nH+]c(CNc2sccc2[N+](=O)[O-])c1 ZINC000895465154 618600298 /nfs/dbraw/zinc/60/02/98/618600298.db2.gz ISANFGJBNOKFJF-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1cccc(F)c1[N+](=O)[O-])C2 ZINC000896659490 619782150 /nfs/dbraw/zinc/78/21/50/619782150.db2.gz JLXPXRPXYBSGMD-UHFFFAOYSA-N 1 2 290.298 2.513 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1cc(C)sc1[N+](=O)[O-])C2 ZINC000896654905 619783923 /nfs/dbraw/zinc/78/39/23/619783923.db2.gz QGWLKGZQKBHXRJ-UHFFFAOYSA-N 1 2 292.364 2.744 20 5 CFBDLO CC[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171489367 623224336 /nfs/dbraw/zinc/22/43/36/623224336.db2.gz UJKCPHWFPRFMJY-SNVBAGLBSA-N 1 2 289.291 2.736 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1Cl ZINC000824525518 623516109 /nfs/dbraw/zinc/51/61/09/623516109.db2.gz AVQIJKCWJSVCCF-LLVKDONJSA-N 1 2 292.726 2.679 20 5 CFBDLO Cc1cc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000154787793 624463886 /nfs/dbraw/zinc/46/38/86/624463886.db2.gz CYICRZJGGXHSQV-UHFFFAOYSA-N 1 2 293.229 2.829 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839193757 626531134 /nfs/dbraw/zinc/53/11/34/626531134.db2.gz XQMPYFGWNIEKSY-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839193757 626531135 /nfs/dbraw/zinc/53/11/35/626531135.db2.gz XQMPYFGWNIEKSY-QWRGUYRKSA-N 1 2 284.768 2.938 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000778954475 628341262 /nfs/dbraw/zinc/34/12/62/628341262.db2.gz WZOJUKLBZRPWKB-QWHCGFSZSA-N 1 2 277.368 2.600 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000778954475 628341264 /nfs/dbraw/zinc/34/12/64/628341264.db2.gz WZOJUKLBZRPWKB-QWHCGFSZSA-N 1 2 277.368 2.600 20 5 CFBDLO Cc1nn(C[NH+]2CCC(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000779867518 628415519 /nfs/dbraw/zinc/41/55/19/628415519.db2.gz VBLBNAUEVYGBKL-UHFFFAOYSA-N 1 2 280.372 2.815 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840098649 630891074 /nfs/dbraw/zinc/89/10/74/630891074.db2.gz DXCNKSXSQYRCSW-AWEZNQCLSA-N 1 2 292.314 2.726 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840098649 630891076 /nfs/dbraw/zinc/89/10/76/630891076.db2.gz DXCNKSXSQYRCSW-AWEZNQCLSA-N 1 2 292.314 2.726 20 5 CFBDLO CC(C)CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000120429787 638220190 /nfs/dbraw/zinc/22/01/90/638220190.db2.gz NHULBYUUHZOXMY-UHFFFAOYSA-N 1 2 280.372 2.897 20 5 CFBDLO Cc1c(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC000872050794 641584798 /nfs/dbraw/zinc/58/47/98/641584798.db2.gz FQYSTUJBPGCVFG-SECBINFHSA-N 1 2 292.314 2.627 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000872091005 641624507 /nfs/dbraw/zinc/62/45/07/641624507.db2.gz DWDXTLJLDQLNNU-NXEZZACHSA-N 1 2 292.314 2.879 20 5 CFBDLO Cc1nccnc1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000873189546 642056471 /nfs/dbraw/zinc/05/64/71/642056471.db2.gz PWHDLHZLBNVVJV-SECBINFHSA-N 1 2 278.337 2.606 20 5 CFBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880109295 644535210 /nfs/dbraw/zinc/53/52/10/644535210.db2.gz VTGZTVRCNWTIQI-JTQLQIEISA-N 1 2 290.298 2.683 20 5 CFBDLO Cc1cccc(CCCNc2ccnc(F)c2[N+](=O)[O-])[nH+]1 ZINC000882348770 645288452 /nfs/dbraw/zinc/28/84/52/645288452.db2.gz BPYHDHOHNCFGLZ-UHFFFAOYSA-N 1 2 290.298 2.877 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2ccccc2C1 ZINC000885931256 646772525 /nfs/dbraw/zinc/77/25/25/646772525.db2.gz QVTXYKGUEVLOAI-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2ccccc2C1 ZINC000885931256 646772528 /nfs/dbraw/zinc/77/25/28/646772528.db2.gz QVTXYKGUEVLOAI-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC[N@H+](CCC(F)(F)F)Cc1cccnc1[N+](=O)[O-] ZINC000885979438 646792845 /nfs/dbraw/zinc/79/28/45/646792845.db2.gz CUESYJSHQVRSCO-UHFFFAOYSA-N 1 2 277.246 2.764 20 5 CFBDLO CC[N@@H+](CCC(F)(F)F)Cc1cccnc1[N+](=O)[O-] ZINC000885979438 646792846 /nfs/dbraw/zinc/79/28/46/646792846.db2.gz CUESYJSHQVRSCO-UHFFFAOYSA-N 1 2 277.246 2.764 20 5 CFBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065836 646851983 /nfs/dbraw/zinc/85/19/83/646851983.db2.gz WJQCZVOJSSJKRB-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886065836 646851989 /nfs/dbraw/zinc/85/19/89/646851989.db2.gz WJQCZVOJSSJKRB-LLVKDONJSA-N 1 2 287.319 2.888 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCc2occc2C1 ZINC000886209193 646922047 /nfs/dbraw/zinc/92/20/47/646922047.db2.gz HBTFYXCAZKERPO-UHFFFAOYSA-N 1 2 273.292 2.531 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCCc2occc2C1 ZINC000886209193 646922050 /nfs/dbraw/zinc/92/20/50/646922050.db2.gz HBTFYXCAZKERPO-UHFFFAOYSA-N 1 2 273.292 2.531 20 5 CFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886283780 646952578 /nfs/dbraw/zinc/95/25/78/646952578.db2.gz GYZPROHMZCGJLH-LBPRGKRZSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886283780 646952581 /nfs/dbraw/zinc/95/25/81/646952581.db2.gz GYZPROHMZCGJLH-LBPRGKRZSA-N 1 2 291.351 2.523 20 5 CFBDLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926894028 648648628 /nfs/dbraw/zinc/64/86/28/648648628.db2.gz WLTNAJDXUVWPON-BDAKNGLRSA-N 1 2 276.296 2.698 20 5 CFBDLO CC(C)(C)C(=[NH2+])Nc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155181239 782244294 /nfs/dbraw/zinc/24/42/94/782244294.db2.gz LXRUANXRLQLDFA-UHFFFAOYSA-N 1 2 273.296 2.973 20 5 CFBDLO COc1cc(NCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1C ZINC001167616313 770991834 /nfs/dbraw/zinc/99/18/34/770991834.db2.gz FYGCKSFTCBWDLB-UHFFFAOYSA-N 1 2 288.307 2.501 20 5 CFBDLO Nc1cc(CNc2ccnc3c2cccc3[N+](=O)[O-])cc[nH+]1 ZINC001167617096 770993321 /nfs/dbraw/zinc/99/33/21/770993321.db2.gz VITIKXKBFARDAE-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO O=[N+]([O-])c1c(Br)cccc1-n1cc[nH+]c1 ZINC000309104768 775303842 /nfs/dbraw/zinc/30/38/42/775303842.db2.gz LJCGYYUYCXZZFH-UHFFFAOYSA-N 1 2 268.070 2.543 20 5 CFBDLO CC(C)[NH+]1CC(Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225710196 775570335 /nfs/dbraw/zinc/57/03/35/775570335.db2.gz IPHJGQMVXVBMGO-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO O=[N+]([O-])C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC1 ZINC001231080584 777135585 /nfs/dbraw/zinc/13/55/85/777135585.db2.gz FOCNMEQHXIUVRR-CYBMUJFWSA-N 1 2 273.292 2.511 20 5 CFBDLO C[NH+]1CC(Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231252923 777177345 /nfs/dbraw/zinc/17/73/45/777177345.db2.gz RJWFSKUYDRSCIP-UHFFFAOYSA-N 1 2 284.315 2.955 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1NCCCn1cc[nH+]c1 ZINC000124744697 187151683 /nfs/dbraw/zinc/15/16/83/187151683.db2.gz XASKASWJUCVOHC-UHFFFAOYSA-N 1 2 280.715 2.947 20 5 CFBDLO CC(C)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000595000486 349542940 /nfs/dbraw/zinc/54/29/40/349542940.db2.gz MSWDIRQLJMTWRX-UHFFFAOYSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1noc(C[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595287037 349591394 /nfs/dbraw/zinc/59/13/94/349591394.db2.gz AHQBMCVZMHBKLJ-UHFFFAOYSA-N 1 2 279.271 2.662 20 5 CFBDLO Cc1noc(C[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595287037 349591399 /nfs/dbraw/zinc/59/13/99/349591399.db2.gz AHQBMCVZMHBKLJ-UHFFFAOYSA-N 1 2 279.271 2.662 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595292256 349592733 /nfs/dbraw/zinc/59/27/33/349592733.db2.gz XMVDVRICOWREBL-MRVPVSSYSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595292256 349592736 /nfs/dbraw/zinc/59/27/36/349592736.db2.gz XMVDVRICOWREBL-MRVPVSSYSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[NH2+]C2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000595415195 349618752 /nfs/dbraw/zinc/61/87/52/349618752.db2.gz NJTRPDFBNKLWDX-UHFFFAOYSA-N 1 2 273.292 2.670 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ccncc3[N+](=O)[O-])cn21 ZINC000068772485 346868440 /nfs/dbraw/zinc/86/84/40/346868440.db2.gz ZSKGJYFKKOAZCP-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467583 349635423 /nfs/dbraw/zinc/63/54/23/349635423.db2.gz HXMJFLBWWYBVHS-YUMQZZPRSA-N 1 2 293.245 2.664 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467583 349635427 /nfs/dbraw/zinc/63/54/27/349635427.db2.gz HXMJFLBWWYBVHS-YUMQZZPRSA-N 1 2 293.245 2.664 20 5 CFBDLO CC[C@@H](CCO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413188196 529467361 /nfs/dbraw/zinc/46/73/61/529467361.db2.gz UDGWSTQYIPKXIA-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000595616329 349677363 /nfs/dbraw/zinc/67/73/63/349677363.db2.gz AZTVFSFMNDBCAV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000595616329 349677365 /nfs/dbraw/zinc/67/73/65/349677365.db2.gz AZTVFSFMNDBCAV-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO O=C1CCCC12CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000595809251 349736659 /nfs/dbraw/zinc/73/66/59/349736659.db2.gz YOKZWRSXSVUTMX-UHFFFAOYSA-N 1 2 294.376 2.992 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000294977209 199280041 /nfs/dbraw/zinc/28/00/41/199280041.db2.gz LOZHSJJJCYFXAF-UHFFFAOYSA-N 1 2 288.307 2.626 20 5 CFBDLO CCOc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596543326 349936426 /nfs/dbraw/zinc/93/64/26/349936426.db2.gz RPIBIAXEAHOEDS-JTQLQIEISA-N 1 2 290.323 2.900 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC(C)(C)C ZINC000016419883 346238246 /nfs/dbraw/zinc/23/82/46/346238246.db2.gz ALFQDKWWTNAIRR-LLVKDONJSA-N 1 2 293.367 2.502 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000016419883 346238248 /nfs/dbraw/zinc/23/82/48/346238248.db2.gz ALFQDKWWTNAIRR-LLVKDONJSA-N 1 2 293.367 2.502 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000091859223 347601202 /nfs/dbraw/zinc/60/12/02/347601202.db2.gz LEZNYYTZHDZJGR-NXEZZACHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000091859223 347601204 /nfs/dbraw/zinc/60/12/04/347601204.db2.gz LEZNYYTZHDZJGR-NXEZZACHSA-N 1 2 250.298 2.531 20 5 CFBDLO Cc1cccn2cc(CNc3ncccc3[N+](=O)[O-])[nH+]c12 ZINC000092826024 347648468 /nfs/dbraw/zinc/64/84/68/347648468.db2.gz KUAHKKHHJGSTBD-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO COC1CCC([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093414816 347672914 /nfs/dbraw/zinc/67/29/14/347672914.db2.gz XAZZZTSYZMEDIN-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO COC1CCC([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093414816 347672919 /nfs/dbraw/zinc/67/29/19/347672919.db2.gz XAZZZTSYZMEDIN-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cscn1 ZINC000138784778 347917447 /nfs/dbraw/zinc/91/74/47/347917447.db2.gz HJFIXSYGCHSWLI-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cscn1 ZINC000138784778 347917451 /nfs/dbraw/zinc/91/74/51/347917451.db2.gz HJFIXSYGCHSWLI-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO COc1ccc(NCc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000225895275 348180723 /nfs/dbraw/zinc/18/07/23/348180723.db2.gz DEBAHOKDKCUIIC-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000404049127 348589549 /nfs/dbraw/zinc/58/95/49/348589549.db2.gz IKXIZOLTUGLCHD-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000404049127 348589550 /nfs/dbraw/zinc/58/95/50/348589550.db2.gz IKXIZOLTUGLCHD-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CCC1(C)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590970092 348974917 /nfs/dbraw/zinc/97/49/17/348974917.db2.gz UBPKSQRTQADOHP-UHFFFAOYSA-N 1 2 292.335 2.598 20 5 CFBDLO C[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000593022140 349188770 /nfs/dbraw/zinc/18/87/70/349188770.db2.gz VJNYASIKPNXKJL-NSHDSACASA-N 1 2 286.335 2.588 20 5 CFBDLO CN(C[C@@H]1CCCO1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038788 350362852 /nfs/dbraw/zinc/36/28/52/350362852.db2.gz SJBIWXDDGBFGKB-LBPRGKRZSA-N 1 2 287.319 2.758 20 5 CFBDLO CC[C@@H](CCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599049484 350365707 /nfs/dbraw/zinc/36/57/07/350365707.db2.gz YHIIOWRBFLLVBS-NSHDSACASA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@H]1COCC[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072305 350370795 /nfs/dbraw/zinc/37/07/95/350370795.db2.gz AVKUSUGUTLFWSH-GXFFZTMASA-N 1 2 287.319 2.980 20 5 CFBDLO C/C=C/C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078735 350371582 /nfs/dbraw/zinc/37/15/82/350371582.db2.gz DTJNBIQNILXYFG-RDFMZFSFSA-N 1 2 286.335 2.583 20 5 CFBDLO O=[N+]([O-])c1c(NCCC2(CO)CC2)ccc2c[nH+]ccc21 ZINC000599084765 350373651 /nfs/dbraw/zinc/37/36/51/350373651.db2.gz XNYSDLXYKFFTIK-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)c1 ZINC000599101606 350376096 /nfs/dbraw/zinc/37/60/96/350376096.db2.gz RYOMIHJCRJNUIJ-GFCCVEGCSA-N 1 2 284.319 2.687 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000599102699 350376627 /nfs/dbraw/zinc/37/66/27/350376627.db2.gz SOFZGALECZMOSJ-SNVBAGLBSA-N 1 2 290.348 2.749 20 5 CFBDLO C[C@@]12COC[C@H]1CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599107616 350376769 /nfs/dbraw/zinc/37/67/69/350376769.db2.gz OWUZVEOZXWSFKG-MLGOLLRUSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551772 350454615 /nfs/dbraw/zinc/45/46/15/350454615.db2.gz BCPAJUMYBLLYKQ-UHFFFAOYSA-N 1 2 286.278 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551772 350454621 /nfs/dbraw/zinc/45/46/21/350454621.db2.gz BCPAJUMYBLLYKQ-UHFFFAOYSA-N 1 2 286.278 2.922 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+](C1CC1)C1CC1 ZINC000599600676 350463366 /nfs/dbraw/zinc/46/33/66/350463366.db2.gz WOZWOPZMRNKVNO-UHFFFAOYSA-N 1 2 250.273 2.861 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641613 350471139 /nfs/dbraw/zinc/47/11/39/350471139.db2.gz JFGKUSFVQQPTAU-VXGBXAGGSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCF)C1 ZINC000599641613 350471141 /nfs/dbraw/zinc/47/11/41/350471141.db2.gz JFGKUSFVQQPTAU-VXGBXAGGSA-N 1 2 282.315 2.716 20 5 CFBDLO CC(C)(CNc1ccsc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198408 350694963 /nfs/dbraw/zinc/69/49/63/350694963.db2.gz WZEYSSQVWFJSJW-UHFFFAOYSA-N 1 2 266.326 2.700 20 5 CFBDLO Cn1cc(C[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602434694 350880043 /nfs/dbraw/zinc/88/00/43/350880043.db2.gz QOZDDXREVQOQOL-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC000602434694 350880047 /nfs/dbraw/zinc/88/00/47/350880047.db2.gz QOZDDXREVQOQOL-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768875 351019426 /nfs/dbraw/zinc/01/94/26/351019426.db2.gz ZAPYTUPZPNPPPC-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602768875 351019427 /nfs/dbraw/zinc/01/94/27/351019427.db2.gz ZAPYTUPZPNPPPC-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO Cc1ncc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000602958503 351072646 /nfs/dbraw/zinc/07/26/46/351072646.db2.gz XXDXLPQGILFPCI-LURJTMIESA-N 1 2 282.325 2.507 20 5 CFBDLO Cn1c[nH+]c(CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000603323997 351139469 /nfs/dbraw/zinc/13/94/69/351139469.db2.gz GLMFCOFHRYZGGD-UHFFFAOYSA-N 1 2 263.322 2.762 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623247 351511768 /nfs/dbraw/zinc/51/17/68/351511768.db2.gz YBFHIHWOCWAJIZ-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000609618978 351512199 /nfs/dbraw/zinc/51/21/99/351512199.db2.gz TWKLGLYMIGFKQB-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132937 351486850 /nfs/dbraw/zinc/48/68/50/351486850.db2.gz XBNQTPRXIVEVDO-LBPRGKRZSA-N 1 2 272.308 2.633 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610677425 351591571 /nfs/dbraw/zinc/59/15/71/351591571.db2.gz FOVDDNZGBIKQAL-CYBMUJFWSA-N 1 2 286.335 2.941 20 5 CFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000610726401 351598298 /nfs/dbraw/zinc/59/82/98/351598298.db2.gz BIORGLMFKYYEJS-QWRGUYRKSA-N 1 2 292.364 2.940 20 5 CFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272197 351662289 /nfs/dbraw/zinc/66/22/89/351662289.db2.gz HHLSFNAPYYRVMH-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272197 351662293 /nfs/dbraw/zinc/66/22/93/351662293.db2.gz HHLSFNAPYYRVMH-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO COc1cc(COc2cc[nH+]cc2)c([N+](=O)[O-])cc1F ZINC000431501235 383678895 /nfs/dbraw/zinc/67/88/95/383678895.db2.gz DDLLVLCKQBWZTR-UHFFFAOYSA-N 1 2 278.239 2.717 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000615835176 352247345 /nfs/dbraw/zinc/24/73/45/352247345.db2.gz WZHOOLLSQMLUTC-KPKJPENVSA-N 1 2 298.346 2.780 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000615835176 352247347 /nfs/dbraw/zinc/24/73/47/352247347.db2.gz WZHOOLLSQMLUTC-KPKJPENVSA-N 1 2 298.346 2.780 20 5 CFBDLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000616357151 352334002 /nfs/dbraw/zinc/33/40/02/352334002.db2.gz WGABYDMVFRCOIU-SNVBAGLBSA-N 1 2 274.324 2.786 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1NCCNc1cccc[nH+]1 ZINC000048381285 539934213 /nfs/dbraw/zinc/93/42/13/539934213.db2.gz VQJQRPRQVHUOMY-UHFFFAOYSA-N 1 2 276.271 2.653 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000619531726 353033273 /nfs/dbraw/zinc/03/32/73/353033273.db2.gz SKZGFELQBGSTFH-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157669459 188331850 /nfs/dbraw/zinc/33/18/50/188331850.db2.gz WUIKGCLUUJJYSJ-ZDUSSCGKSA-N 1 2 298.346 2.989 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180430413 189254425 /nfs/dbraw/zinc/25/44/25/189254425.db2.gz DCZNPGMYQPCGRV-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cscn1 ZINC000183302550 189354122 /nfs/dbraw/zinc/35/41/22/189354122.db2.gz LIDGUJCTQDRZAE-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cscn1 ZINC000183302550 189354123 /nfs/dbraw/zinc/35/41/23/189354123.db2.gz LIDGUJCTQDRZAE-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301918261 201263228 /nfs/dbraw/zinc/26/32/28/201263228.db2.gz JPTBROLRKRMGNV-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO Cc1cc(NCCn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000302135334 201358167 /nfs/dbraw/zinc/35/81/67/201358167.db2.gz MCRBCZSFYBMLLC-UHFFFAOYSA-N 1 2 280.715 2.865 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446063640 241267707 /nfs/dbraw/zinc/26/77/07/241267707.db2.gz RQSNFHSVTJVJOL-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446063640 241267714 /nfs/dbraw/zinc/26/77/14/241267714.db2.gz RQSNFHSVTJVJOL-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000038011202 372763335 /nfs/dbraw/zinc/76/33/35/372763335.db2.gz NHMKLASNCUXTSN-CQSZACIVSA-N 1 2 274.324 2.867 20 5 CFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000042316414 372906388 /nfs/dbraw/zinc/90/63/88/372906388.db2.gz JNEKFACLFMPFFA-GFCCVEGCSA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCO1 ZINC000042316414 372906396 /nfs/dbraw/zinc/90/63/96/372906396.db2.gz JNEKFACLFMPFFA-GFCCVEGCSA-N 1 2 284.743 2.859 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000051921926 373418321 /nfs/dbraw/zinc/41/83/21/373418321.db2.gz UJQHDWPWVOXWBP-UHFFFAOYSA-N 1 2 264.260 2.562 20 5 CFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000118418675 376296194 /nfs/dbraw/zinc/29/61/94/376296194.db2.gz ROQQMPKUJKCLLY-BDAKNGLRSA-N 1 2 272.395 2.982 20 5 CFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000118418675 376296199 /nfs/dbraw/zinc/29/61/99/376296199.db2.gz ROQQMPKUJKCLLY-BDAKNGLRSA-N 1 2 272.395 2.982 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000130873875 377625337 /nfs/dbraw/zinc/62/53/37/377625337.db2.gz YRHIDQLHRFNTGR-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000130873875 377625341 /nfs/dbraw/zinc/62/53/41/377625341.db2.gz YRHIDQLHRFNTGR-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131251299 377681787 /nfs/dbraw/zinc/68/17/87/377681787.db2.gz JAGRLZILTBQITN-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131251299 377681794 /nfs/dbraw/zinc/68/17/94/377681794.db2.gz JAGRLZILTBQITN-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000133770722 377955961 /nfs/dbraw/zinc/95/59/61/377955961.db2.gz VXFNDLCEXIVMRE-AWEZNQCLSA-N 1 2 299.330 2.956 20 5 CFBDLO CC1(C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330434794 378555058 /nfs/dbraw/zinc/55/50/58/378555058.db2.gz QBCRWTJOMXGPNT-UHFFFAOYSA-N 1 2 264.325 2.922 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154324671 378557741 /nfs/dbraw/zinc/55/77/41/378557741.db2.gz IELTWPXUZVFKPM-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154324671 378557749 /nfs/dbraw/zinc/55/77/49/378557749.db2.gz IELTWPXUZVFKPM-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330711698 378596296 /nfs/dbraw/zinc/59/62/96/378596296.db2.gz QEWJLJFFGUBPHM-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330711698 378596301 /nfs/dbraw/zinc/59/63/01/378596301.db2.gz QEWJLJFFGUBPHM-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000331046273 378620731 /nfs/dbraw/zinc/62/07/31/378620731.db2.gz GNUUQIWEQBSOOO-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000331046273 378620738 /nfs/dbraw/zinc/62/07/38/378620738.db2.gz GNUUQIWEQBSOOO-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000174843608 379949982 /nfs/dbraw/zinc/94/99/82/379949982.db2.gz LMEHCENCUKMTLX-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000174843608 379949990 /nfs/dbraw/zinc/94/99/90/379949990.db2.gz LMEHCENCUKMTLX-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)n1 ZINC000178267628 380429501 /nfs/dbraw/zinc/42/95/01/380429501.db2.gz UUKUQTLMSOAFSC-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1c[nH+]c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000341262902 380878141 /nfs/dbraw/zinc/87/81/41/380878141.db2.gz RLOZYFUFYQFFPK-UHFFFAOYSA-N 1 2 288.351 2.662 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCSCC2)c(Cl)c1 ZINC000182063653 380981246 /nfs/dbraw/zinc/98/12/46/380981246.db2.gz UFYLTLNRALLJAB-UHFFFAOYSA-N 1 2 272.757 2.797 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3ncccc3C2)c1 ZINC000368343646 380996080 /nfs/dbraw/zinc/99/60/80/380996080.db2.gz ZILKCDIZMLMCID-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3ncccc3C2)c1 ZINC000368343646 380996083 /nfs/dbraw/zinc/99/60/83/380996083.db2.gz ZILKCDIZMLMCID-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc[nH]1 ZINC000354035365 381036007 /nfs/dbraw/zinc/03/60/07/381036007.db2.gz YBAQXHRQCUHTRT-UHFFFAOYSA-N 1 2 251.311 2.616 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc[nH]1 ZINC000354035365 381036011 /nfs/dbraw/zinc/03/60/11/381036011.db2.gz YBAQXHRQCUHTRT-UHFFFAOYSA-N 1 2 251.311 2.616 20 5 CFBDLO COc1cccc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000354112031 381087784 /nfs/dbraw/zinc/08/77/84/381087784.db2.gz YJLKESKNYIQTAZ-UHFFFAOYSA-N 1 2 288.307 2.522 20 5 CFBDLO Cc1nn(Cc2ccc3[nH]c(C)[nH+]c3c2)c(C)c1[N+](=O)[O-] ZINC000358861102 381130062 /nfs/dbraw/zinc/13/00/62/381130062.db2.gz MDUZPASWFCBIQH-UHFFFAOYSA-N 1 2 285.307 2.641 20 5 CFBDLO Cc1nn(Cc2ccc3[nH+]c(C)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000358861102 381130068 /nfs/dbraw/zinc/13/00/68/381130068.db2.gz MDUZPASWFCBIQH-UHFFFAOYSA-N 1 2 285.307 2.641 20 5 CFBDLO Cc1cnn([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000289853399 381189200 /nfs/dbraw/zinc/18/92/00/381189200.db2.gz KUHIAOUCYBOBTI-LBPRGKRZSA-N 1 2 292.364 2.608 20 5 CFBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000289853399 381189208 /nfs/dbraw/zinc/18/92/08/381189208.db2.gz KUHIAOUCYBOBTI-LBPRGKRZSA-N 1 2 292.364 2.608 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCc1ccn2cc[nH+]c2c1 ZINC000354378412 381233985 /nfs/dbraw/zinc/23/39/85/381233985.db2.gz APQQUXSWSKRFNC-UHFFFAOYSA-N 1 2 268.276 2.855 20 5 CFBDLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195067857 270249274 /nfs/dbraw/zinc/24/92/74/270249274.db2.gz CQFSSZZPTRNWPV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195067857 270249276 /nfs/dbraw/zinc/24/92/76/270249276.db2.gz CQFSSZZPTRNWPV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO CCCc1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296520643 381431431 /nfs/dbraw/zinc/43/14/31/381431431.db2.gz CDNKCMGQQALTQM-JTQLQIEISA-N 1 2 290.323 2.781 20 5 CFBDLO Cc1cccc(C(=O)Nc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000355300255 381736513 /nfs/dbraw/zinc/73/65/13/381736513.db2.gz BFJRHHKFNXHMKG-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000355307563 381741740 /nfs/dbraw/zinc/74/17/40/381741740.db2.gz ALPIGZJXIRNLAT-UHFFFAOYSA-N 1 2 297.274 2.565 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000349231281 381855396 /nfs/dbraw/zinc/85/53/96/381855396.db2.gz ACMNSBQPEMHADX-ZJUUUORDSA-N 1 2 261.281 2.995 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000373376458 381990517 /nfs/dbraw/zinc/99/05/17/381990517.db2.gz IMTXVNHSWZHILI-UHFFFAOYSA-N 1 2 294.326 2.736 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000373376458 381990523 /nfs/dbraw/zinc/99/05/23/381990523.db2.gz IMTXVNHSWZHILI-UHFFFAOYSA-N 1 2 294.326 2.736 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293307603 382072337 /nfs/dbraw/zinc/07/23/37/382072337.db2.gz FHSBKACUHMGNLF-DTWKUNHWSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293307603 382072343 /nfs/dbraw/zinc/07/23/43/382072343.db2.gz FHSBKACUHMGNLF-DTWKUNHWSA-N 1 2 297.742 2.527 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970638 382099328 /nfs/dbraw/zinc/09/93/28/382099328.db2.gz GOOYAMXHKCKSCR-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970638 382099333 /nfs/dbraw/zinc/09/93/33/382099333.db2.gz GOOYAMXHKCKSCR-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)nc[nH+]1 ZINC000301274818 382131787 /nfs/dbraw/zinc/13/17/87/382131787.db2.gz WHLKGNYQBWHZRH-UHFFFAOYSA-N 1 2 292.726 2.983 20 5 CFBDLO Cc1[nH+]c2n(c1C)CCN(c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000364186425 382278047 /nfs/dbraw/zinc/27/80/47/382278047.db2.gz IRBYBLWYBXSKAM-UHFFFAOYSA-N 1 2 290.298 2.567 20 5 CFBDLO CC[C@@H](F)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708657 382453916 /nfs/dbraw/zinc/45/39/16/382453916.db2.gz HCAOTECBAWRPOT-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO CC[C@@H](F)C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352708657 382453921 /nfs/dbraw/zinc/45/39/21/382453921.db2.gz HCAOTECBAWRPOT-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000378567082 382484119 /nfs/dbraw/zinc/48/41/19/382484119.db2.gz HUVOLRKSAQZYSX-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000378567082 382484124 /nfs/dbraw/zinc/48/41/24/382484124.db2.gz HUVOLRKSAQZYSX-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000295199706 382581141 /nfs/dbraw/zinc/58/11/41/382581141.db2.gz YLNDBAVJMVWTQZ-GFCCVEGCSA-N 1 2 292.726 2.679 20 5 CFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000192380726 382707992 /nfs/dbraw/zinc/70/79/92/382707992.db2.gz KOCFIWHOKNABTN-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000192380726 382707993 /nfs/dbraw/zinc/70/79/93/382707993.db2.gz KOCFIWHOKNABTN-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000336859327 382736129 /nfs/dbraw/zinc/73/61/29/382736129.db2.gz GTODIQWMUGMEBI-NSHDSACASA-N 1 2 297.318 2.840 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000336859326 382736316 /nfs/dbraw/zinc/73/63/16/382736316.db2.gz GTODIQWMUGMEBI-LLVKDONJSA-N 1 2 297.318 2.840 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c(F)c1 ZINC000578745805 382950343 /nfs/dbraw/zinc/95/03/43/382950343.db2.gz GYGWQIHFZCVFRW-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)c(F)c1 ZINC000578745805 382950346 /nfs/dbraw/zinc/95/03/46/382950346.db2.gz GYGWQIHFZCVFRW-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO COCc1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cs1 ZINC000289753724 197470691 /nfs/dbraw/zinc/47/06/91/197470691.db2.gz IHPQDSACDHKDKD-UHFFFAOYSA-N 1 2 299.377 2.549 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000339062234 383136294 /nfs/dbraw/zinc/13/62/94/383136294.db2.gz XJBJPHMDYYTLLT-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000339062234 383136298 /nfs/dbraw/zinc/13/62/98/383136298.db2.gz XJBJPHMDYYTLLT-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO Cc1cncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000525949206 383411163 /nfs/dbraw/zinc/41/11/63/383411163.db2.gz ZIYDQCWKKCMSBO-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000525949206 383411168 /nfs/dbraw/zinc/41/11/68/383411168.db2.gz ZIYDQCWKKCMSBO-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1cnccc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000340149500 383363105 /nfs/dbraw/zinc/36/31/05/383363105.db2.gz AWAXEZCQYTXXGR-UHFFFAOYSA-N 1 2 299.334 2.905 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000450827388 383507448 /nfs/dbraw/zinc/50/74/48/383507448.db2.gz HQBRVNUXAFISPD-XCBNKYQSSA-N 1 2 293.714 2.958 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000450830433 383509163 /nfs/dbraw/zinc/50/91/63/383509163.db2.gz NWFCSPITFZIYHP-SNVBAGLBSA-N 1 2 260.297 2.984 20 5 CFBDLO Cc1nc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450831726 383510787 /nfs/dbraw/zinc/51/07/87/383510787.db2.gz PVRIHSXDAISEIW-WCBMZHEXSA-N 1 2 273.296 2.613 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cc1F ZINC000431412459 383669443 /nfs/dbraw/zinc/66/94/43/383669443.db2.gz DKUUREIFSUGTAA-UHFFFAOYSA-N 1 2 277.255 2.750 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)c1 ZINC000531433223 383867799 /nfs/dbraw/zinc/86/77/99/383867799.db2.gz BPPLFUQMJGMNRK-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncccn1)CCC2 ZINC000573267361 383901478 /nfs/dbraw/zinc/90/14/78/383901478.db2.gz FUHMPJPCAGRZKV-CQSZACIVSA-N 1 2 284.319 2.552 20 5 CFBDLO COc1cc(C)[nH+]c(COc2ncc(C)cc2[N+](=O)[O-])c1 ZINC000270097442 384975917 /nfs/dbraw/zinc/97/59/17/384975917.db2.gz DTDPJDHPFOQRQW-UHFFFAOYSA-N 1 2 289.291 2.589 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1F ZINC000286245236 385577111 /nfs/dbraw/zinc/57/71/11/385577111.db2.gz RXXUVTRHXRRNFI-CQSZACIVSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1F ZINC000286245236 385577113 /nfs/dbraw/zinc/57/71/13/385577113.db2.gz RXXUVTRHXRRNFI-CQSZACIVSA-N 1 2 290.298 2.794 20 5 CFBDLO COc1cc(C[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1F ZINC000274307010 385762571 /nfs/dbraw/zinc/76/25/71/385762571.db2.gz LGZNEUKIVIKCIJ-UHFFFAOYSA-N 1 2 280.299 2.895 20 5 CFBDLO COc1cc(C[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1F ZINC000274307010 385762578 /nfs/dbraw/zinc/76/25/78/385762578.db2.gz LGZNEUKIVIKCIJ-UHFFFAOYSA-N 1 2 280.299 2.895 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500160 132017763 /nfs/dbraw/zinc/01/77/63/132017763.db2.gz HNRXUBJPXAUUMJ-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500160 132017764 /nfs/dbraw/zinc/01/77/64/132017764.db2.gz HNRXUBJPXAUUMJ-YPMHNXCESA-N 1 2 264.325 2.594 20 5 CFBDLO COc1cccc(C(=O)Nc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000194314163 393688602 /nfs/dbraw/zinc/68/86/02/393688602.db2.gz FJGWLOSDTGCORY-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438374705 394079402 /nfs/dbraw/zinc/07/94/02/394079402.db2.gz LRLFQMSDRIVCCS-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ncsc2C1 ZINC000438374705 394079408 /nfs/dbraw/zinc/07/94/08/394079408.db2.gz LRLFQMSDRIVCCS-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949349 394135712 /nfs/dbraw/zinc/13/57/12/394135712.db2.gz FLHVKNPKOMIYHE-OKILXGFUSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949349 394135713 /nfs/dbraw/zinc/13/57/13/394135713.db2.gz FLHVKNPKOMIYHE-OKILXGFUSA-N 1 2 294.351 2.690 20 5 CFBDLO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000285958639 394172135 /nfs/dbraw/zinc/17/21/35/394172135.db2.gz ADYLGCXHEGBGBC-SNVBAGLBSA-N 1 2 278.287 2.679 20 5 CFBDLO Cc1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535748777 394541876 /nfs/dbraw/zinc/54/18/76/394541876.db2.gz ZPQFZAOOHUYPCZ-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356863092 155398221 /nfs/dbraw/zinc/39/82/21/155398221.db2.gz PYVQMPRXIREPAQ-UHFFFAOYSA-N 1 2 298.249 2.556 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2cncnc2C1 ZINC000332536919 292296328 /nfs/dbraw/zinc/29/63/28/292296328.db2.gz IWVQBAOYEKJSFG-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2cncnc2C1 ZINC000332536919 292296330 /nfs/dbraw/zinc/29/63/30/292296330.db2.gz IWVQBAOYEKJSFG-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccon1 ZINC000351579471 163150342 /nfs/dbraw/zinc/15/03/42/163150342.db2.gz JQYRSBARKTZGEI-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351873575 163208652 /nfs/dbraw/zinc/20/86/52/163208652.db2.gz HDVSWCOELYTACL-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351873575 163208653 /nfs/dbraw/zinc/20/86/53/163208653.db2.gz HDVSWCOELYTACL-AWEZNQCLSA-N 1 2 294.351 2.614 20 5 CFBDLO CC[N@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353282088 163336638 /nfs/dbraw/zinc/33/66/38/163336638.db2.gz FHEROUVJKJKMOS-UHFFFAOYSA-N 1 2 294.351 2.713 20 5 CFBDLO CC[N@@H+](CC(=O)OC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353282088 163336641 /nfs/dbraw/zinc/33/66/41/163336641.db2.gz FHEROUVJKJKMOS-UHFFFAOYSA-N 1 2 294.351 2.713 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000138923616 287052735 /nfs/dbraw/zinc/05/27/35/287052735.db2.gz HIDWNDXEBPEVMZ-ZJUUUORDSA-N 1 2 260.297 2.730 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C(F)(F)F ZINC000341169416 287152103 /nfs/dbraw/zinc/15/21/03/287152103.db2.gz WZOXORTWDZFVBZ-KWQFWETISA-N 1 2 292.257 2.511 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000341169416 287152104 /nfs/dbraw/zinc/15/21/04/287152104.db2.gz WZOXORTWDZFVBZ-KWQFWETISA-N 1 2 292.257 2.511 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)cc[nH+]1 ZINC000010163239 170399330 /nfs/dbraw/zinc/39/93/30/170399330.db2.gz MECKFYCVXPQSHS-UHFFFAOYSA-N 1 2 263.278 2.612 20 5 CFBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000010163248 170399771 /nfs/dbraw/zinc/39/97/71/170399771.db2.gz QNZMRJBOHVMSPZ-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cc1csc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000038090823 174104665 /nfs/dbraw/zinc/10/46/65/174104665.db2.gz BGUWANXPVABTKZ-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO C[C@H]([NH2+]Cc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000041012474 174449795 /nfs/dbraw/zinc/44/97/95/174449795.db2.gz FKFIJNZEHLDRDQ-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCOC1(C)C ZINC000330700231 278044807 /nfs/dbraw/zinc/04/48/07/278044807.db2.gz GSLWFLGFSHWCFH-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCOC1(C)C ZINC000330700231 278044809 /nfs/dbraw/zinc/04/48/09/278044809.db2.gz GSLWFLGFSHWCFH-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2[nH+]ccn21 ZINC000450822942 280014297 /nfs/dbraw/zinc/01/42/97/280014297.db2.gz BMYYXLSUXZEYPY-UFBFGSQYSA-N 1 2 298.306 2.786 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](F)C3)c2c1 ZINC000413294266 280371444 /nfs/dbraw/zinc/37/14/44/280371444.db2.gz ANDPSRYYXJJCCG-JTQLQIEISA-N 1 2 261.256 2.691 20 5 CFBDLO CCc1nn(C)c(NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000396969306 281198705 /nfs/dbraw/zinc/19/87/05/281198705.db2.gz FBQJQHJLDYTBQG-UHFFFAOYSA-N 1 2 289.339 2.515 20 5 CFBDLO COC1(C)C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459580090 281270083 /nfs/dbraw/zinc/27/00/83/281270083.db2.gz JRNKRNMGRVORSA-KPKJPENVSA-N 1 2 276.336 2.719 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccs1)C1CC1 ZINC000355791987 303019064 /nfs/dbraw/zinc/01/90/64/303019064.db2.gz VBDREPDXNQLJKE-UHFFFAOYSA-N 1 2 292.364 2.554 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccs1)C1CC1 ZINC000355791987 303019066 /nfs/dbraw/zinc/01/90/66/303019066.db2.gz VBDREPDXNQLJKE-UHFFFAOYSA-N 1 2 292.364 2.554 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000571482245 322584747 /nfs/dbraw/zinc/58/47/47/322584747.db2.gz URBNBSLWBRZESG-UHFFFAOYSA-N 1 2 288.307 2.522 20 5 CFBDLO O=[N+]([O-])c1cccnc1SCc1c[nH+]c2ccccn12 ZINC000179803084 323759152 /nfs/dbraw/zinc/75/91/52/323759152.db2.gz XVOZQWBXRISDLH-UHFFFAOYSA-N 1 2 286.316 2.930 20 5 CFBDLO C[C@@H](O)C[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230187 533756638 /nfs/dbraw/zinc/75/66/38/533756638.db2.gz ADPUFPMFSQHPIO-VHSXEESVSA-N 1 2 275.308 2.714 20 5 CFBDLO C[C@@H](CO)[C@@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413157172 534143027 /nfs/dbraw/zinc/14/30/27/534143027.db2.gz TXUYDRQETZTPLS-VHSXEESVSA-N 1 2 275.308 2.572 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000049572966 520768671 /nfs/dbraw/zinc/76/86/71/520768671.db2.gz OBSJVBNWJWXWQJ-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000049572966 520768682 /nfs/dbraw/zinc/76/86/82/520768682.db2.gz OBSJVBNWJWXWQJ-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140523399 522783230 /nfs/dbraw/zinc/78/32/30/522783230.db2.gz CHBNTURGLCSTFM-LLVKDONJSA-N 1 2 288.307 2.507 20 5 CFBDLO COc1ccc([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)c1 ZINC000338638239 525452904 /nfs/dbraw/zinc/45/29/04/525452904.db2.gz SMUSFICYFZUPPT-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C3CCC3)c2c1 ZINC000413314933 534885002 /nfs/dbraw/zinc/88/50/02/534885002.db2.gz JKXHLTFJIXPOKT-CQSZACIVSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1cnc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339087003 526159494 /nfs/dbraw/zinc/15/94/94/526159494.db2.gz SDEOABOLKQMAIZ-VIFPVBQESA-N 1 2 293.348 2.916 20 5 CFBDLO O=[N+]([O-])c1cc(F)cc(NCc2cn3ccccc3[nH+]2)c1 ZINC000229549700 527337317 /nfs/dbraw/zinc/33/73/17/527337317.db2.gz YHWZBMSRIFFWHX-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000339196632 527370708 /nfs/dbraw/zinc/37/07/08/527370708.db2.gz ALWWRUQZNLUJCP-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000339196632 527370715 /nfs/dbraw/zinc/37/07/15/527370715.db2.gz ALWWRUQZNLUJCP-LBPRGKRZSA-N 1 2 276.336 2.922 20 5 CFBDLO CC1(C)[C@H](O)C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413253419 527894891 /nfs/dbraw/zinc/89/48/91/527894891.db2.gz UVRIWTKPCPGLJX-CHWSQXEVSA-N 1 2 287.319 2.714 20 5 CFBDLO CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000413279464 528600299 /nfs/dbraw/zinc/60/02/99/528600299.db2.gz GQYREPUXTBDAEN-SNVBAGLBSA-N 1 2 279.275 2.661 20 5 CFBDLO CC[C@@H](O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413169210 529218186 /nfs/dbraw/zinc/21/81/86/529218186.db2.gz XTJLVGHSODFRIA-CYBMUJFWSA-N 1 2 289.335 2.528 20 5 CFBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745089260 574101189 /nfs/dbraw/zinc/10/11/89/574101189.db2.gz QNTICHDBQZIUMJ-LLVKDONJSA-N 1 2 298.364 2.574 20 5 CFBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745089260 574101192 /nfs/dbraw/zinc/10/11/92/574101192.db2.gz QNTICHDBQZIUMJ-LLVKDONJSA-N 1 2 298.364 2.574 20 5 CFBDLO CCC[N@@H+](Cc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746034621 574131697 /nfs/dbraw/zinc/13/16/97/574131697.db2.gz YYVNZHRCJCWNJD-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO CCC[N@H+](Cc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746034621 574131699 /nfs/dbraw/zinc/13/16/99/574131699.db2.gz YYVNZHRCJCWNJD-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000755150279 574142520 /nfs/dbraw/zinc/14/25/20/574142520.db2.gz KNLWEFLATHPMPI-SSDOTTSWSA-N 1 2 296.714 2.790 20 5 CFBDLO Cc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000747215829 574187624 /nfs/dbraw/zinc/18/76/24/574187624.db2.gz DFXLSDIIGDZSFV-CYBMUJFWSA-N 1 2 286.335 2.941 20 5 CFBDLO C[C@]1(C2CC2)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934480049 618051697 /nfs/dbraw/zinc/05/16/97/618051697.db2.gz FQQWDWNZAJKPGX-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@]1(C2CC2)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934480049 618051702 /nfs/dbraw/zinc/05/17/02/618051702.db2.gz FQQWDWNZAJKPGX-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397361 618219329 /nfs/dbraw/zinc/21/93/29/618219329.db2.gz CCPXPPZIANDHNF-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933397361 618219330 /nfs/dbraw/zinc/21/93/30/618219330.db2.gz CCPXPPZIANDHNF-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO CCNc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)cc[nH+]1 ZINC000894871679 619493211 /nfs/dbraw/zinc/49/32/11/619493211.db2.gz VNVJLKUKQZGCNZ-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1c(F)cccc1[N+](=O)[O-])C2 ZINC000896655410 619784087 /nfs/dbraw/zinc/78/40/87/619784087.db2.gz WSARMETUKABYRH-UHFFFAOYSA-N 1 2 290.298 2.513 20 5 CFBDLO COc1cc([C@H](C)[NH2+]Cc2cscn2)cc([N+](=O)[O-])c1 ZINC000903088252 621247863 /nfs/dbraw/zinc/24/78/63/621247863.db2.gz YNPDBXHKKUONDI-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO CC(C)(C)c1cn(Cc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000918474735 624438566 /nfs/dbraw/zinc/43/85/66/624438566.db2.gz NLDGMWKZTWLPTB-UHFFFAOYSA-N 1 2 260.297 2.532 20 5 CFBDLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000921547007 625984230 /nfs/dbraw/zinc/98/42/30/625984230.db2.gz GVWSHBYSXPKAFT-UHFFFAOYSA-N 1 2 294.742 2.824 20 5 CFBDLO CCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073926460 626400377 /nfs/dbraw/zinc/40/03/77/626400377.db2.gz FQRISCDBHPIISF-UHFFFAOYSA-N 1 2 289.291 2.737 20 5 CFBDLO COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839142840 626528748 /nfs/dbraw/zinc/52/87/48/626528748.db2.gz DFUJNSZRUCVJQN-UHFFFAOYSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000839193121 626530968 /nfs/dbraw/zinc/53/09/68/626530968.db2.gz YPXGCHICCKAJMX-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012056 627878794 /nfs/dbraw/zinc/87/87/94/627878794.db2.gz AVJHOAWTHOHORX-RISCZKNCSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012056 627878798 /nfs/dbraw/zinc/87/87/98/627878798.db2.gz AVJHOAWTHOHORX-RISCZKNCSA-N 1 2 292.335 2.683 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000778954474 628341552 /nfs/dbraw/zinc/34/15/52/628341552.db2.gz WZOJUKLBZRPWKB-OLZOCXBDSA-N 1 2 277.368 2.600 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C)[C@H](C)C1 ZINC000778954474 628341557 /nfs/dbraw/zinc/34/15/57/628341557.db2.gz WZOJUKLBZRPWKB-OLZOCXBDSA-N 1 2 277.368 2.600 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(F)(F)CC1 ZINC000796542726 629933182 /nfs/dbraw/zinc/93/31/82/629933182.db2.gz IZFXKJZXFQRFIH-UHFFFAOYSA-N 1 2 286.278 2.835 20 5 CFBDLO CC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000846952486 632856846 /nfs/dbraw/zinc/85/68/46/632856846.db2.gz ZILYZDSHBSJBEZ-UHFFFAOYSA-N 1 2 280.299 2.535 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000859318524 636539811 /nfs/dbraw/zinc/53/98/11/636539811.db2.gz GGHXLBLZIOCKML-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cnccn1 ZINC000876643371 642956486 /nfs/dbraw/zinc/95/64/86/642956486.db2.gz DDPCITYCGIRDHE-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000876643371 642956488 /nfs/dbraw/zinc/95/64/88/642956488.db2.gz DDPCITYCGIRDHE-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000877616824 643402546 /nfs/dbraw/zinc/40/25/46/643402546.db2.gz ODFAEDJUBQQKRD-GFCCVEGCSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000877616824 643402547 /nfs/dbraw/zinc/40/25/47/643402547.db2.gz ODFAEDJUBQQKRD-GFCCVEGCSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000877657652 643437619 /nfs/dbraw/zinc/43/76/19/643437619.db2.gz MFLVIOQZUJWBSK-ZDUSSCGKSA-N 1 2 296.342 2.772 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000877657652 643437622 /nfs/dbraw/zinc/43/76/22/643437622.db2.gz MFLVIOQZUJWBSK-ZDUSSCGKSA-N 1 2 296.342 2.772 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2ncncc2C1 ZINC000880597134 644783053 /nfs/dbraw/zinc/78/30/53/644783053.db2.gz ONZOSZPZJHJZDI-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2ncncc2C1 ZINC000880597134 644783055 /nfs/dbraw/zinc/78/30/55/644783055.db2.gz ONZOSZPZJHJZDI-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO CC(C)c1c[nH]c(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000882898008 645500165 /nfs/dbraw/zinc/50/01/65/645500165.db2.gz YFPMPEMBYIUFRX-UHFFFAOYSA-N 1 2 274.324 2.731 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1ccc([N+](=O)[O-])cc1 ZINC000930594948 649283268 /nfs/dbraw/zinc/28/32/68/649283268.db2.gz QSHCSXQMQSQDHM-QWRGUYRKSA-N 1 2 272.308 2.797 20 5 CFBDLO C[C@H]1CSCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934297739 649769840 /nfs/dbraw/zinc/76/98/40/649769840.db2.gz KOFKPOVBAVQDRI-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO C[C@H]1CSCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000934297739 649769841 /nfs/dbraw/zinc/76/98/41/649769841.db2.gz KOFKPOVBAVQDRI-JTQLQIEISA-N 1 2 282.365 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cc[nH+]cc1)C2 ZINC001225289061 775394254 /nfs/dbraw/zinc/39/42/54/775394254.db2.gz FXFVOKNUWGXLNH-CQSZACIVSA-N 1 2 256.261 2.536 20 5 CFBDLO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620378 775526495 /nfs/dbraw/zinc/52/64/95/775526495.db2.gz PFDIHBLPFBIWJK-LLVKDONJSA-N 1 2 280.324 2.552 20 5 CFBDLO CC(C)[N@H+]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620378 775526504 /nfs/dbraw/zinc/52/65/04/775526504.db2.gz PFDIHBLPFBIWJK-LLVKDONJSA-N 1 2 280.324 2.552 20 5 CFBDLO Cc1cccc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001118130616 781414837 /nfs/dbraw/zinc/41/48/37/781414837.db2.gz FDVOETGFTIMSJB-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1cccc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001118130616 781414839 /nfs/dbraw/zinc/41/48/39/781414839.db2.gz FDVOETGFTIMSJB-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])nc2)c(C)c1 ZINC000594594956 349455565 /nfs/dbraw/zinc/45/55/65/349455565.db2.gz DCLUTOVKXOZOCB-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1c[nH+]c(CCNc2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594597424 349456076 /nfs/dbraw/zinc/45/60/76/349456076.db2.gz TZPCHDYVKLBMPP-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1[nH]c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000594933693 349516615 /nfs/dbraw/zinc/51/66/15/349516615.db2.gz AUKROXMUMKFIKX-UHFFFAOYSA-N 1 2 288.351 2.960 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cscn1 ZINC000595017909 349551873 /nfs/dbraw/zinc/55/18/73/349551873.db2.gz XFKZTSRJRHPDGA-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000595053468 349566597 /nfs/dbraw/zinc/56/65/97/349566597.db2.gz VKAMLABRRPBGEP-VIFPVBQESA-N 1 2 291.307 2.751 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncccn1)CCCC2 ZINC000595099040 349581600 /nfs/dbraw/zinc/58/16/00/349581600.db2.gz PVPWEMBIKDKAAQ-HNNXBMFYSA-N 1 2 298.346 2.942 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000595347396 349607255 /nfs/dbraw/zinc/60/72/55/349607255.db2.gz UFRRUUYQJABMBP-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2ccccn2)c1[N+](=O)[O-] ZINC000595347396 349607257 /nfs/dbraw/zinc/60/72/57/349607257.db2.gz UFRRUUYQJABMBP-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO CCc1cnccc1[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595427607 349622708 /nfs/dbraw/zinc/62/27/08/349622708.db2.gz XZANMJCYMBDCNS-VIFPVBQESA-N 1 2 290.323 2.699 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457156 349632814 /nfs/dbraw/zinc/63/28/14/349632814.db2.gz ANCGPPPAUUUDTJ-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595457156 349632815 /nfs/dbraw/zinc/63/28/15/349632815.db2.gz ANCGPPPAUUUDTJ-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1noc(C[NH2+]C2(c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000595563318 349660455 /nfs/dbraw/zinc/66/04/55/349660455.db2.gz QNCPKNBPTPVPIQ-UHFFFAOYSA-N 1 2 287.319 2.979 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000295040292 199314161 /nfs/dbraw/zinc/31/41/61/199314161.db2.gz SQZOTMBBKLZARN-UHFFFAOYSA-N 1 2 294.286 2.571 20 5 CFBDLO CN(C[C@@H]1CCOC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413171727 529956517 /nfs/dbraw/zinc/95/65/17/529956517.db2.gz NGAUPWHLNYOHJF-NSHDSACASA-N 1 2 287.319 2.616 20 5 CFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(NC2CC2)[nH+]cn1 ZINC000413054929 530004693 /nfs/dbraw/zinc/00/46/93/530004693.db2.gz RTWGSEUPCFKJHE-UHFFFAOYSA-N 1 2 299.334 2.596 20 5 CFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(NC2CC2)nc[nH+]1 ZINC000413054929 530004694 /nfs/dbraw/zinc/00/46/94/530004694.db2.gz RTWGSEUPCFKJHE-UHFFFAOYSA-N 1 2 299.334 2.596 20 5 CFBDLO C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596541410 349935591 /nfs/dbraw/zinc/93/55/91/349935591.db2.gz FUZJCZDBPJRANI-SSDOTTSWSA-N 1 2 281.703 2.550 20 5 CFBDLO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000045752847 346413679 /nfs/dbraw/zinc/41/36/79/346413679.db2.gz ABWNTHIVYGGXQE-FZMZJTMJSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000045752847 346413683 /nfs/dbraw/zinc/41/36/83/346413683.db2.gz ABWNTHIVYGGXQE-FZMZJTMJSA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)s1 ZINC000048999594 346477979 /nfs/dbraw/zinc/47/79/79/346477979.db2.gz OABIBZHDFCEKSH-UHFFFAOYSA-N 1 2 288.332 2.959 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000060296265 346661876 /nfs/dbraw/zinc/66/18/76/346661876.db2.gz DFTNSFJCQDMMFY-UHFFFAOYSA-N 1 2 290.298 2.772 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCNc2cccc[nH+]2)s1 ZINC000064029258 346714078 /nfs/dbraw/zinc/71/40/78/346714078.db2.gz GHMDCXCKDZXPOK-UHFFFAOYSA-N 1 2 264.310 2.575 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066404065 346758070 /nfs/dbraw/zinc/75/80/70/346758070.db2.gz OBWVIGTYQJVCLM-UTUOFQBUSA-N 1 2 264.325 2.765 20 5 CFBDLO CCc1cc(NCCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000078454593 347253824 /nfs/dbraw/zinc/25/38/24/347253824.db2.gz ANKSNSDEINYLAC-UHFFFAOYSA-N 1 2 272.308 2.602 20 5 CFBDLO Cc1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000080531009 347364318 /nfs/dbraw/zinc/36/43/18/347364318.db2.gz QZAZAJRJHQLBQT-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO Cc1nc2[nH]ccc2c(NCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080950216 347387098 /nfs/dbraw/zinc/38/70/98/347387098.db2.gz BXKNOOYWOHGQDI-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000088764103 347509765 /nfs/dbraw/zinc/50/97/65/347509765.db2.gz SSKJXJCLVZPGQT-UHFFFAOYSA-N 1 2 255.277 2.553 20 5 CFBDLO Cc1cccn2cc(CNc3nccc(C)c3[N+](=O)[O-])[nH+]c12 ZINC000091628487 347594302 /nfs/dbraw/zinc/59/43/02/347594302.db2.gz WWQCGJYIVAFZQP-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO Cc1c(C[NH2+]Cc2nccs2)cccc1[N+](=O)[O-] ZINC000217470313 348165167 /nfs/dbraw/zinc/16/51/67/348165167.db2.gz YSFAVQYPYSXBQY-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO O=[N+]([O-])c1cccc(CCNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413214724 233035625 /nfs/dbraw/zinc/03/56/25/233035625.db2.gz WPPTZSJVBKWQDB-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO O=[N+]([O-])c1cccc(CCNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413214724 233035627 /nfs/dbraw/zinc/03/56/27/233035627.db2.gz WPPTZSJVBKWQDB-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000585729239 348741165 /nfs/dbraw/zinc/74/11/65/348741165.db2.gz VROBJWRAALVELN-NSHDSACASA-N 1 2 286.335 2.852 20 5 CFBDLO O=[N+]([O-])c1ccc(CCNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000587434169 348761885 /nfs/dbraw/zinc/76/18/85/348761885.db2.gz NIQQXTFFOPNTFW-UHFFFAOYSA-N 1 2 282.303 2.548 20 5 CFBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1c[nH]c[nH+]1 ZINC000589514074 348836870 /nfs/dbraw/zinc/83/68/70/348836870.db2.gz BIQQPIYGRJRCPY-SNVBAGLBSA-N 1 2 260.297 2.751 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@]4(CCOC4)C3)c2c1 ZINC000591149572 348993330 /nfs/dbraw/zinc/99/33/30/348993330.db2.gz IQVAACZZKZEHSI-INIZCTEOSA-N 1 2 299.330 2.760 20 5 CFBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591157961 348994665 /nfs/dbraw/zinc/99/46/65/348994665.db2.gz UJQTTZUKAZHJJL-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000592156344 349092122 /nfs/dbraw/zinc/09/21/22/349092122.db2.gz KQUDYKOPWVFZHJ-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000592156344 349092126 /nfs/dbraw/zinc/09/21/26/349092126.db2.gz KQUDYKOPWVFZHJ-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061483 349198327 /nfs/dbraw/zinc/19/83/27/349198327.db2.gz CCHIDBPDSJWILT-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061483 349198330 /nfs/dbraw/zinc/19/83/30/349198330.db2.gz CCHIDBPDSJWILT-AAEUAGOBSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593094254 349207675 /nfs/dbraw/zinc/20/76/75/349207675.db2.gz YTOVQFUSAFIHTF-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C2(CCC2)CO1 ZINC000593094254 349207678 /nfs/dbraw/zinc/20/76/78/349207678.db2.gz YTOVQFUSAFIHTF-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000597667832 350122094 /nfs/dbraw/zinc/12/20/94/350122094.db2.gz SCVWUBRKELCCCF-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000597667832 350122097 /nfs/dbraw/zinc/12/20/97/350122097.db2.gz SCVWUBRKELCCCF-UHFFFAOYSA-N 1 2 288.307 2.506 20 5 CFBDLO C[C@@H](CO)[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045471 350364228 /nfs/dbraw/zinc/36/42/28/350364228.db2.gz AYLDLNVZXCWPEM-UWVGGRQHSA-N 1 2 275.308 2.572 20 5 CFBDLO C[C@](O)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599044986 350364564 /nfs/dbraw/zinc/36/45/64/350364564.db2.gz WWMWPEODQDUWBK-HNNXBMFYSA-N 1 2 287.319 2.716 20 5 CFBDLO C/C=C\C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599081459 350372605 /nfs/dbraw/zinc/37/26/05/350372605.db2.gz LITQBEBKXDSXMS-VQTKUKTRSA-N 1 2 286.335 2.583 20 5 CFBDLO CC(C)[C@H](CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085235 350373415 /nfs/dbraw/zinc/37/34/15/350373415.db2.gz NGNLCALABVPCDG-LBPRGKRZSA-N 1 2 289.335 2.819 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)c1 ZINC000599098946 350376034 /nfs/dbraw/zinc/37/60/34/350376034.db2.gz DXJACDRIBBENNB-CYBMUJFWSA-N 1 2 298.346 2.996 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc[nH+]cc1C ZINC000107291548 186166327 /nfs/dbraw/zinc/16/63/27/186166327.db2.gz FIOCOJKROGXPHO-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO COCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600786815 350611589 /nfs/dbraw/zinc/61/15/89/350611589.db2.gz UMUSVFRIIIKWLL-UHFFFAOYSA-N 1 2 287.319 2.527 20 5 CFBDLO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])cc1Cl ZINC000109890430 186277926 /nfs/dbraw/zinc/27/79/26/186277926.db2.gz PNKZFCZPEFBVBR-UHFFFAOYSA-N 1 2 293.666 2.601 20 5 CFBDLO CCOc1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111048477 186347952 /nfs/dbraw/zinc/34/79/52/186347952.db2.gz BSGJIPGFJPZCCJ-NSHDSACASA-N 1 2 290.323 2.691 20 5 CFBDLO CC(C)CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611254207 351658008 /nfs/dbraw/zinc/65/80/08/351658008.db2.gz QLFWYKBXRIGQRN-UHFFFAOYSA-N 1 2 252.314 2.778 20 5 CFBDLO CC(C)CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611254207 351658014 /nfs/dbraw/zinc/65/80/14/351658014.db2.gz QLFWYKBXRIGQRN-UHFFFAOYSA-N 1 2 252.314 2.778 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1sccc1[N+](=O)[O-] ZINC000611411478 351685001 /nfs/dbraw/zinc/68/50/01/351685001.db2.gz FGVQIIBBQSTFIY-UHFFFAOYSA-N 1 2 278.337 2.729 20 5 CFBDLO C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000611413607 351687036 /nfs/dbraw/zinc/68/70/36/351687036.db2.gz HYYYKBSYLTVOIE-CMPLNLGQSA-N 1 2 292.364 2.940 20 5 CFBDLO Cc1c([C@@H](C)[NH2+]Cc2cocn2)cccc1[N+](=O)[O-] ZINC000611474175 351695254 /nfs/dbraw/zinc/69/52/54/351695254.db2.gz IYXRHKPHBQZTKZ-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO C[C@@H](CNc1ccsc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000611370246 351675295 /nfs/dbraw/zinc/67/52/95/351675295.db2.gz MQVQSIWXHTUOGZ-VIFPVBQESA-N 1 2 266.326 2.601 20 5 CFBDLO Cc1nc(C)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000618903851 352908337 /nfs/dbraw/zinc/90/83/37/352908337.db2.gz KZHXJEPNXWQHHQ-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1nc(C)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000618903851 352908339 /nfs/dbraw/zinc/90/83/39/352908339.db2.gz KZHXJEPNXWQHHQ-UHFFFAOYSA-N 1 2 275.308 2.832 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180430434 189254904 /nfs/dbraw/zinc/25/49/04/189254904.db2.gz DCZNPGMYQPCGRV-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nccs1 ZINC000183361060 189356277 /nfs/dbraw/zinc/35/62/77/189356277.db2.gz WLJHBRGCMDRUGT-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nccs1 ZINC000183361060 189356278 /nfs/dbraw/zinc/35/62/78/189356278.db2.gz WLJHBRGCMDRUGT-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc[nH+]1 ZINC000301753572 201176146 /nfs/dbraw/zinc/17/61/46/201176146.db2.gz BZKOBCNUSZDJGX-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000685948492 541456254 /nfs/dbraw/zinc/45/62/54/541456254.db2.gz PJPSOSRHRDDMOU-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000685948492 541456256 /nfs/dbraw/zinc/45/62/56/541456256.db2.gz PJPSOSRHRDDMOU-UHFFFAOYSA-N 1 2 285.141 2.952 20 5 CFBDLO C[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCOC1(C)C ZINC000330700232 203132859 /nfs/dbraw/zinc/13/28/59/203132859.db2.gz GSLWFLGFSHWCFH-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCOC1(C)C ZINC000330700232 203132863 /nfs/dbraw/zinc/13/28/63/203132863.db2.gz GSLWFLGFSHWCFH-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO COC1(c2ccccc2)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459553642 245216178 /nfs/dbraw/zinc/21/61/78/245216178.db2.gz GTOLTOKVOJGILY-UHFFFAOYSA-N 1 2 298.342 2.952 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459773599 245317140 /nfs/dbraw/zinc/31/71/40/245317140.db2.gz CEPFNJBXCFVNCL-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042375589 372916140 /nfs/dbraw/zinc/91/61/40/372916140.db2.gz PWDIBVPOVYFKAA-VIFPVBQESA-N 1 2 280.715 2.945 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245789690 189920790 /nfs/dbraw/zinc/92/07/90/189920790.db2.gz VXROHZMLUUDJDR-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245789690 189920791 /nfs/dbraw/zinc/92/07/91/189920791.db2.gz VXROHZMLUUDJDR-VXGBXAGGSA-N 1 2 264.325 2.512 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076072764 374530379 /nfs/dbraw/zinc/53/03/79/374530379.db2.gz XRBWPVPEZMIJGG-JTQLQIEISA-N 1 2 272.395 2.984 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076072764 374530385 /nfs/dbraw/zinc/53/03/85/374530385.db2.gz XRBWPVPEZMIJGG-JTQLQIEISA-N 1 2 272.395 2.984 20 5 CFBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000090165556 374994957 /nfs/dbraw/zinc/99/49/57/374994957.db2.gz AYXJBKBTBJJSOO-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091980646 375076366 /nfs/dbraw/zinc/07/63/66/375076366.db2.gz FEKCQIISOXYTNL-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091980646 375076375 /nfs/dbraw/zinc/07/63/75/375076375.db2.gz FEKCQIISOXYTNL-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093418016 375233645 /nfs/dbraw/zinc/23/36/45/375233645.db2.gz VXROHZMLUUDJDR-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093418016 375233651 /nfs/dbraw/zinc/23/36/51/375233651.db2.gz VXROHZMLUUDJDR-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2nccs2)cc1[N+](=O)[O-] ZINC000093582303 375267808 /nfs/dbraw/zinc/26/78/08/375267808.db2.gz XJEPCZQOQZXEJM-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2nccs2)cc1[N+](=O)[O-] ZINC000093582303 375267815 /nfs/dbraw/zinc/26/78/15/375267815.db2.gz XJEPCZQOQZXEJM-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774470 375377931 /nfs/dbraw/zinc/37/79/31/375377931.db2.gz CAWPBBHGYQFUBM-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774470 375377933 /nfs/dbraw/zinc/37/79/33/375377933.db2.gz CAWPBBHGYQFUBM-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119514226 376428793 /nfs/dbraw/zinc/42/87/93/376428793.db2.gz VYOZTQDGDWKMOD-GFCCVEGCSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119514226 376428799 /nfs/dbraw/zinc/42/87/99/376428799.db2.gz VYOZTQDGDWKMOD-GFCCVEGCSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000154485579 378571350 /nfs/dbraw/zinc/57/13/50/378571350.db2.gz QAGUARITWOWOIO-UHFFFAOYSA-N 1 2 289.266 2.619 20 5 CFBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331931744 378717768 /nfs/dbraw/zinc/71/77/68/378717768.db2.gz VXTBNVXNWLJWNA-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331931744 378717773 /nfs/dbraw/zinc/71/77/73/378717773.db2.gz VXTBNVXNWLJWNA-SECBINFHSA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172595285 379604655 /nfs/dbraw/zinc/60/46/55/379604655.db2.gz GCCSSNYQVUIYEU-MRVPVSSYSA-N 1 2 258.368 2.594 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172595285 379604667 /nfs/dbraw/zinc/60/46/67/379604667.db2.gz GCCSSNYQVUIYEU-MRVPVSSYSA-N 1 2 258.368 2.594 20 5 CFBDLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000173388161 379733604 /nfs/dbraw/zinc/73/36/04/379733604.db2.gz XRSFYGLCLRTCEM-SECBINFHSA-N 1 2 288.307 2.706 20 5 CFBDLO Cc1ccc2[nH+]c(COc3ncc(C)cc3[N+](=O)[O-])cn2c1 ZINC000175136791 380002819 /nfs/dbraw/zinc/00/28/19/380002819.db2.gz JVLNXUQPOLMUNN-UHFFFAOYSA-N 1 2 298.302 2.833 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000341593193 381111254 /nfs/dbraw/zinc/11/12/54/381111254.db2.gz ZADQYUJKRHZPHC-VHSXEESVSA-N 1 2 290.323 2.952 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000342295099 381256015 /nfs/dbraw/zinc/25/60/15/381256015.db2.gz HZNVLVMIEANSBF-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)n1 ZINC000359091322 381260177 /nfs/dbraw/zinc/26/01/77/381260177.db2.gz HMDZMHVOPCZFIT-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290888009 381586406 /nfs/dbraw/zinc/58/64/06/381586406.db2.gz CMVSAAGVEFUDAM-SNVBAGLBSA-N 1 2 278.287 2.739 20 5 CFBDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925706 381768469 /nfs/dbraw/zinc/76/84/69/381768469.db2.gz DTSJSSMEAFUHKS-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925706 381768478 /nfs/dbraw/zinc/76/84/78/381768478.db2.gz DTSJSSMEAFUHKS-JTQLQIEISA-N 1 2 292.314 2.660 20 5 CFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])cn1 ZINC000292639739 381814401 /nfs/dbraw/zinc/81/44/01/381814401.db2.gz LKISEZIWEYLFFJ-UHFFFAOYSA-N 1 2 260.297 2.666 20 5 CFBDLO Cc1cnc(OCc2ccc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000186627344 381970170 /nfs/dbraw/zinc/97/01/70/381970170.db2.gz WOKHETVSRBJAQO-UHFFFAOYSA-N 1 2 273.292 2.889 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CF ZINC000293084509 381982663 /nfs/dbraw/zinc/98/26/63/381982663.db2.gz PCOLLYIFNPDNEV-CYBMUJFWSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CF ZINC000293084509 381982665 /nfs/dbraw/zinc/98/26/65/381982665.db2.gz PCOLLYIFNPDNEV-CYBMUJFWSA-N 1 2 282.315 2.927 20 5 CFBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000357589873 382240954 /nfs/dbraw/zinc/24/09/54/382240954.db2.gz BKTDIUXVZMZQOW-UHFFFAOYSA-N 1 2 298.249 2.542 20 5 CFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352233905 382242562 /nfs/dbraw/zinc/24/25/62/382242562.db2.gz ZXCAIIRLSFTYDX-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352233905 382242567 /nfs/dbraw/zinc/24/25/67/382242567.db2.gz ZXCAIIRLSFTYDX-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1nccn1C ZINC000352780310 382470570 /nfs/dbraw/zinc/47/05/70/382470570.db2.gz TVPYGGBRHPIRHH-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1nccn1C ZINC000352780310 382470576 /nfs/dbraw/zinc/47/05/76/382470576.db2.gz TVPYGGBRHPIRHH-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1[nH+]ccn1C ZINC000352780310 382470583 /nfs/dbraw/zinc/47/05/83/382470583.db2.gz TVPYGGBRHPIRHH-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1cc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421558137 382579550 /nfs/dbraw/zinc/57/95/50/382579550.db2.gz MKJQWZAPCFOCDK-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1cc(NC2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000337316153 382800030 /nfs/dbraw/zinc/80/00/30/382800030.db2.gz DEVDCERCJQJODA-UHFFFAOYSA-N 1 2 284.319 2.747 20 5 CFBDLO Cc1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000579258743 382998762 /nfs/dbraw/zinc/99/87/62/382998762.db2.gz YBVRIRLFFGCDOF-NSHDSACASA-N 1 2 290.348 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000339060098 383135881 /nfs/dbraw/zinc/13/58/81/383135881.db2.gz SPIADOKBYACCAI-NSHDSACASA-N 1 2 262.309 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000339060098 383135885 /nfs/dbraw/zinc/13/58/85/383135885.db2.gz SPIADOKBYACCAI-NSHDSACASA-N 1 2 262.309 2.532 20 5 CFBDLO COc1ccc(CNc2[nH+]cccc2OC)cc1[N+](=O)[O-] ZINC000611199190 383136008 /nfs/dbraw/zinc/13/60/08/383136008.db2.gz HBPJOFYUGWCKOA-UHFFFAOYSA-N 1 2 289.291 2.619 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247704522 383193027 /nfs/dbraw/zinc/19/30/27/383193027.db2.gz RQQHDFKSHJBTMS-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000247704522 383193029 /nfs/dbraw/zinc/19/30/29/383193029.db2.gz RQQHDFKSHJBTMS-RISCZKNCSA-N 1 2 264.325 2.594 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](F)C1 ZINC000449387199 383254958 /nfs/dbraw/zinc/25/49/58/383254958.db2.gz KVWDYOLJBKNBOL-OGOUPESXSA-N 1 2 250.273 2.652 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](F)C1 ZINC000449387199 383254962 /nfs/dbraw/zinc/25/49/62/383254962.db2.gz KVWDYOLJBKNBOL-OGOUPESXSA-N 1 2 250.273 2.652 20 5 CFBDLO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1COC1 ZINC000449424975 383284571 /nfs/dbraw/zinc/28/45/71/383284571.db2.gz LIJRDQPCSYPHCV-UHFFFAOYSA-N 1 2 278.352 2.939 20 5 CFBDLO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1COC1 ZINC000449424975 383284577 /nfs/dbraw/zinc/28/45/77/383284577.db2.gz LIJRDQPCSYPHCV-UHFFFAOYSA-N 1 2 278.352 2.939 20 5 CFBDLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000428454447 383476288 /nfs/dbraw/zinc/47/62/88/383476288.db2.gz AYDHMBLQUUEJEE-LBPRGKRZSA-N 1 2 286.335 2.886 20 5 CFBDLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000428454447 383476293 /nfs/dbraw/zinc/47/62/93/383476293.db2.gz AYDHMBLQUUEJEE-LBPRGKRZSA-N 1 2 286.335 2.886 20 5 CFBDLO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255632762 383485338 /nfs/dbraw/zinc/48/53/38/383485338.db2.gz AXEFDWSDDWZFFN-BRLPQQTGSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255632762 383485342 /nfs/dbraw/zinc/48/53/42/383485342.db2.gz AXEFDWSDDWZFFN-BRLPQQTGSA-N 1 2 276.336 2.719 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000450823045 383505076 /nfs/dbraw/zinc/50/50/76/383505076.db2.gz BUGSLDXFWIWIMC-JTQLQIEISA-N 1 2 275.312 2.688 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccccc1[N+](=O)[O-] ZINC000431479805 383676479 /nfs/dbraw/zinc/67/64/79/383676479.db2.gz XVVMFKPUGMTQPW-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO Cc1c[nH+]c(C)nc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000571060159 383663048 /nfs/dbraw/zinc/66/30/48/383663048.db2.gz AOGNWJSBCCRINW-UHFFFAOYSA-N 1 2 284.319 2.564 20 5 CFBDLO Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000532391443 384023127 /nfs/dbraw/zinc/02/31/27/384023127.db2.gz FULZMDPUQWBTGX-UHFFFAOYSA-N 1 2 286.291 2.562 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000267017877 384279609 /nfs/dbraw/zinc/27/96/09/384279609.db2.gz JSMBQHUVYUUVPX-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000267017877 384279615 /nfs/dbraw/zinc/27/96/15/384279615.db2.gz JSMBQHUVYUUVPX-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C2CC2)O1 ZINC000279382846 384619978 /nfs/dbraw/zinc/61/99/78/384619978.db2.gz SXBVOTRRNDVWMF-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C2CC2)O1 ZINC000279382846 384619984 /nfs/dbraw/zinc/61/99/84/384619984.db2.gz SXBVOTRRNDVWMF-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000269601655 384800064 /nfs/dbraw/zinc/80/00/64/384800064.db2.gz AQUQCNRDKGDPNE-SECBINFHSA-N 1 2 296.277 2.818 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000429712793 285137507 /nfs/dbraw/zinc/13/75/07/285137507.db2.gz CFBDHKVUNQDHTK-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2ccccc2C1 ZINC000429712793 285137508 /nfs/dbraw/zinc/13/75/08/285137508.db2.gz CFBDHKVUNQDHTK-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269891993 384896568 /nfs/dbraw/zinc/89/65/68/384896568.db2.gz WGDKQBJZAFJVEB-ZDUSSCGKSA-N 1 2 298.346 2.989 20 5 CFBDLO Cc1cccc(CCNc2nccc(C)c2[N+](=O)[O-])[nH+]1 ZINC000280150885 384906013 /nfs/dbraw/zinc/90/60/13/384906013.db2.gz CJRRXRWRSIQXCJ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO CC1=CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270372997 385076587 /nfs/dbraw/zinc/07/65/87/385076587.db2.gz UOQNLQDRGSBJTQ-GFCCVEGCSA-N 1 2 289.335 2.574 20 5 CFBDLO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270372997 385076595 /nfs/dbraw/zinc/07/65/95/385076595.db2.gz UOQNLQDRGSBJTQ-GFCCVEGCSA-N 1 2 289.335 2.574 20 5 CFBDLO Cc1cccc(CCCNc2ncccc2[N+](=O)[O-])[nH+]1 ZINC000286650117 385677300 /nfs/dbraw/zinc/67/73/00/385677300.db2.gz UOBVFOYNNOADAT-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccco2)c(F)c1 ZINC000274424554 385795132 /nfs/dbraw/zinc/79/51/32/385795132.db2.gz QZBLJFRFKDXJKC-CYBMUJFWSA-N 1 2 294.282 2.540 20 5 CFBDLO CCOc1cc(C[NH+]2[C@@H](C)COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276990812 386100673 /nfs/dbraw/zinc/10/06/73/386100673.db2.gz ZZVZNKFUSKEVBL-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000276910470 386077393 /nfs/dbraw/zinc/07/73/93/386077393.db2.gz NGAJURBMZIBGPK-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000276910470 386077399 /nfs/dbraw/zinc/07/73/99/386077399.db2.gz NGAJURBMZIBGPK-UHFFFAOYSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944913 386086634 /nfs/dbraw/zinc/08/66/34/386086634.db2.gz STEQEBCFGZFDFH-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944913 386086640 /nfs/dbraw/zinc/08/66/40/386086640.db2.gz STEQEBCFGZFDFH-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO CCc1nn(C)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179694427 393469541 /nfs/dbraw/zinc/46/95/41/393469541.db2.gz QUNCOFHOQYWSNJ-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO CCc1nn(C)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179694427 393469547 /nfs/dbraw/zinc/46/95/47/393469547.db2.gz QUNCOFHOQYWSNJ-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000192380730 393622470 /nfs/dbraw/zinc/62/24/70/393622470.db2.gz KOCFIWHOKNABTN-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000192380730 393622474 /nfs/dbraw/zinc/62/24/74/393622474.db2.gz KOCFIWHOKNABTN-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO CC1(C)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338960358 393807504 /nfs/dbraw/zinc/80/75/04/393807504.db2.gz FTACJYACWFHMMH-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO CC1(C)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338960358 393807514 /nfs/dbraw/zinc/80/75/14/393807514.db2.gz FTACJYACWFHMMH-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000424323366 393828599 /nfs/dbraw/zinc/82/85/99/393828599.db2.gz MANHBXPJYPFNBX-KBPBESRZSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000121712523 393959283 /nfs/dbraw/zinc/95/92/83/393959283.db2.gz VZUJMZKXFGUYND-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)NC(C)(C)C ZINC000487536087 394009390 /nfs/dbraw/zinc/00/93/90/394009390.db2.gz JZVBHJANIWJRCA-LLVKDONJSA-N 1 2 293.367 2.502 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)NC(C)(C)C ZINC000487536087 394009395 /nfs/dbraw/zinc/00/93/95/394009395.db2.gz JZVBHJANIWJRCA-LLVKDONJSA-N 1 2 293.367 2.502 20 5 CFBDLO Cn1c[nH+]c2cc(Nc3ccc([N+](=O)[O-])cn3)ccc21 ZINC000439704628 394127971 /nfs/dbraw/zinc/12/79/71/394127971.db2.gz KWQDPBBJZWGVFX-UHFFFAOYSA-N 1 2 269.264 2.620 20 5 CFBDLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000154884957 394304390 /nfs/dbraw/zinc/30/43/90/394304390.db2.gz AMCLWMVQPWPXPD-SNVBAGLBSA-N 1 2 275.283 2.980 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2[nH+]ccn21 ZINC000450822940 394340731 /nfs/dbraw/zinc/34/07/31/394340731.db2.gz BMYYXLSUXZEYPY-PRHODGIISA-N 1 2 298.306 2.786 20 5 CFBDLO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000535749187 394541852 /nfs/dbraw/zinc/54/18/52/394541852.db2.gz QKJOQSKLXGEVOT-UHFFFAOYSA-N 1 2 299.330 2.518 20 5 CFBDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000548754422 394951473 /nfs/dbraw/zinc/95/14/73/394951473.db2.gz IIOHSWDCNAODEC-RKDXNWHRSA-N 1 2 297.742 2.669 20 5 CFBDLO Cc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000345639787 154228753 /nfs/dbraw/zinc/22/87/53/154228753.db2.gz LZKQKKHBEJFXEV-UHFFFAOYSA-N 1 2 288.307 2.543 20 5 CFBDLO Cc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000345639787 154228755 /nfs/dbraw/zinc/22/87/55/154228755.db2.gz LZKQKKHBEJFXEV-UHFFFAOYSA-N 1 2 288.307 2.543 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000345695466 154242744 /nfs/dbraw/zinc/24/27/44/154242744.db2.gz PUWKDJUMCFNSFY-AWEZNQCLSA-N 1 2 299.330 2.956 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348238750 154374553 /nfs/dbraw/zinc/37/45/53/154374553.db2.gz ZGGXAOFNVUOWKB-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000348238750 154374556 /nfs/dbraw/zinc/37/45/56/154374556.db2.gz ZGGXAOFNVUOWKB-BONVTDFDSA-N 1 2 294.326 2.733 20 5 CFBDLO CC(C)c1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000344638906 162087591 /nfs/dbraw/zinc/08/75/91/162087591.db2.gz JMIPUQJZFCCUOY-UHFFFAOYSA-N 1 2 292.364 2.860 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc[nH]n1 ZINC000350039058 163051366 /nfs/dbraw/zinc/05/13/66/163051366.db2.gz WYRLIMHBMKFUNX-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000350039058 163051369 /nfs/dbraw/zinc/05/13/69/163051369.db2.gz WYRLIMHBMKFUNX-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000353036706 163293662 /nfs/dbraw/zinc/29/36/62/163293662.db2.gz HNJLNDSZQMUOSZ-GFCCVEGCSA-N 1 2 292.364 2.631 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1NCCNc1cccc[nH+]1 ZINC000353450493 163368263 /nfs/dbraw/zinc/36/82/63/163368263.db2.gz UNRFIAYPEPNHGP-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000010162997 170399828 /nfs/dbraw/zinc/39/98/28/170399828.db2.gz UXSXDQZDPZGYFG-UHFFFAOYSA-N 1 2 257.249 2.551 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCSCC2)c(F)c1 ZINC000285699540 196370551 /nfs/dbraw/zinc/37/05/51/196370551.db2.gz ROFXATYIPIOAJP-UHFFFAOYSA-N 1 2 288.319 2.812 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCSCC2)c(F)c1 ZINC000285699540 196370553 /nfs/dbraw/zinc/37/05/53/196370553.db2.gz ROFXATYIPIOAJP-UHFFFAOYSA-N 1 2 288.319 2.812 20 5 CFBDLO C[C@H]([NH2+]Cc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000041012436 174450053 /nfs/dbraw/zinc/45/00/53/174450053.db2.gz HTTNCAXXPIEENA-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000447824659 277260499 /nfs/dbraw/zinc/26/04/99/277260499.db2.gz AGXQKZBQTVEALK-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000447824659 277260500 /nfs/dbraw/zinc/26/05/00/277260500.db2.gz AGXQKZBQTVEALK-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO C[C@H](c1ccccn1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352673692 278313263 /nfs/dbraw/zinc/31/32/63/278313263.db2.gz ASLAEDVWIUMYNM-GFCCVEGCSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@H](c1ccccn1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352673692 278313265 /nfs/dbraw/zinc/31/32/65/278313265.db2.gz ASLAEDVWIUMYNM-GFCCVEGCSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@H](C)O1 ZINC000438364404 288214511 /nfs/dbraw/zinc/21/45/11/288214511.db2.gz NVJMUTZHAQVUNY-VWYCJHECSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@H](C)O1 ZINC000438364404 288214513 /nfs/dbraw/zinc/21/45/13/288214513.db2.gz NVJMUTZHAQVUNY-VWYCJHECSA-N 1 2 282.315 2.732 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000107289926 280587115 /nfs/dbraw/zinc/58/71/15/280587115.db2.gz MNXDMNMOWFZILU-AATRIKPKSA-N 1 2 283.287 2.950 20 5 CFBDLO CN(Cc1[nH+]ccn1C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119560631 280608287 /nfs/dbraw/zinc/60/82/87/280608287.db2.gz CKDBOLZSNVPJKD-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000230686717 280938323 /nfs/dbraw/zinc/93/83/23/280938323.db2.gz UQJQKAGLAULKNI-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430238756 281232622 /nfs/dbraw/zinc/23/26/22/281232622.db2.gz RFEJYNQGWFSDAN-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000430238756 281232623 /nfs/dbraw/zinc/23/26/23/281232623.db2.gz RFEJYNQGWFSDAN-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000371703212 281546156 /nfs/dbraw/zinc/54/61/56/281546156.db2.gz JRRFGISUCHBYJH-UHFFFAOYSA-N 1 2 292.726 2.773 20 5 CFBDLO Cc1nc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450831725 281981123 /nfs/dbraw/zinc/98/11/23/281981123.db2.gz PVRIHSXDAISEIW-SCZZXKLOSA-N 1 2 273.296 2.613 20 5 CFBDLO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000565434974 290301796 /nfs/dbraw/zinc/30/17/96/290301796.db2.gz ZGEYBKJQBLSMRL-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO O=C1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000565434974 290301800 /nfs/dbraw/zinc/30/18/00/290301800.db2.gz ZGEYBKJQBLSMRL-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO CN(C)c1ccc(NCc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000150899100 522235663 /nfs/dbraw/zinc/23/56/63/522235663.db2.gz QVUVCFLTDUPBKS-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO C[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000311694990 523436109 /nfs/dbraw/zinc/43/61/09/523436109.db2.gz LKNIAVUCGTURQC-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO C[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000311694990 523436116 /nfs/dbraw/zinc/43/61/16/523436116.db2.gz LKNIAVUCGTURQC-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000360986133 524393783 /nfs/dbraw/zinc/39/37/83/524393783.db2.gz ZKOIUWZSBFRGOG-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000360986133 524393789 /nfs/dbraw/zinc/39/37/89/524393789.db2.gz ZKOIUWZSBFRGOG-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO CSCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000151142162 525495586 /nfs/dbraw/zinc/49/55/86/525495586.db2.gz HCCJNPXYUMBCSC-UHFFFAOYSA-N 1 2 258.318 2.529 20 5 CFBDLO CSCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000151142162 525495595 /nfs/dbraw/zinc/49/55/95/525495595.db2.gz HCCJNPXYUMBCSC-UHFFFAOYSA-N 1 2 258.318 2.529 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3(CO)CC3)c2c1 ZINC000413309897 534884765 /nfs/dbraw/zinc/88/47/65/534884765.db2.gz BZNLNIOPWBCXDY-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CCCO3)c2c1 ZINC000413023014 534884900 /nfs/dbraw/zinc/88/49/00/534884900.db2.gz HRXMZCKQPXCBNT-LBPRGKRZSA-N 1 2 273.292 2.734 20 5 CFBDLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000049240935 526649133 /nfs/dbraw/zinc/64/91/33/526649133.db2.gz YNWBKPKFMHGYBT-RKDXNWHRSA-N 1 2 276.296 2.698 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccncc1)CC2 ZINC000156804410 527378619 /nfs/dbraw/zinc/37/86/19/527378619.db2.gz FSISAHPOSRCUMN-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccncc1)CC2 ZINC000156804410 527378623 /nfs/dbraw/zinc/37/86/23/527378623.db2.gz FSISAHPOSRCUMN-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC(C)[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413145060 527967395 /nfs/dbraw/zinc/96/73/95/527967395.db2.gz NDHIKDWFDQKHRC-OAHLLOKOSA-N 1 2 289.335 2.962 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500156 535844129 /nfs/dbraw/zinc/84/41/29/535844129.db2.gz HNRXUBJPXAUUMJ-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268500156 535844133 /nfs/dbraw/zinc/84/41/33/535844133.db2.gz HNRXUBJPXAUUMJ-WCQYABFASA-N 1 2 264.325 2.594 20 5 CFBDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000747822154 574214491 /nfs/dbraw/zinc/21/44/91/574214491.db2.gz ZJXIKUHOCYMDEO-UHFFFAOYSA-N 1 2 289.266 2.781 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000050015625 618060727 /nfs/dbraw/zinc/06/07/27/618060727.db2.gz DDMBYRSGHLVQEZ-UHFFFAOYSA-N 1 2 293.304 2.854 20 5 CFBDLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000892622971 618658498 /nfs/dbraw/zinc/65/84/98/618658498.db2.gz SJJJOHWUAUUMOH-LLVKDONJSA-N 1 2 286.335 2.977 20 5 CFBDLO C[NH+](C)Cc1csc(CNc2sccc2[N+](=O)[O-])n1 ZINC000895484194 619541698 /nfs/dbraw/zinc/54/16/98/619541698.db2.gz GHILKMUUSOTMOP-UHFFFAOYSA-N 1 2 298.393 2.787 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000902680706 621147204 /nfs/dbraw/zinc/14/72/04/621147204.db2.gz RFJFICKMDJUSHI-CYBMUJFWSA-N 1 2 292.335 2.681 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000902680706 621147207 /nfs/dbraw/zinc/14/72/07/621147207.db2.gz RFJFICKMDJUSHI-CYBMUJFWSA-N 1 2 292.335 2.681 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000822790539 623175409 /nfs/dbraw/zinc/17/54/09/623175409.db2.gz HZRBHIIBBLKYCT-GZMMTYOYSA-N 1 2 297.152 2.952 20 5 CFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000822790539 623175415 /nfs/dbraw/zinc/17/54/15/623175415.db2.gz HZRBHIIBBLKYCT-GZMMTYOYSA-N 1 2 297.152 2.952 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2cccc(C)c2)c(C)c1[N+](=O)[O-] ZINC000917482594 624346387 /nfs/dbraw/zinc/34/63/87/624346387.db2.gz KHUPJQSZEBYLDZ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2cccc(C)c2)c(C)c1[N+](=O)[O-] ZINC000917482594 624346390 /nfs/dbraw/zinc/34/63/90/624346390.db2.gz KHUPJQSZEBYLDZ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO CCc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)co1 ZINC000834898945 625914636 /nfs/dbraw/zinc/91/46/36/625914636.db2.gz COPVKYOULQHIEG-SNVBAGLBSA-N 1 2 275.308 2.996 20 5 CFBDLO CN(C)c1cc(CN2CCc3c2cccc3[N+](=O)[O-])cc[nH+]1 ZINC000759848868 626696292 /nfs/dbraw/zinc/69/62/92/626696292.db2.gz KNBDRXGIINFJIA-UHFFFAOYSA-N 1 2 298.346 2.619 20 5 CFBDLO Cc1c(OCc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000782112443 628605756 /nfs/dbraw/zinc/60/57/56/628605756.db2.gz QXJDKDMGWORFCU-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000815136083 632214063 /nfs/dbraw/zinc/21/40/63/632214063.db2.gz YGXRDUHDPXAGBV-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000859230922 636516726 /nfs/dbraw/zinc/51/67/26/636516726.db2.gz NXHIMORFTIDHFU-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000865787133 638573966 /nfs/dbraw/zinc/57/39/66/638573966.db2.gz IOTLTLYXKAZBGI-UHFFFAOYSA-N 1 2 274.324 2.533 20 5 CFBDLO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000873186497 642054539 /nfs/dbraw/zinc/05/45/39/642054539.db2.gz BTSBMMSXYPYUBF-JTQLQIEISA-N 1 2 290.298 2.683 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000879188857 644170398 /nfs/dbraw/zinc/17/03/98/644170398.db2.gz QYZHXRDQMKUMHA-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000879188857 644170403 /nfs/dbraw/zinc/17/04/03/644170403.db2.gz QYZHXRDQMKUMHA-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000930207594 649206338 /nfs/dbraw/zinc/20/63/38/649206338.db2.gz BFRMQTSUFKYEOD-MNOVXSKESA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1ccc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000931467508 649434581 /nfs/dbraw/zinc/43/45/81/649434581.db2.gz OILJUDIYWMEYAQ-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000931467508 649434585 /nfs/dbraw/zinc/43/45/85/649434585.db2.gz OILJUDIYWMEYAQ-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO O=C(c1ccccc1Cl)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000934419247 649784822 /nfs/dbraw/zinc/78/48/22/649784822.db2.gz YIKXZWYACRRDKK-UHFFFAOYSA-N 1 2 296.754 2.511 20 5 CFBDLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc([N+](=O)[O-])c1F ZINC001210379594 770274754 /nfs/dbraw/zinc/27/47/54/770274754.db2.gz DHAQGDLWYGPTRF-UHFFFAOYSA-N 1 2 286.266 2.963 20 5 CFBDLO Nc1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)cc[nH+]1 ZINC001167617573 770995469 /nfs/dbraw/zinc/99/54/69/770995469.db2.gz PURRNQJHKOITBY-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)ccc1Cl ZINC000690779848 775344173 /nfs/dbraw/zinc/34/41/73/775344173.db2.gz ORPBZQPNSIAOMH-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)ccc1Cl ZINC000690779848 775344181 /nfs/dbraw/zinc/34/41/81/775344181.db2.gz ORPBZQPNSIAOMH-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226266472 775761982 /nfs/dbraw/zinc/76/19/82/775761982.db2.gz UHNCYKBNAUUIGB-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001228610695 776538635 /nfs/dbraw/zinc/53/86/35/776538635.db2.gz YAIYJVKGMORAOI-UHFFFAOYSA-N 1 2 286.278 2.735 20 5 CFBDLO CC[NH+]1CC(Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228738941 776591712 /nfs/dbraw/zinc/59/17/12/776591712.db2.gz UIWDBTXIVSHQKL-UHFFFAOYSA-N 1 2 279.343 2.866 20 5 CFBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228755959 776599321 /nfs/dbraw/zinc/59/93/21/776599321.db2.gz LBELGZYKEHWRMW-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)C1 ZINC001233750112 778062937 /nfs/dbraw/zinc/06/29/37/778062937.db2.gz IQDGNCKLJQBYBQ-UHFFFAOYSA-N 1 2 286.278 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(F)c1 ZINC001168309925 778421625 /nfs/dbraw/zinc/42/16/25/778421625.db2.gz QEMFKXVCNGABRR-MNOVXSKESA-N 1 2 286.253 2.821 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(F)c1 ZINC001168309925 778421632 /nfs/dbraw/zinc/42/16/32/778421632.db2.gz QEMFKXVCNGABRR-MNOVXSKESA-N 1 2 286.253 2.821 20 5 CFBDLO CC(C)n1ccnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594927156 349512292 /nfs/dbraw/zinc/51/22/92/349512292.db2.gz YMKDGDBDUGWSPZ-UHFFFAOYSA-N 1 2 274.324 2.662 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595316143 349599979 /nfs/dbraw/zinc/59/99/79/349599979.db2.gz CNGGDWJDVHZXOW-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595316143 349599984 /nfs/dbraw/zinc/59/99/84/349599984.db2.gz CNGGDWJDVHZXOW-MFKMUULPSA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1noc(C[NH+]2CCC(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595330013 349603507 /nfs/dbraw/zinc/60/35/07/349603507.db2.gz GRCQYSSJLNWFAX-UHFFFAOYSA-N 1 2 293.245 2.666 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595398540 349615948 /nfs/dbraw/zinc/61/59/48/349615948.db2.gz RWUIXPKUXHNDLB-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595398540 349615949 /nfs/dbraw/zinc/61/59/49/349615949.db2.gz RWUIXPKUXHNDLB-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1F ZINC000595425233 349621597 /nfs/dbraw/zinc/62/15/97/349621597.db2.gz ZUHGVYCPCQCOCB-BXKDBHETSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1F ZINC000595425233 349621600 /nfs/dbraw/zinc/62/16/00/349621600.db2.gz ZUHGVYCPCQCOCB-BXKDBHETSA-N 1 2 270.279 2.914 20 5 CFBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596078920 349788864 /nfs/dbraw/zinc/78/88/64/349788864.db2.gz FJRBJSHZMAXVNP-MRVPVSSYSA-N 1 2 266.326 2.662 20 5 CFBDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596081447 349789264 /nfs/dbraw/zinc/78/92/64/349789264.db2.gz XFBUTEILEFCYKK-SECBINFHSA-N 1 2 280.353 2.909 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000126973197 187274004 /nfs/dbraw/zinc/27/40/04/187274004.db2.gz CVWBOLOFHNXZNZ-TXEJJXNPSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000126973197 187274005 /nfs/dbraw/zinc/27/40/05/187274005.db2.gz CVWBOLOFHNXZNZ-TXEJJXNPSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2ccc(N)[nH+]c2)c1 ZINC000127118689 187283484 /nfs/dbraw/zinc/28/34/84/187283484.db2.gz LDLWAQXWKSIBBB-UHFFFAOYSA-N 1 2 272.308 2.517 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000428107060 530026348 /nfs/dbraw/zinc/02/63/48/530026348.db2.gz JIFARENVRGEMJE-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])s1 ZINC000596542221 349936480 /nfs/dbraw/zinc/93/64/80/349936480.db2.gz LPTUYAMMHANRFD-QMMMGPOBSA-N 1 2 266.326 2.871 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032489140 346305610 /nfs/dbraw/zinc/30/56/10/346305610.db2.gz VXXWVXZINZKWPK-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000032489140 346305612 /nfs/dbraw/zinc/30/56/12/346305612.db2.gz VXXWVXZINZKWPK-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000051914387 346508325 /nfs/dbraw/zinc/50/83/25/346508325.db2.gz QMVYTUWKQKJSCG-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3ccncc3[N+](=O)[O-])cn2c1 ZINC000066810102 346780851 /nfs/dbraw/zinc/78/08/51/346780851.db2.gz QZTPUMKLBLBICZ-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cc1ncsc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443807 347674159 /nfs/dbraw/zinc/67/41/59/347674159.db2.gz BFCQGWNQZSTKRZ-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1ncsc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443807 347674164 /nfs/dbraw/zinc/67/41/64/347674164.db2.gz BFCQGWNQZSTKRZ-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000160236501 348017267 /nfs/dbraw/zinc/01/72/67/348017267.db2.gz IPKKODMQTDSBRG-SSDOTTSWSA-N 1 2 250.233 2.630 20 5 CFBDLO COC[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413080943 233015551 /nfs/dbraw/zinc/01/55/51/233015551.db2.gz GFTPAEPRDOSBMD-JTQLQIEISA-N 1 2 275.308 2.837 20 5 CFBDLO COC[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413159506 233025367 /nfs/dbraw/zinc/02/53/67/233025367.db2.gz WXWFAGGILSWTKJ-LLVKDONJSA-N 1 2 287.319 2.616 20 5 CFBDLO C[C@H](CO)[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413157173 233025887 /nfs/dbraw/zinc/02/58/87/233025887.db2.gz TXUYDRQETZTPLS-ZJUUUORDSA-N 1 2 275.308 2.572 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000587368611 348762001 /nfs/dbraw/zinc/76/20/01/348762001.db2.gz BNJNUVCZJVSGCQ-UHFFFAOYSA-N 1 2 268.276 2.505 20 5 CFBDLO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723724 348937202 /nfs/dbraw/zinc/93/72/02/348937202.db2.gz NPQBSXOCWHEZLB-SFYZADRCSA-N 1 2 264.310 2.971 20 5 CFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000591136817 348991691 /nfs/dbraw/zinc/99/16/91/348991691.db2.gz OXPULJYSHLAMKJ-QWRGUYRKSA-N 1 2 287.319 2.757 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000592156343 349092888 /nfs/dbraw/zinc/09/28/88/349092888.db2.gz KQUDYKOPWVFZHJ-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000592156343 349092889 /nfs/dbraw/zinc/09/28/89/349092889.db2.gz KQUDYKOPWVFZHJ-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592187017 349096306 /nfs/dbraw/zinc/09/63/06/349096306.db2.gz YTVLEXPWHTUKST-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592187017 349096308 /nfs/dbraw/zinc/09/63/08/349096308.db2.gz YTVLEXPWHTUKST-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593064495 349199257 /nfs/dbraw/zinc/19/92/57/349199257.db2.gz ZHQKNLCAEZDNOH-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593064495 349199259 /nfs/dbraw/zinc/19/92/59/349199259.db2.gz ZHQKNLCAEZDNOH-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593064492 349199508 /nfs/dbraw/zinc/19/95/08/349199508.db2.gz ZHQKNLCAEZDNOH-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593064492 349199509 /nfs/dbraw/zinc/19/95/09/349199509.db2.gz ZHQKNLCAEZDNOH-BXUZGUMPSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1c(NCC2(O)CCCC2)ccc2c[nH+]ccc21 ZINC000599025946 350361408 /nfs/dbraw/zinc/36/14/08/350361408.db2.gz FRPJDSYBOINTNN-UHFFFAOYSA-N 1 2 287.319 2.860 20 5 CFBDLO COC(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599049807 350366110 /nfs/dbraw/zinc/36/61/10/350366110.db2.gz RUWUGMJXOGMZCA-UHFFFAOYSA-N 1 2 275.308 2.980 20 5 CFBDLO CO[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068758 350370213 /nfs/dbraw/zinc/37/02/13/350370213.db2.gz ODZMKXDZPQJXOP-SECBINFHSA-N 1 2 261.281 2.590 20 5 CFBDLO COCC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599077607 350371763 /nfs/dbraw/zinc/37/17/63/350371763.db2.gz GLXSPDAEZWSWJU-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO C[C@@H](CCCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084210 350373362 /nfs/dbraw/zinc/37/33/62/350373362.db2.gz UMSJNHYRFPFMKA-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC2(C1)CCCOC2 ZINC000599086259 350373616 /nfs/dbraw/zinc/37/36/16/350373616.db2.gz ZQMZGWPAEDBTTC-UHFFFAOYSA-N 1 2 299.330 2.760 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000599095011 350374950 /nfs/dbraw/zinc/37/49/50/350374950.db2.gz OIVDFOIIQRPTNM-DOMZBBRYSA-N 1 2 299.330 2.758 20 5 CFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000599133429 350381480 /nfs/dbraw/zinc/38/14/80/350381480.db2.gz OPRWMRWYFLJZIU-LBPRGKRZSA-N 1 2 285.294 2.736 20 5 CFBDLO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000599133429 350381483 /nfs/dbraw/zinc/38/14/83/350381483.db2.gz OPRWMRWYFLJZIU-LBPRGKRZSA-N 1 2 285.294 2.736 20 5 CFBDLO CN(CC1(C)COC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599144328 350384074 /nfs/dbraw/zinc/38/40/74/350384074.db2.gz FOVABKGGMCOHAH-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(C3)CCCO4)c2c1 ZINC000599144636 350384401 /nfs/dbraw/zinc/38/44/01/350384401.db2.gz KWIHAILWLGLRAF-UHFFFAOYSA-N 1 2 285.303 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000599423578 350433948 /nfs/dbraw/zinc/43/39/48/350433948.db2.gz ZPTZHDZRBZWURW-UHFFFAOYSA-N 1 2 292.726 2.530 20 5 CFBDLO COCCN(C)c1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600787014 350611430 /nfs/dbraw/zinc/61/14/30/350611430.db2.gz WVWIWVCMEGVYMT-UHFFFAOYSA-N 1 2 287.319 2.739 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602895303 351059264 /nfs/dbraw/zinc/05/92/64/351059264.db2.gz BOEWVBNDDLKAFC-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602895303 351059268 /nfs/dbraw/zinc/05/92/68/351059268.db2.gz BOEWVBNDDLKAFC-CQSZACIVSA-N 1 2 284.319 2.722 20 5 CFBDLO COCc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000603428517 351162280 /nfs/dbraw/zinc/16/22/80/351162280.db2.gz UWOPWBGEFUCHHW-JTQLQIEISA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000603845369 351185465 /nfs/dbraw/zinc/18/54/65/351185465.db2.gz OHOCYEDAQUKQAZ-UHFFFAOYSA-N 1 2 297.318 2.911 20 5 CFBDLO Cc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000609618986 351512311 /nfs/dbraw/zinc/51/23/11/351512311.db2.gz WAODSCJQUNCUKX-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1ccsc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000611414579 351687779 /nfs/dbraw/zinc/68/77/79/351687779.db2.gz KIGQSVCTSQOVPM-SNVBAGLBSA-N 1 2 290.348 2.742 20 5 CFBDLO COc1ccc(NCC(C)=Cc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000615721938 352235908 /nfs/dbraw/zinc/23/59/08/352235908.db2.gz BWNYPHXCYFYMOS-WQLSENKSSA-N 1 2 299.330 2.936 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000618460530 352780736 /nfs/dbraw/zinc/78/07/36/352780736.db2.gz YUBNNRCHLPXZNU-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000619531737 353033231 /nfs/dbraw/zinc/03/32/31/353033231.db2.gz XABXAFJSFYYXLL-ZWNOBZJWSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000619531737 353033233 /nfs/dbraw/zinc/03/32/33/353033233.db2.gz XABXAFJSFYYXLL-ZWNOBZJWSA-N 1 2 282.315 2.783 20 5 CFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154483675 188144867 /nfs/dbraw/zinc/14/48/67/188144867.db2.gz SJMKDAXBMPWWNK-NSHDSACASA-N 1 2 294.351 2.757 20 5 CFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154483675 188144868 /nfs/dbraw/zinc/14/48/68/188144868.db2.gz SJMKDAXBMPWWNK-NSHDSACASA-N 1 2 294.351 2.757 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000158054941 188355171 /nfs/dbraw/zinc/35/51/71/188355171.db2.gz YPTOAAGQUQOHSI-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000158054941 188355172 /nfs/dbraw/zinc/35/51/72/188355172.db2.gz YPTOAAGQUQOHSI-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000567986443 290511540 /nfs/dbraw/zinc/51/15/40/290511540.db2.gz SAUFWGDLUAMDGM-LLVKDONJSA-N 1 2 288.307 2.690 20 5 CFBDLO CC(C)c1ccc(C[NH+]2CC(C)(CO)C2)cc1[N+](=O)[O-] ZINC000459617784 535371194 /nfs/dbraw/zinc/37/11/94/535371194.db2.gz CREWNTCELLIRPO-UHFFFAOYSA-N 1 2 278.352 2.532 20 5 CFBDLO CC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000298276179 200380699 /nfs/dbraw/zinc/38/06/99/200380699.db2.gz ABWNTHIVYGGXQE-RISCZKNCSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000298276179 200380701 /nfs/dbraw/zinc/38/07/01/200380701.db2.gz ABWNTHIVYGGXQE-RISCZKNCSA-N 1 2 264.325 2.767 20 5 CFBDLO CCC[C@H]([NH2+]CC(F)(F)CO)c1cccc([N+](=O)[O-])c1 ZINC000184716071 189393536 /nfs/dbraw/zinc/39/35/36/189393536.db2.gz JBOVDCMUIXXEFO-LBPRGKRZSA-N 1 2 288.294 2.653 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1ccccc1[N+](=O)[O-] ZINC000301848418 201232786 /nfs/dbraw/zinc/23/27/86/201232786.db2.gz ODMPLTWQYHOPGR-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO Nc1nc(NCc2cccc([N+](=O)[O-])c2)[nH+]c2ccccc12 ZINC000301898765 201252782 /nfs/dbraw/zinc/25/27/82/201252782.db2.gz XEGJEVDYRXYDKF-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331931747 291326482 /nfs/dbraw/zinc/32/64/82/291326482.db2.gz VXTBNVXNWLJWNA-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331931747 291326483 /nfs/dbraw/zinc/32/64/83/291326483.db2.gz VXTBNVXNWLJWNA-VIFPVBQESA-N 1 2 292.364 2.509 20 5 CFBDLO CC(C)[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1[nH]cc[nH+]1 ZINC000450511693 242460446 /nfs/dbraw/zinc/46/04/46/242460446.db2.gz QREAYAKQOJTXDA-LLVKDONJSA-N 1 2 261.285 2.522 20 5 CFBDLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451104173 242731478 /nfs/dbraw/zinc/73/14/78/242731478.db2.gz PXZXQKFYQKGWHA-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(F)F)CC1 ZINC000453208892 243455774 /nfs/dbraw/zinc/45/57/74/243455774.db2.gz HTMIREFSKSEVKU-SECBINFHSA-N 1 2 270.279 2.913 20 5 CFBDLO CCOC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459615381 245241392 /nfs/dbraw/zinc/24/13/92/245241392.db2.gz FJJGKCITECPHNH-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO Cn1cc[nH+]c1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000051921969 373419124 /nfs/dbraw/zinc/41/91/24/373419124.db2.gz WLPWZFXJWJYPPW-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477815 374030499 /nfs/dbraw/zinc/03/04/99/374030499.db2.gz OEBUJHRIXXPKEZ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000068477815 374030504 /nfs/dbraw/zinc/03/05/04/374030504.db2.gz OEBUJHRIXXPKEZ-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000070445346 374177993 /nfs/dbraw/zinc/17/79/93/374177993.db2.gz VBIULBVCBHQANK-QMMMGPOBSA-N 1 2 264.260 2.641 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccs1 ZINC000080305704 374651035 /nfs/dbraw/zinc/65/10/35/374651035.db2.gz LSHCRZGRTAANAB-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)O1 ZINC000094774716 375377910 /nfs/dbraw/zinc/37/79/10/375377910.db2.gz NMHFYCVUXOXDJR-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC(C)(C)O1 ZINC000094774716 375377911 /nfs/dbraw/zinc/37/79/11/375377911.db2.gz NMHFYCVUXOXDJR-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccco1 ZINC000101588734 375645158 /nfs/dbraw/zinc/64/51/58/375645158.db2.gz QULFHGBIVIIPAB-UHFFFAOYSA-N 1 2 276.292 2.876 20 5 CFBDLO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123703407 376969514 /nfs/dbraw/zinc/96/95/14/376969514.db2.gz NCNHWURARUJEDQ-BXUZGUMPSA-N 1 2 266.341 2.652 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000131269691 377686081 /nfs/dbraw/zinc/68/60/81/377686081.db2.gz WZEISVRYYGMROG-CQSZACIVSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000131269691 377686085 /nfs/dbraw/zinc/68/60/85/377686085.db2.gz WZEISVRYYGMROG-CQSZACIVSA-N 1 2 278.352 2.904 20 5 CFBDLO CC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139798212 378237136 /nfs/dbraw/zinc/23/71/36/378237136.db2.gz SZXZGJONIFJXQW-VIFPVBQESA-N 1 2 261.285 2.585 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cncnc1)C1CC1 ZINC000154301388 378556066 /nfs/dbraw/zinc/55/60/66/378556066.db2.gz OEUSRAGYKANVPO-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cncnc1)C1CC1 ZINC000154301388 378556072 /nfs/dbraw/zinc/55/60/72/378556072.db2.gz OEUSRAGYKANVPO-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456462 378561134 /nfs/dbraw/zinc/56/11/34/378561134.db2.gz PDMCQCPKCKCWAM-ZYHUDNBSSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456462 378561138 /nfs/dbraw/zinc/56/11/38/378561138.db2.gz PDMCQCPKCKCWAM-ZYHUDNBSSA-N 1 2 264.325 2.921 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000332442787 378763280 /nfs/dbraw/zinc/76/32/80/378763280.db2.gz CSFCLWZQJTVPPU-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000332442787 378763286 /nfs/dbraw/zinc/76/32/86/378763286.db2.gz CSFCLWZQJTVPPU-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CCN2Cc1c[nH+]c2ccccn12 ZINC000178951716 380494623 /nfs/dbraw/zinc/49/46/23/380494623.db2.gz FVXJCWNBKCUAEO-UHFFFAOYSA-N 1 2 294.314 2.805 20 5 CFBDLO COc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353871920 380916668 /nfs/dbraw/zinc/91/66/68/380916668.db2.gz UWWXYAZPMAEOBR-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353871920 380916672 /nfs/dbraw/zinc/91/66/72/380916672.db2.gz UWWXYAZPMAEOBR-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295609931 380972763 /nfs/dbraw/zinc/97/27/63/380972763.db2.gz DRCLFLDGZVBUFZ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000295609931 380972767 /nfs/dbraw/zinc/97/27/67/380972767.db2.gz DRCLFLDGZVBUFZ-CQSZACIVSA-N 1 2 282.315 2.927 20 5 CFBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1C ZINC000341341969 380948976 /nfs/dbraw/zinc/94/89/76/380948976.db2.gz QAJZRRMPUSVTRE-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368483281 381039778 /nfs/dbraw/zinc/03/97/78/381039778.db2.gz RTXLSBMDSVHEFT-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368483281 381039783 /nfs/dbraw/zinc/03/97/83/381039783.db2.gz RTXLSBMDSVHEFT-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(Sc2[nH+]cc3ccccn32)cn1 ZINC000341711101 381184711 /nfs/dbraw/zinc/18/47/11/381184711.db2.gz IBUBYDOJCGNHCP-UHFFFAOYSA-N 1 2 272.289 2.789 20 5 CFBDLO COc1cc(NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000359081972 381253245 /nfs/dbraw/zinc/25/32/45/381253245.db2.gz AJHKVOHYFYHPCI-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO CCc1nnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000290099478 381299430 /nfs/dbraw/zinc/29/94/30/381299430.db2.gz HXPGQXYHAKGELM-SECBINFHSA-N 1 2 292.364 2.860 20 5 CFBDLO CS[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296408650 381381754 /nfs/dbraw/zinc/38/17/54/381381754.db2.gz UFFNFBYSLWAXQO-SECBINFHSA-N 1 2 288.319 2.810 20 5 CFBDLO CS[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296408650 381381761 /nfs/dbraw/zinc/38/17/61/381381761.db2.gz UFFNFBYSLWAXQO-SECBINFHSA-N 1 2 288.319 2.810 20 5 CFBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343596837 381825708 /nfs/dbraw/zinc/82/57/08/381825708.db2.gz DKGKXCXYBIDYGE-GFCCVEGCSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343596837 381825716 /nfs/dbraw/zinc/82/57/16/381825716.db2.gz DKGKXCXYBIDYGE-GFCCVEGCSA-N 1 2 294.351 2.677 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349237086 381857609 /nfs/dbraw/zinc/85/76/09/381857609.db2.gz IDXATWAEKJGERJ-NXEZZACHSA-N 1 2 261.281 2.995 20 5 CFBDLO Cc1noc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000356933492 381911611 /nfs/dbraw/zinc/91/16/11/381911611.db2.gz ZZLBDIJFHOUMCZ-ONRRBMGISA-N 1 2 288.307 2.650 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CF)c(F)c1 ZINC000293054323 381969307 /nfs/dbraw/zinc/96/93/07/381969307.db2.gz NEBOPXNIWYYTLW-NSHDSACASA-N 1 2 256.252 2.668 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CF)c(F)c1 ZINC000293054323 381969313 /nfs/dbraw/zinc/96/93/13/381969313.db2.gz NEBOPXNIWYYTLW-NSHDSACASA-N 1 2 256.252 2.668 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374913429 382061932 /nfs/dbraw/zinc/06/19/32/382061932.db2.gz LJJKNTFVSQWESA-BNOWGMLFSA-N 1 2 276.336 2.827 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000374913429 382061941 /nfs/dbraw/zinc/06/19/41/382061941.db2.gz LJJKNTFVSQWESA-BNOWGMLFSA-N 1 2 276.336 2.827 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3ncc(C)cc3[N+](=O)[O-])cn2c1 ZINC000357538654 382215937 /nfs/dbraw/zinc/21/59/37/382215937.db2.gz VHPKWRYJCLAFDF-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO COc1cccc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000357575390 382235128 /nfs/dbraw/zinc/23/51/28/382235128.db2.gz KGYOLIPJOWPDDN-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO CCn1ccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385229937 382568261 /nfs/dbraw/zinc/56/82/61/382568261.db2.gz SKXXXPLARLZTRX-UHFFFAOYSA-N 1 2 294.742 2.754 20 5 CFBDLO CCn1cc[nH+]c1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000385229937 382568266 /nfs/dbraw/zinc/56/82/66/382568266.db2.gz SKXXXPLARLZTRX-UHFFFAOYSA-N 1 2 294.742 2.754 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000353643571 382592750 /nfs/dbraw/zinc/59/27/50/382592750.db2.gz XACONVZTJWIWJN-UHFFFAOYSA-N 1 2 294.326 2.736 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000353643571 382592755 /nfs/dbraw/zinc/59/27/55/382592755.db2.gz XACONVZTJWIWJN-UHFFFAOYSA-N 1 2 294.326 2.736 20 5 CFBDLO O=[N+]([O-])c1cccc(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000338156161 382937373 /nfs/dbraw/zinc/93/73/73/382937373.db2.gz RYPCZTZTDHUXFE-UHFFFAOYSA-N 1 2 298.346 2.624 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000447852113 383019599 /nfs/dbraw/zinc/01/95/99/383019599.db2.gz YFBKDDSWWNVPTA-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000447852113 383019602 /nfs/dbraw/zinc/01/96/02/383019602.db2.gz YFBKDDSWWNVPTA-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000519540695 383223256 /nfs/dbraw/zinc/22/32/56/383223256.db2.gz CEKQTGAHGPKPJQ-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000519540695 383223261 /nfs/dbraw/zinc/22/32/61/383223261.db2.gz CEKQTGAHGPKPJQ-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339679843 383286228 /nfs/dbraw/zinc/28/62/28/383286228.db2.gz NEZWUCOQQCCOPL-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339679843 383286232 /nfs/dbraw/zinc/28/62/32/383286232.db2.gz NEZWUCOQQCCOPL-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO Cc1cc(N[C@H]2CC23CC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425273945 383356589 /nfs/dbraw/zinc/35/65/89/383356589.db2.gz PTTJYXLPHDIJPG-ZDUSSCGKSA-N 1 2 296.330 2.747 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000450833383 383512252 /nfs/dbraw/zinc/51/22/52/383512252.db2.gz SRSDJEIDVAONPR-UWVGGRQHSA-N 1 2 273.296 2.613 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(F)c1 ZINC000335583266 285093195 /nfs/dbraw/zinc/09/31/95/285093195.db2.gz AGZSRZXNIINORX-IUCAKERBSA-N 1 2 286.303 2.563 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(F)c1 ZINC000335583266 285093196 /nfs/dbraw/zinc/09/31/96/285093196.db2.gz AGZSRZXNIINORX-IUCAKERBSA-N 1 2 286.303 2.563 20 5 CFBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279368345 384616387 /nfs/dbraw/zinc/61/63/87/384616387.db2.gz RNQDVSWCGXKPCF-JOYOIKCWSA-N 1 2 282.365 2.656 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279368345 384616396 /nfs/dbraw/zinc/61/63/96/384616396.db2.gz RNQDVSWCGXKPCF-JOYOIKCWSA-N 1 2 282.365 2.656 20 5 CFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000270012963 384940774 /nfs/dbraw/zinc/94/07/74/384940774.db2.gz UVDOAVZLULXMOQ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC12CCCC2 ZINC000270600998 385161233 /nfs/dbraw/zinc/16/12/33/385161233.db2.gz GVLKKUSWILXLQW-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC12CCCC2 ZINC000270600998 385161240 /nfs/dbraw/zinc/16/12/40/385161240.db2.gz GVLKKUSWILXLQW-UHFFFAOYSA-N 1 2 276.336 2.740 20 5 CFBDLO CCOCC[N@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286564712 385651262 /nfs/dbraw/zinc/65/12/62/385651262.db2.gz VPQLMAFACPFAGI-UHFFFAOYSA-N 1 2 288.294 2.731 20 5 CFBDLO CCOCC[N@@H+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286564712 385651272 /nfs/dbraw/zinc/65/12/72/385651272.db2.gz VPQLMAFACPFAGI-UHFFFAOYSA-N 1 2 288.294 2.731 20 5 CFBDLO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000342218990 130391568 /nfs/dbraw/zinc/39/15/68/130391568.db2.gz AAGXREFOLPJTII-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO COC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000184589846 393528455 /nfs/dbraw/zinc/52/84/55/393528455.db2.gz ZFWQAHKIAGQJNT-GFCCVEGCSA-N 1 2 294.282 2.804 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279367032 394066880 /nfs/dbraw/zinc/06/68/80/394066880.db2.gz RNQDVSWCGXKPCF-BXKDBHETSA-N 1 2 282.365 2.656 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279367032 394066883 /nfs/dbraw/zinc/06/68/83/394066883.db2.gz RNQDVSWCGXKPCF-BXKDBHETSA-N 1 2 282.365 2.656 20 5 CFBDLO Cc1ccoc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356524366 394077913 /nfs/dbraw/zinc/07/79/13/394077913.db2.gz KVSSGIGCNAANQH-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO Cc1ccoc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356524366 394077915 /nfs/dbraw/zinc/07/79/15/394077915.db2.gz KVSSGIGCNAANQH-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](F)C3)co2)cc1 ZINC000451201321 394367917 /nfs/dbraw/zinc/36/79/17/394367917.db2.gz UREXRORZCPGDMC-NSHDSACASA-N 1 2 291.282 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](F)C3)co2)cc1 ZINC000451201321 394367918 /nfs/dbraw/zinc/36/79/18/394367918.db2.gz UREXRORZCPGDMC-NSHDSACASA-N 1 2 291.282 2.794 20 5 CFBDLO C[C@@H](c1cnccn1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344495 394860364 /nfs/dbraw/zinc/86/03/64/394860364.db2.gz ZMEQHZLEFMVYRS-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1cnccn1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547344495 394860366 /nfs/dbraw/zinc/86/03/66/394860366.db2.gz ZMEQHZLEFMVYRS-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO Cc1nc(N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000343262165 154159116 /nfs/dbraw/zinc/15/91/16/154159116.db2.gz GPRMDMUYTQNSDI-ZDUSSCGKSA-N 1 2 287.323 2.595 20 5 CFBDLO CCc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355807572 155091913 /nfs/dbraw/zinc/09/19/13/155091913.db2.gz ZWGNIRLRFFOIOW-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO CCc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355807572 155091915 /nfs/dbraw/zinc/09/19/15/155091915.db2.gz ZWGNIRLRFFOIOW-UHFFFAOYSA-N 1 2 288.351 2.523 20 5 CFBDLO COc1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000360225869 156058558 /nfs/dbraw/zinc/05/85/58/156058558.db2.gz SMEYELDNAUTQMO-UHFFFAOYSA-N 1 2 288.307 2.522 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)ccc1Cl ZINC000367231426 156300667 /nfs/dbraw/zinc/30/06/67/156300667.db2.gz ORPBZQPNSIAOMH-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COC[C@H]32)ccc1Cl ZINC000367231426 156300672 /nfs/dbraw/zinc/30/06/72/156300672.db2.gz ORPBZQPNSIAOMH-SMDDNHRTSA-N 1 2 296.754 2.859 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000375331708 157229053 /nfs/dbraw/zinc/22/90/53/157229053.db2.gz LPCJNBYOIACQSG-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000375331708 157229056 /nfs/dbraw/zinc/22/90/56/157229056.db2.gz LPCJNBYOIACQSG-OAHLLOKOSA-N 1 2 276.336 2.514 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375332345 157229310 /nfs/dbraw/zinc/22/93/10/157229310.db2.gz OQLFKVWMFCAHSC-LLCTXKFZSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375332345 157229314 /nfs/dbraw/zinc/22/93/14/157229314.db2.gz OQLFKVWMFCAHSC-LLCTXKFZSA-N 1 2 288.347 2.719 20 5 CFBDLO C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000345352515 162233440 /nfs/dbraw/zinc/23/34/40/162233440.db2.gz JPHGRCBRRMYMOD-ONGXEEELSA-N 1 2 258.281 2.909 20 5 CFBDLO Cc1ccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c[nH+]1 ZINC000349863617 163028544 /nfs/dbraw/zinc/02/85/44/163028544.db2.gz MGEJHNIOOIEGHV-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778635 163233340 /nfs/dbraw/zinc/23/33/40/163233340.db2.gz LMHFLWKDACHMFF-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352778635 163233341 /nfs/dbraw/zinc/23/33/41/163233341.db2.gz LMHFLWKDACHMFF-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@@H](c1cccnc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707915 287155564 /nfs/dbraw/zinc/15/55/64/287155564.db2.gz DGTBGVUDKUJOQD-LBPRGKRZSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@@H](c1cccnc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707915 287155565 /nfs/dbraw/zinc/15/55/65/287155565.db2.gz DGTBGVUDKUJOQD-LBPRGKRZSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccccn1 ZINC000035694736 172363613 /nfs/dbraw/zinc/36/36/13/172363613.db2.gz UFHQTCCUYZKWJS-JTQLQIEISA-N 1 2 275.283 2.980 20 5 CFBDLO Cc1csc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000038091154 174104699 /nfs/dbraw/zinc/10/46/99/174104699.db2.gz QPOQUBUNGVRZSE-UHFFFAOYSA-N 1 2 269.351 2.711 20 5 CFBDLO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000044692596 175233792 /nfs/dbraw/zinc/23/37/92/175233792.db2.gz RHWAYMSEWAFESP-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cn1cccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192637000 270232924 /nfs/dbraw/zinc/23/29/24/270232924.db2.gz NTFBZIVWTQVGNB-UHFFFAOYSA-N 1 2 259.309 2.565 20 5 CFBDLO Cn1cccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192637000 270232925 /nfs/dbraw/zinc/23/29/25/270232925.db2.gz NTFBZIVWTQVGNB-UHFFFAOYSA-N 1 2 259.309 2.565 20 5 CFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000530956324 270816061 /nfs/dbraw/zinc/81/60/61/270816061.db2.gz RGZRPTVLCGVARM-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411839871 275039826 /nfs/dbraw/zinc/03/98/26/275039826.db2.gz CTUKVSNEVZKCGI-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411839871 275039827 /nfs/dbraw/zinc/03/98/27/275039827.db2.gz CTUKVSNEVZKCGI-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091814907 276052986 /nfs/dbraw/zinc/05/29/86/276052986.db2.gz PVFFAGJADQBIEQ-LBPRGKRZSA-N 1 2 278.352 2.939 20 5 CFBDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091814907 276052987 /nfs/dbraw/zinc/05/29/87/276052987.db2.gz PVFFAGJADQBIEQ-LBPRGKRZSA-N 1 2 278.352 2.939 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015415654 278110740 /nfs/dbraw/zinc/11/07/40/278110740.db2.gz WZGUPMPNGQHSQJ-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015415654 278110743 /nfs/dbraw/zinc/11/07/43/278110743.db2.gz WZGUPMPNGQHSQJ-GFCCVEGCSA-N 1 2 271.320 2.973 20 5 CFBDLO Cc1cncc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352706883 279024508 /nfs/dbraw/zinc/02/45/08/279024508.db2.gz PHVFUEAADHHBKA-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO Cc1cncc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352706883 279024509 /nfs/dbraw/zinc/02/45/09/279024509.db2.gz PHVFUEAADHHBKA-UHFFFAOYSA-N 1 2 299.330 2.693 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970641 281221129 /nfs/dbraw/zinc/22/11/29/281221129.db2.gz GOOYAMXHKCKSCR-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970641 281221130 /nfs/dbraw/zinc/22/11/30/281221130.db2.gz GOOYAMXHKCKSCR-YPMHNXCESA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430238762 281232692 /nfs/dbraw/zinc/23/26/92/281232692.db2.gz RFEJYNQGWFSDAN-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000430238762 281232694 /nfs/dbraw/zinc/23/26/94/281232694.db2.gz RFEJYNQGWFSDAN-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000541732512 281610701 /nfs/dbraw/zinc/61/07/01/281610701.db2.gz NFCKUTFDMBFCRP-GFCCVEGCSA-N 1 2 274.324 2.569 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cncc(F)c1)C2 ZINC000561865177 282062206 /nfs/dbraw/zinc/06/22/06/282062206.db2.gz JDMGWTGPWCQGCX-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cncc(F)c1)C2 ZINC000561865177 282062208 /nfs/dbraw/zinc/06/22/08/282062208.db2.gz JDMGWTGPWCQGCX-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO Cc1[nH]c(CN[C@H](C)c2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000566496141 290395034 /nfs/dbraw/zinc/39/50/34/290395034.db2.gz BUJKYLDSDDGTKO-LLVKDONJSA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000566496141 290395038 /nfs/dbraw/zinc/39/50/38/290395038.db2.gz BUJKYLDSDDGTKO-LLVKDONJSA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000583206316 325269010 /nfs/dbraw/zinc/26/90/10/325269010.db2.gz IESLKWURGZVZOE-NSHDSACASA-N 1 2 288.307 2.690 20 5 CFBDLO COc1cncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000584373836 329299891 /nfs/dbraw/zinc/29/98/91/329299891.db2.gz FKJJUAYYPVTSIR-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1cncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000584373836 329299893 /nfs/dbraw/zinc/29/98/93/329299893.db2.gz FKJJUAYYPVTSIR-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO C[C@@H](O)C[C@@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230184 533729859 /nfs/dbraw/zinc/72/98/59/533729859.db2.gz ADPUFPMFSQHPIO-NXEZZACHSA-N 1 2 275.308 2.714 20 5 CFBDLO Cc1ccc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)[nH+]c1 ZINC000413360110 533807948 /nfs/dbraw/zinc/80/79/48/533807948.db2.gz YSLLTEKZQRCQIU-UHFFFAOYSA-N 1 2 298.346 2.921 20 5 CFBDLO C[C@@H](CO)[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413157171 534148623 /nfs/dbraw/zinc/14/86/23/534148623.db2.gz TXUYDRQETZTPLS-UWVGGRQHSA-N 1 2 275.308 2.572 20 5 CFBDLO CC[C@H]([NH2+]Cc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000192161696 522670027 /nfs/dbraw/zinc/67/00/27/522670027.db2.gz FMCMNRDIIWYESM-ZDUSSCGKSA-N 1 2 272.308 2.626 20 5 CFBDLO C[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313586888 523462461 /nfs/dbraw/zinc/46/24/61/523462461.db2.gz YRLLOXONHBOMJU-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO C[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313586888 523462466 /nfs/dbraw/zinc/46/24/66/523462466.db2.gz YRLLOXONHBOMJU-UHFFFAOYSA-N 1 2 275.283 2.761 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000361153320 523720662 /nfs/dbraw/zinc/72/06/62/523720662.db2.gz JMFURECLHXHBDV-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000361153320 523720664 /nfs/dbraw/zinc/72/06/64/523720664.db2.gz JMFURECLHXHBDV-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(OC(F)F)C3)c2c1 ZINC000413242649 534884423 /nfs/dbraw/zinc/88/44/23/534884423.db2.gz HVYUWQOQIUZAEX-UHFFFAOYSA-N 1 2 295.245 2.571 20 5 CFBDLO O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000364721155 527386128 /nfs/dbraw/zinc/38/61/28/527386128.db2.gz GQCJKJGCILRMFC-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)C1CCC1 ZINC000221168197 527388146 /nfs/dbraw/zinc/38/81/46/527388146.db2.gz SJGGZHCMNXQPKO-UHFFFAOYSA-N 1 2 284.743 2.595 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)C1CCC1 ZINC000221168197 527388155 /nfs/dbraw/zinc/38/81/55/527388155.db2.gz SJGGZHCMNXQPKO-UHFFFAOYSA-N 1 2 284.743 2.595 20 5 CFBDLO CC(C)[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149370 527742719 /nfs/dbraw/zinc/74/27/19/527742719.db2.gz BKEAITCTMLSUBF-CYBMUJFWSA-N 1 2 275.308 2.572 20 5 CFBDLO CC(C)OCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413239829 527978917 /nfs/dbraw/zinc/97/89/17/527978917.db2.gz UHUBZYGTKBASOG-UHFFFAOYSA-N 1 2 275.308 2.980 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491368863 537120973 /nfs/dbraw/zinc/12/09/73/537120973.db2.gz SLPVLCOAXBXXHK-QPJJXVBHSA-N 1 2 299.286 2.650 20 5 CFBDLO C[N@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000754657716 574111178 /nfs/dbraw/zinc/11/11/78/574111178.db2.gz DNRNRKOKXJMGCH-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000754657716 574111180 /nfs/dbraw/zinc/11/11/80/574111180.db2.gz DNRNRKOKXJMGCH-UHFFFAOYSA-N 1 2 280.715 2.603 20 5 CFBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)(C)C(=O)OC ZINC000933189584 618167957 /nfs/dbraw/zinc/16/79/57/618167957.db2.gz BVUVCFQAUHSUFI-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)(C)C(=O)OC ZINC000933189584 618167960 /nfs/dbraw/zinc/16/79/60/618167960.db2.gz BVUVCFQAUHSUFI-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255630107 618235896 /nfs/dbraw/zinc/23/58/96/618235896.db2.gz ORYMCKGLZHNNDP-ALCCZGGFSA-N 1 2 276.336 2.719 20 5 CFBDLO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255630107 618235897 /nfs/dbraw/zinc/23/58/97/618235897.db2.gz ORYMCKGLZHNNDP-ALCCZGGFSA-N 1 2 276.336 2.719 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895068406 618253937 /nfs/dbraw/zinc/25/39/37/618253937.db2.gz XWKCSHSSAXAAHB-UHFFFAOYSA-N 1 2 298.346 2.755 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895068406 618253943 /nfs/dbraw/zinc/25/39/43/618253943.db2.gz XWKCSHSSAXAAHB-UHFFFAOYSA-N 1 2 298.346 2.755 20 5 CFBDLO Cn1c[nH+]c(CCNc2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000313465296 618990171 /nfs/dbraw/zinc/99/01/71/618990171.db2.gz BLXNVWKKJOAANT-UHFFFAOYSA-N 1 2 298.705 2.775 20 5 CFBDLO C[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774289 619136953 /nfs/dbraw/zinc/13/69/53/619136953.db2.gz RWIARKJCTBVGRH-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO C[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774289 619136954 /nfs/dbraw/zinc/13/69/54/619136954.db2.gz RWIARKJCTBVGRH-UHFFFAOYSA-N 1 2 264.256 2.959 20 5 CFBDLO CC(C)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058815157 623065612 /nfs/dbraw/zinc/06/56/12/623065612.db2.gz FMLBDHSSHZYYPS-UHFFFAOYSA-N 1 2 289.291 2.593 20 5 CFBDLO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])ncn1 ZINC000756991541 626543180 /nfs/dbraw/zinc/54/31/80/626543180.db2.gz VFTLZPOMRBLMLE-UHFFFAOYSA-N 1 2 292.726 2.636 20 5 CFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000770734075 627544636 /nfs/dbraw/zinc/54/46/36/627544636.db2.gz QTUSPTSCXNFDGI-UHFFFAOYSA-N 1 2 297.270 2.600 20 5 CFBDLO C[C@H]1CCOCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775568602 628038932 /nfs/dbraw/zinc/03/89/32/628038932.db2.gz HAZNUDJZPWRRQW-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CCOCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775568602 628038934 /nfs/dbraw/zinc/03/89/34/628038934.db2.gz HAZNUDJZPWRRQW-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000779889304 628416207 /nfs/dbraw/zinc/41/62/07/628416207.db2.gz PLMCTRRNNMVLRL-WHLNPGIBSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000779889304 628416210 /nfs/dbraw/zinc/41/62/10/628416210.db2.gz PLMCTRRNNMVLRL-WHLNPGIBSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000779888502 628416238 /nfs/dbraw/zinc/41/62/38/628416238.db2.gz MAGQGRMLYWODQG-HVHJFMEUSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000779888502 628416240 /nfs/dbraw/zinc/41/62/40/628416240.db2.gz MAGQGRMLYWODQG-HVHJFMEUSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1Cl ZINC000782533774 628643818 /nfs/dbraw/zinc/64/38/18/628643818.db2.gz XKCABXHQVUEFGX-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1Cl ZINC000782533774 628643821 /nfs/dbraw/zinc/64/38/21/628643821.db2.gz XKCABXHQVUEFGX-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000791053704 629284041 /nfs/dbraw/zinc/28/40/41/629284041.db2.gz MVOJUJAPBISEIG-NSHDSACASA-N 1 2 277.349 2.710 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000791053704 629284044 /nfs/dbraw/zinc/28/40/44/629284044.db2.gz MVOJUJAPBISEIG-NSHDSACASA-N 1 2 277.349 2.710 20 5 CFBDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054416 629284399 /nfs/dbraw/zinc/28/43/99/629284399.db2.gz UYHYEILWLJWMBS-GWCFXTLKSA-N 1 2 264.325 2.644 20 5 CFBDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000791054416 629284401 /nfs/dbraw/zinc/28/44/01/629284401.db2.gz UYHYEILWLJWMBS-GWCFXTLKSA-N 1 2 264.325 2.644 20 5 CFBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000791055804 629284520 /nfs/dbraw/zinc/28/45/20/629284520.db2.gz YOXBBPWJCAETQU-SNVBAGLBSA-N 1 2 271.386 2.844 20 5 CFBDLO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CC[N+](=O)[O-] ZINC000791055804 629284523 /nfs/dbraw/zinc/28/45/23/629284523.db2.gz YOXBBPWJCAETQU-SNVBAGLBSA-N 1 2 271.386 2.844 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791571672 629335521 /nfs/dbraw/zinc/33/55/21/629335521.db2.gz AZYIKTLTUXPIPC-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791571672 629335525 /nfs/dbraw/zinc/33/55/25/629335525.db2.gz AZYIKTLTUXPIPC-DTORHVGOSA-N 1 2 297.742 2.669 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962159 630264984 /nfs/dbraw/zinc/26/49/84/630264984.db2.gz JJUKGOSKMWIGQM-GFCCVEGCSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962159 630264985 /nfs/dbraw/zinc/26/49/85/630264985.db2.gz JJUKGOSKMWIGQM-GFCCVEGCSA-N 1 2 299.330 2.685 20 5 CFBDLO Cc1ccc(C[NH2+]Cc2nccn2C(C)C)cc1[N+](=O)[O-] ZINC000865787838 638574624 /nfs/dbraw/zinc/57/46/24/638574624.db2.gz TWBFWLGWEBVDTE-UHFFFAOYSA-N 1 2 288.351 2.970 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927610 638660255 /nfs/dbraw/zinc/66/02/55/638660255.db2.gz DOQBNKXZHMHXHP-NSHDSACASA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927610 638660259 /nfs/dbraw/zinc/66/02/59/638660259.db2.gz DOQBNKXZHMHXHP-NSHDSACASA-N 1 2 285.294 2.580 20 5 CFBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000872033427 641564666 /nfs/dbraw/zinc/56/46/66/641564666.db2.gz GYEPQASFLJGTIQ-SECBINFHSA-N 1 2 292.364 2.891 20 5 CFBDLO CCn1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872045293 641580360 /nfs/dbraw/zinc/58/03/60/641580360.db2.gz KVCHRLNDWMZREG-JTQLQIEISA-N 1 2 292.314 2.801 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(Cl)C2)cc1 ZINC000878793716 644029280 /nfs/dbraw/zinc/02/92/80/644029280.db2.gz JADIGXNSNRPNLA-UHFFFAOYSA-N 1 2 252.701 2.923 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(Cl)C2)cc1 ZINC000878793716 644029284 /nfs/dbraw/zinc/02/92/84/644029284.db2.gz JADIGXNSNRPNLA-UHFFFAOYSA-N 1 2 252.701 2.923 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000886033512 646830746 /nfs/dbraw/zinc/83/07/46/646830746.db2.gz VWRIYROUZSDNLK-CQSZACIVSA-N 1 2 269.304 2.937 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000886033512 646830751 /nfs/dbraw/zinc/83/07/51/646830751.db2.gz VWRIYROUZSDNLK-CQSZACIVSA-N 1 2 269.304 2.937 20 5 CFBDLO CC[N@H+](Cc1occc1C)Cc1cccnc1[N+](=O)[O-] ZINC000886247405 646937131 /nfs/dbraw/zinc/93/71/31/646937131.db2.gz QGEFNUSNPMGYII-UHFFFAOYSA-N 1 2 275.308 2.913 20 5 CFBDLO CC[N@@H+](Cc1occc1C)Cc1cccnc1[N+](=O)[O-] ZINC000886247405 646937134 /nfs/dbraw/zinc/93/71/34/646937134.db2.gz QGEFNUSNPMGYII-UHFFFAOYSA-N 1 2 275.308 2.913 20 5 CFBDLO C[C@@H]([NH2+][C@H](C)c1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000930207593 649207365 /nfs/dbraw/zinc/20/73/65/649207365.db2.gz BFRMQTSUFKYEOD-GHMZBOCLSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1ccc(C[N@@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000931467507 649435023 /nfs/dbraw/zinc/43/50/23/649435023.db2.gz OILJUDIYWMEYAQ-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc(C[N@H+]2Cc3c[nH]nc3[C@H](C)C2)cc1[N+](=O)[O-] ZINC000931467507 649435026 /nfs/dbraw/zinc/43/50/26/649435026.db2.gz OILJUDIYWMEYAQ-LLVKDONJSA-N 1 2 286.335 2.746 20 5 CFBDLO Nc1cc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc[nH+]1 ZINC001167616461 770993631 /nfs/dbraw/zinc/99/36/31/770993631.db2.gz IUMBFBOMAPJENV-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225664975 775549150 /nfs/dbraw/zinc/54/91/50/775549150.db2.gz VPRBWYGWJDTMRB-UHFFFAOYSA-N 1 2 268.288 2.595 20 5 CFBDLO CC(C)[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123113529 776044353 /nfs/dbraw/zinc/04/43/53/776044353.db2.gz KZNVTSFIWFJBBH-UHFFFAOYSA-N 1 2 274.324 2.659 20 5 CFBDLO CC(C)[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000123113529 776044358 /nfs/dbraw/zinc/04/43/58/776044358.db2.gz KZNVTSFIWFJBBH-UHFFFAOYSA-N 1 2 274.324 2.659 20 5 CFBDLO CC(C)[NH+]1CC(Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256294 776435685 /nfs/dbraw/zinc/43/56/85/776435685.db2.gz UYMSKTZMFLTIQK-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO c1cnc2c(c1)ccc1ccc(C[NH+]3CCOCC3)nc12 ZINC001232218980 777479010 /nfs/dbraw/zinc/47/90/10/777479010.db2.gz JNJUJKVXNQILAD-UHFFFAOYSA-N 1 2 279.343 2.615 20 5 CFBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124761749 187152354 /nfs/dbraw/zinc/15/23/54/187152354.db2.gz MAVBCLKBEVHBBO-SECBINFHSA-N 1 2 280.715 2.945 20 5 CFBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595399640 349617218 /nfs/dbraw/zinc/61/72/18/349617218.db2.gz DYNRLDSORZTJOC-GFCCVEGCSA-N 1 2 290.323 2.869 20 5 CFBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595399640 349617220 /nfs/dbraw/zinc/61/72/20/349617220.db2.gz DYNRLDSORZTJOC-GFCCVEGCSA-N 1 2 290.323 2.869 20 5 CFBDLO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000125516779 187189105 /nfs/dbraw/zinc/18/91/05/187189105.db2.gz AXEFDWSDDWZFFN-DYLGSBMWSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000125516779 187189106 /nfs/dbraw/zinc/18/91/06/187189106.db2.gz AXEFDWSDDWZFFN-DYLGSBMWSA-N 1 2 276.336 2.719 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000442886852 529407169 /nfs/dbraw/zinc/40/71/69/529407169.db2.gz UVSCSSIHMVTDMT-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000442886852 529407172 /nfs/dbraw/zinc/40/71/72/529407172.db2.gz UVSCSSIHMVTDMT-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468758 349637032 /nfs/dbraw/zinc/63/70/32/349637032.db2.gz LFUZMWPINNSNLT-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000595468758 349637035 /nfs/dbraw/zinc/63/70/35/349637035.db2.gz LFUZMWPINNSNLT-ZUZCIYMTSA-N 1 2 294.326 2.733 20 5 CFBDLO Cc1noc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595545494 349656563 /nfs/dbraw/zinc/65/65/63/349656563.db2.gz IEVAUXCKVVJVDE-UHFFFAOYSA-N 1 2 297.355 2.669 20 5 CFBDLO Cc1noc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595545494 349656564 /nfs/dbraw/zinc/65/65/64/349656564.db2.gz IEVAUXCKVVJVDE-UHFFFAOYSA-N 1 2 297.355 2.669 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618401 349678010 /nfs/dbraw/zinc/67/80/10/349678010.db2.gz OYKYVSKCNSTLEW-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618401 349678012 /nfs/dbraw/zinc/67/80/12/349678012.db2.gz OYKYVSKCNSTLEW-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595781891 349732003 /nfs/dbraw/zinc/73/20/03/349732003.db2.gz UZLQCPVGQZSWRC-ZJUUUORDSA-N 1 2 270.354 2.656 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595781891 349732006 /nfs/dbraw/zinc/73/20/06/349732006.db2.gz UZLQCPVGQZSWRC-ZJUUUORDSA-N 1 2 270.354 2.656 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nccnc2C1 ZINC000595862888 349757883 /nfs/dbraw/zinc/75/78/83/349757883.db2.gz IBSCNNBNLGGJEE-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nccnc2C1 ZINC000595862888 349757888 /nfs/dbraw/zinc/75/78/88/349757888.db2.gz IBSCNNBNLGGJEE-LBPRGKRZSA-N 1 2 298.346 2.813 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC(C)(C)C1 ZINC000075589087 347086140 /nfs/dbraw/zinc/08/61/40/347086140.db2.gz CJPAMCYIJSYGPF-LLVKDONJSA-N 1 2 264.325 2.767 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC(C)(C)C1 ZINC000075589087 347086142 /nfs/dbraw/zinc/08/61/42/347086142.db2.gz CJPAMCYIJSYGPF-LLVKDONJSA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]4COC[C@@H]4C3)c2c1 ZINC000596526415 349930637 /nfs/dbraw/zinc/93/06/37/349930637.db2.gz DQKGZHNAJGJQSS-OLZOCXBDSA-N 1 2 299.330 2.616 20 5 CFBDLO CC(=O)c1ccc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596544811 349937253 /nfs/dbraw/zinc/93/72/53/349937253.db2.gz UCCVBMCIQSCLNC-SECBINFHSA-N 1 2 288.307 2.704 20 5 CFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000060380067 346664157 /nfs/dbraw/zinc/66/41/57/346664157.db2.gz GOKVUDXWNRFPFW-JTQLQIEISA-N 1 2 278.287 2.679 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccco1 ZINC000061783375 346683887 /nfs/dbraw/zinc/68/38/87/346683887.db2.gz NWBWWRFSOPUGMV-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccco1 ZINC000061783375 346683888 /nfs/dbraw/zinc/68/38/88/346683888.db2.gz NWBWWRFSOPUGMV-UHFFFAOYSA-N 1 2 276.292 2.828 20 5 CFBDLO Cc1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000080570469 347366048 /nfs/dbraw/zinc/36/60/48/347366048.db2.gz DVMKMBSDWHLRMW-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000080921822 347385404 /nfs/dbraw/zinc/38/54/04/347385404.db2.gz SEXWBGQLTKBPBS-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000080921822 347385407 /nfs/dbraw/zinc/38/54/07/347385407.db2.gz SEXWBGQLTKBPBS-UHFFFAOYSA-N 1 2 278.333 2.994 20 5 CFBDLO Cc1cccn2cc(CNc3ccc([N+](=O)[O-])nc3)[nH+]c12 ZINC000091628290 347594196 /nfs/dbraw/zinc/59/41/96/347594196.db2.gz LTFDNJVVEQNSEC-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000093604678 347679915 /nfs/dbraw/zinc/67/99/15/347679915.db2.gz ODKSQJUDNIJCLV-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000093604678 347679916 /nfs/dbraw/zinc/67/99/16/347679916.db2.gz ODKSQJUDNIJCLV-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093869077 347687175 /nfs/dbraw/zinc/68/71/75/347687175.db2.gz KVDYCYHUNQFOGC-AWEZNQCLSA-N 1 2 296.392 2.874 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000093869077 347687177 /nfs/dbraw/zinc/68/71/77/347687177.db2.gz KVDYCYHUNQFOGC-AWEZNQCLSA-N 1 2 296.392 2.874 20 5 CFBDLO CNc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000111044465 347752253 /nfs/dbraw/zinc/75/22/53/347752253.db2.gz QIRYKCRVGJUVKD-UHFFFAOYSA-N 1 2 286.291 2.592 20 5 CFBDLO C[C@H]1CSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587552 348099079 /nfs/dbraw/zinc/09/90/79/348099079.db2.gz VTUPIULKQGZRGY-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1CSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587552 348099081 /nfs/dbraw/zinc/09/90/81/348099081.db2.gz VTUPIULKQGZRGY-VIFPVBQESA-N 1 2 270.329 2.671 20 5 CFBDLO Cc1noc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773248 348750637 /nfs/dbraw/zinc/75/06/37/348750637.db2.gz UGXAEWWMKKFBHX-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO Cc1noc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773248 348750641 /nfs/dbraw/zinc/75/06/41/348750641.db2.gz UGXAEWWMKKFBHX-SNVBAGLBSA-N 1 2 290.323 2.522 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(C(F)F)C3)c2c1 ZINC000591151074 348993612 /nfs/dbraw/zinc/99/36/12/348993612.db2.gz DFFGTMVSYHBIRZ-UHFFFAOYSA-N 1 2 279.246 2.844 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC([C@@H]4CCOC4)C3)c2c1 ZINC000591159709 348994744 /nfs/dbraw/zinc/99/47/44/348994744.db2.gz OSXALQIPOXMPSK-GFCCVEGCSA-N 1 2 299.330 2.616 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592187016 349096917 /nfs/dbraw/zinc/09/69/17/349096917.db2.gz YTVLEXPWHTUKST-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000592187016 349096919 /nfs/dbraw/zinc/09/69/19/349096919.db2.gz YTVLEXPWHTUKST-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593062799 349199481 /nfs/dbraw/zinc/19/94/81/349199481.db2.gz JABUAQSEZBCQTK-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593062799 349199483 /nfs/dbraw/zinc/19/94/83/349199483.db2.gz JABUAQSEZBCQTK-SMDDNHRTSA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1C ZINC000414438195 233252742 /nfs/dbraw/zinc/25/27/42/233252742.db2.gz UZGVLRGOYNPGDG-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2ccon2)cc1[N+](=O)[O-] ZINC000271208938 191001317 /nfs/dbraw/zinc/00/13/17/191001317.db2.gz TVMLGEBNDXYSOR-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1[N+](=O)[O-] ZINC000271208938 191001320 /nfs/dbraw/zinc/00/13/20/191001320.db2.gz TVMLGEBNDXYSOR-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000598587701 350286299 /nfs/dbraw/zinc/28/62/99/350286299.db2.gz TVXQWZLDWLDCPO-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000598587701 350286304 /nfs/dbraw/zinc/28/63/04/350286304.db2.gz TVXQWZLDWLDCPO-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO CO[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599039593 350362943 /nfs/dbraw/zinc/36/29/43/350362943.db2.gz BGUVBXLVDCRZFQ-GFCCVEGCSA-N 1 2 287.319 2.758 20 5 CFBDLO CCC[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044938 350364149 /nfs/dbraw/zinc/36/41/49/350364149.db2.gz VMKXYUZPPVFZGM-NSHDSACASA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CO1 ZINC000599092952 350374913 /nfs/dbraw/zinc/37/49/13/350374913.db2.gz LDVCTXBXAIUOQU-MWLCHTKSSA-N 1 2 273.292 2.732 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000599110345 350377442 /nfs/dbraw/zinc/37/74/42/350377442.db2.gz RPQPOXNHJPSGAP-OLZOCXBDSA-N 1 2 299.330 2.616 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553378 350455050 /nfs/dbraw/zinc/45/50/50/350455050.db2.gz ROSNOWYSBRWYOR-OLZOCXBDSA-N 1 2 294.376 2.770 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000107293760 186167410 /nfs/dbraw/zinc/16/74/10/186167410.db2.gz VVXWXTSGKUXWFY-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO Cc1c[nH]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH+]1 ZINC000600111116 350511193 /nfs/dbraw/zinc/51/11/93/350511193.db2.gz FBUQVMIGOYYWIL-UHFFFAOYSA-N 1 2 286.335 2.791 20 5 CFBDLO CC(C)Cn1cc[nH+]c1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601118581 350673032 /nfs/dbraw/zinc/67/30/32/350673032.db2.gz FPKXIKVSHRMTFA-UHFFFAOYSA-N 1 2 293.302 2.594 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000602685654 350978228 /nfs/dbraw/zinc/97/82/28/350978228.db2.gz JQIMRPOKKOFSGW-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000602685654 350978230 /nfs/dbraw/zinc/97/82/30/350978230.db2.gz JQIMRPOKKOFSGW-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882278 351056904 /nfs/dbraw/zinc/05/69/04/351056904.db2.gz UIQALAWDHILTNQ-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602882278 351056909 /nfs/dbraw/zinc/05/69/09/351056909.db2.gz UIQALAWDHILTNQ-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)F ZINC000603427121 351162432 /nfs/dbraw/zinc/16/24/32/351162432.db2.gz BFGGXQLJHKYSOV-GMSGAONNSA-N 1 2 256.252 2.825 20 5 CFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000604484755 351214920 /nfs/dbraw/zinc/21/49/20/351214920.db2.gz UOIBCYRMXMQOSQ-UHFFFAOYSA-N 1 2 298.258 2.830 20 5 CFBDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610276208 351546765 /nfs/dbraw/zinc/54/67/65/351546765.db2.gz CZKYUZSLHWMKNZ-AWEZNQCLSA-N 1 2 286.335 2.941 20 5 CFBDLO C[N@H+](CCOC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610859810 351615881 /nfs/dbraw/zinc/61/58/81/351615881.db2.gz NFFBQSMXNMPZOL-UHFFFAOYSA-N 1 2 284.331 2.981 20 5 CFBDLO C[N@@H+](CCOC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610859810 351615884 /nfs/dbraw/zinc/61/58/84/351615884.db2.gz NFFBQSMXNMPZOL-UHFFFAOYSA-N 1 2 284.331 2.981 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501291 351698515 /nfs/dbraw/zinc/69/85/15/351698515.db2.gz AIHPAWNYDUKRFB-GWCFXTLKSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501291 351698520 /nfs/dbraw/zinc/69/85/20/351698520.db2.gz AIHPAWNYDUKRFB-GWCFXTLKSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611502425 351699187 /nfs/dbraw/zinc/69/91/87/351699187.db2.gz SDMJIRCLNJTFBT-ZYHUDNBSSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000611502425 351699189 /nfs/dbraw/zinc/69/91/89/351699189.db2.gz SDMJIRCLNJTFBT-ZYHUDNBSSA-N 1 2 282.315 2.783 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1F ZINC000611502408 351699443 /nfs/dbraw/zinc/69/94/43/351699443.db2.gz RZTWXVRLWZJELG-MWLCHTKSSA-N 1 2 293.298 2.916 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1F ZINC000611502408 351699445 /nfs/dbraw/zinc/69/94/45/351699445.db2.gz RZTWXVRLWZJELG-MWLCHTKSSA-N 1 2 293.298 2.916 20 5 CFBDLO COc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1[N+](=O)[O-] ZINC000611516914 351702808 /nfs/dbraw/zinc/70/28/08/351702808.db2.gz BNRLQSXJOQKSCQ-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO Cc1ccncc1[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611293149 351665664 /nfs/dbraw/zinc/66/56/64/351665664.db2.gz RRJCATLWMOCPIW-NSHDSACASA-N 1 2 287.319 2.855 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NCc1[nH+]ccn1C ZINC000123655850 187102948 /nfs/dbraw/zinc/10/29/48/187102948.db2.gz LNKBSMYZRCFRNQ-UHFFFAOYSA-N 1 2 260.297 2.557 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381630 351948473 /nfs/dbraw/zinc/94/84/73/351948473.db2.gz LYTUQIBQHNJOIH-JOYOIKCWSA-N 1 2 280.299 2.727 20 5 CFBDLO COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000613381630 351948476 /nfs/dbraw/zinc/94/84/76/351948476.db2.gz LYTUQIBQHNJOIH-JOYOIKCWSA-N 1 2 280.299 2.727 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381632 351948878 /nfs/dbraw/zinc/94/88/78/351948878.db2.gz LYTUQIBQHNJOIH-SKDRFNHKSA-N 1 2 280.299 2.727 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000613381632 351948879 /nfs/dbraw/zinc/94/88/79/351948879.db2.gz LYTUQIBQHNJOIH-SKDRFNHKSA-N 1 2 280.299 2.727 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000614408604 352090944 /nfs/dbraw/zinc/09/09/44/352090944.db2.gz PZRFSLIRLOZELY-ABAIWWIYSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C2CC2)C1 ZINC000614408604 352090946 /nfs/dbraw/zinc/09/09/46/352090946.db2.gz PZRFSLIRLOZELY-ABAIWWIYSA-N 1 2 276.336 2.767 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cn[nH]c2C1 ZINC000615835175 352247192 /nfs/dbraw/zinc/24/71/92/352247192.db2.gz WZHOOLLSQMLUTC-GHXNOFRVSA-N 1 2 298.346 2.780 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cn[nH]c2C1 ZINC000615835175 352247196 /nfs/dbraw/zinc/24/71/96/352247196.db2.gz WZHOOLLSQMLUTC-GHXNOFRVSA-N 1 2 298.346 2.780 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000616152072 352292086 /nfs/dbraw/zinc/29/20/86/352292086.db2.gz JWMIFFWAPAITEQ-UHFFFAOYSA-N 1 2 287.319 2.636 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000616152072 352292089 /nfs/dbraw/zinc/29/20/89/352292089.db2.gz JWMIFFWAPAITEQ-UHFFFAOYSA-N 1 2 287.319 2.636 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271528063 191194213 /nfs/dbraw/zinc/19/42/13/191194213.db2.gz PGGRCLGDSKSXPH-NXEZZACHSA-N 1 2 289.339 2.687 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000618980263 352926000 /nfs/dbraw/zinc/92/60/00/352926000.db2.gz MPBBMYYFXDGTLU-LLVKDONJSA-N 1 2 291.332 2.709 20 5 CFBDLO Cc1nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc[nH+]1 ZINC000153639712 188094905 /nfs/dbraw/zinc/09/49/05/188094905.db2.gz SEWAKXKZYQGNME-UHFFFAOYSA-N 1 2 284.319 2.862 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156155725 188246189 /nfs/dbraw/zinc/24/61/89/188246189.db2.gz HWRDDZKKQBQMAO-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156155725 188246191 /nfs/dbraw/zinc/24/61/91/188246191.db2.gz HWRDDZKKQBQMAO-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000125435029 291081677 /nfs/dbraw/zinc/08/16/77/291081677.db2.gz JJIICVCRDPRBBW-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000125435029 291081681 /nfs/dbraw/zinc/08/16/81/291081681.db2.gz JJIICVCRDPRBBW-UHFFFAOYSA-N 1 2 292.335 2.512 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000273617860 192233529 /nfs/dbraw/zinc/23/35/29/192233529.db2.gz PWVZTDCAQBNSAT-MRVPVSSYSA-N 1 2 278.337 2.606 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294899349 199238479 /nfs/dbraw/zinc/23/84/79/199238479.db2.gz DQKYWOPKXNMJGU-UHFFFAOYSA-N 1 2 294.286 2.571 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000177567695 189057633 /nfs/dbraw/zinc/05/76/33/189057633.db2.gz ZDMLTDLYHJJSSC-AWEZNQCLSA-N 1 2 290.319 2.974 20 5 CFBDLO CC(C)[N@H+](Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320359 189185395 /nfs/dbraw/zinc/18/53/95/189185395.db2.gz YBJDHXLMKSAHOF-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO CC(C)[N@@H+](Cc1cnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320359 189185396 /nfs/dbraw/zinc/18/53/96/189185396.db2.gz YBJDHXLMKSAHOF-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO CC(C)[N@H+](Cc1c[nH]cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320359 189185397 /nfs/dbraw/zinc/18/53/97/189185397.db2.gz YBJDHXLMKSAHOF-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO CC(C)[N@@H+](Cc1c[nH]cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320359 189185398 /nfs/dbraw/zinc/18/53/98/189185398.db2.gz YBJDHXLMKSAHOF-UHFFFAOYSA-N 1 2 274.324 2.729 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180437334 189255065 /nfs/dbraw/zinc/25/50/65/189255065.db2.gz NIRQGKDIITZENV-JTQLQIEISA-N 1 2 290.323 2.952 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCc1cn2ccccc2[nH+]1 ZINC000302004989 201294821 /nfs/dbraw/zinc/29/48/21/201294821.db2.gz UFOVIPYADFVDLD-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000428133059 239388698 /nfs/dbraw/zinc/38/86/98/239388698.db2.gz WFOSOERXVZQKKQ-UHFFFAOYSA-N 1 2 297.318 2.811 20 5 CFBDLO Cn1c[nH+]c2cc(Nc3ncc([N+](=O)[O-])s3)ccc21 ZINC000443513422 241070655 /nfs/dbraw/zinc/07/06/55/241070655.db2.gz ZMTQQIJXXNXFAS-UHFFFAOYSA-N 1 2 275.293 2.682 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000446902552 241335409 /nfs/dbraw/zinc/33/54/09/241335409.db2.gz OJISXIOOQGEEQJ-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449582696 242047912 /nfs/dbraw/zinc/04/79/12/242047912.db2.gz GZOWFKIKCCRJAT-GFCCVEGCSA-N 1 2 296.367 2.529 20 5 CFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000449582696 242047919 /nfs/dbraw/zinc/04/79/19/242047919.db2.gz GZOWFKIKCCRJAT-GFCCVEGCSA-N 1 2 296.367 2.529 20 5 CFBDLO Cc1ncccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459623355 245247326 /nfs/dbraw/zinc/24/73/26/245247326.db2.gz RGTUYYZFLZEXRG-UHFFFAOYSA-N 1 2 299.330 2.561 20 5 CFBDLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cccc([N+](=O)[O-])c1 ZINC000038011201 372763256 /nfs/dbraw/zinc/76/32/56/372763256.db2.gz NHMKLASNCUXTSN-AWEZNQCLSA-N 1 2 274.324 2.867 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000492262047 246236096 /nfs/dbraw/zinc/23/60/96/246236096.db2.gz PCLVIRQJDJKJJR-VMPITWQZSA-N 1 2 297.314 2.680 20 5 CFBDLO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000080240364 374645631 /nfs/dbraw/zinc/64/56/31/374645631.db2.gz UJMQJMONXRDXMH-ZDUSSCGKSA-N 1 2 290.319 2.974 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000093508629 375258392 /nfs/dbraw/zinc/25/83/92/375258392.db2.gz FAMQHSFIDCRLBD-CQSZACIVSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000093508629 375258399 /nfs/dbraw/zinc/25/83/99/375258399.db2.gz FAMQHSFIDCRLBD-CQSZACIVSA-N 1 2 278.352 2.904 20 5 CFBDLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000101631060 375647176 /nfs/dbraw/zinc/64/71/76/375647176.db2.gz MORDVNDERNOJKZ-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000112356230 375911968 /nfs/dbraw/zinc/91/19/68/375911968.db2.gz CTMDBIBNWWNTRO-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000112356230 375911971 /nfs/dbraw/zinc/91/19/71/375911971.db2.gz CTMDBIBNWWNTRO-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000112552837 375930250 /nfs/dbraw/zinc/93/02/50/375930250.db2.gz GNTYQUIFESDRSE-JTQLQIEISA-N 1 2 258.281 2.866 20 5 CFBDLO Cc1c(C[N@@H+]2CCOCC23CCC3)cccc1[N+](=O)[O-] ZINC000135537829 378143457 /nfs/dbraw/zinc/14/34/57/378143457.db2.gz IHKGXGAJWNUALG-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO Cc1c(C[N@H+]2CCOCC23CCC3)cccc1[N+](=O)[O-] ZINC000135537829 378143461 /nfs/dbraw/zinc/14/34/61/378143461.db2.gz IHKGXGAJWNUALG-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135588755 378147118 /nfs/dbraw/zinc/14/71/18/378147118.db2.gz FFDKFCBFCQXLGJ-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000135588755 378147121 /nfs/dbraw/zinc/14/71/21/378147121.db2.gz FFDKFCBFCQXLGJ-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO C[C@H]1C[C@H](C)C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330558835 378583789 /nfs/dbraw/zinc/58/37/89/378583789.db2.gz AJROTDPBQFMUNI-QWRGUYRKSA-N 1 2 264.325 2.778 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331112971 378635762 /nfs/dbraw/zinc/63/57/62/378635762.db2.gz MAJFNLMJCCCEDE-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000331112971 378635769 /nfs/dbraw/zinc/63/57/69/378635769.db2.gz MAJFNLMJCCCEDE-NSHDSACASA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H](c1ccccn1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159619997 378720135 /nfs/dbraw/zinc/72/01/35/378720135.db2.gz LEVIHVAAJGFFRM-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1ccccn1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159619997 378720137 /nfs/dbraw/zinc/72/01/37/378720137.db2.gz LEVIHVAAJGFFRM-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)C(F)(F)F ZINC000341169415 380812257 /nfs/dbraw/zinc/81/22/57/380812257.db2.gz WZOXORTWDZFVBZ-KCJUWKMLSA-N 1 2 292.257 2.511 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000341169415 380812260 /nfs/dbraw/zinc/81/22/60/380812260.db2.gz WZOXORTWDZFVBZ-KCJUWKMLSA-N 1 2 292.257 2.511 20 5 CFBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368483280 381038780 /nfs/dbraw/zinc/03/87/80/381038780.db2.gz RTXLSBMDSVHEFT-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000368483280 381038786 /nfs/dbraw/zinc/03/87/86/381038786.db2.gz RTXLSBMDSVHEFT-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411872987 381044113 /nfs/dbraw/zinc/04/41/13/381044113.db2.gz KPFZNKATJMNIOB-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411872987 381044116 /nfs/dbraw/zinc/04/41/16/381044116.db2.gz KPFZNKATJMNIOB-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000341575103 381096961 /nfs/dbraw/zinc/09/69/61/381096961.db2.gz QSCPWYMOSJIBNL-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000354393842 381241574 /nfs/dbraw/zinc/24/15/74/381241574.db2.gz QQEIAAIIRGHEFO-UHFFFAOYSA-N 1 2 286.266 2.994 20 5 CFBDLO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000184574317 381436692 /nfs/dbraw/zinc/43/66/92/381436692.db2.gz GGGSSKLFQUFLDK-ZDUSSCGKSA-N 1 2 290.319 2.974 20 5 CFBDLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000371321656 381590689 /nfs/dbraw/zinc/59/06/89/381590689.db2.gz BWSRNSBUABOPOE-MRXNPFEDSA-N 1 2 297.358 2.871 20 5 CFBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000371321656 381590693 /nfs/dbraw/zinc/59/06/93/381590693.db2.gz BWSRNSBUABOPOE-MRXNPFEDSA-N 1 2 297.358 2.871 20 5 CFBDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000371321655 381591281 /nfs/dbraw/zinc/59/12/81/381591281.db2.gz BWSRNSBUABOPOE-INIZCTEOSA-N 1 2 297.358 2.871 20 5 CFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000371321655 381591286 /nfs/dbraw/zinc/59/12/86/381591286.db2.gz BWSRNSBUABOPOE-INIZCTEOSA-N 1 2 297.358 2.871 20 5 CFBDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000343681845 381885317 /nfs/dbraw/zinc/88/53/17/381885317.db2.gz GIMZXLBVHGWWRS-VIFPVBQESA-N 1 2 292.364 2.860 20 5 CFBDLO C[N@H+](Cc1ccco1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349619591 381974470 /nfs/dbraw/zinc/97/44/70/381974470.db2.gz YOEAUHGPZANQQV-UHFFFAOYSA-N 1 2 262.265 2.525 20 5 CFBDLO C[N@@H+](Cc1ccco1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349619591 381974475 /nfs/dbraw/zinc/97/44/75/381974475.db2.gz YOEAUHGPZANQQV-UHFFFAOYSA-N 1 2 262.265 2.525 20 5 CFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000163335112 322375163 /nfs/dbraw/zinc/37/51/63/322375163.db2.gz SMZZPXWWILQGHM-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000163335112 322375165 /nfs/dbraw/zinc/37/51/65/322375165.db2.gz SMZZPXWWILQGHM-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CCOc1cc(NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000302771867 382315212 /nfs/dbraw/zinc/31/52/12/382315212.db2.gz NFVDMFVKYCGROQ-UHFFFAOYSA-N 1 2 288.307 2.583 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353177180 382515568 /nfs/dbraw/zinc/51/55/68/382515568.db2.gz VPEFPOSQFYTVAK-GFCCVEGCSA-N 1 2 270.279 2.867 20 5 CFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353177180 382515573 /nfs/dbraw/zinc/51/55/73/382515573.db2.gz VPEFPOSQFYTVAK-GFCCVEGCSA-N 1 2 270.279 2.867 20 5 CFBDLO Cc1cccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)n1 ZINC000353748905 382624744 /nfs/dbraw/zinc/62/47/44/382624744.db2.gz SXBCXYZCCRVQRK-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)n1 ZINC000353748905 382624747 /nfs/dbraw/zinc/62/47/47/382624747.db2.gz SXBCXYZCCRVQRK-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1cccc2[nH+]c(CNc3ncc([N+](=O)[O-])s3)cn21 ZINC000190326512 382662196 /nfs/dbraw/zinc/66/21/96/382662196.db2.gz XMKKSFDLLIVANY-UHFFFAOYSA-N 1 2 289.320 2.620 20 5 CFBDLO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])s3)[nH+]c12 ZINC000192517909 382709748 /nfs/dbraw/zinc/70/97/48/382709748.db2.gz SHFBIGJQQJEVST-UHFFFAOYSA-N 1 2 289.320 2.620 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccno1)C1CC1 ZINC000533539169 382904250 /nfs/dbraw/zinc/90/42/50/382904250.db2.gz DLMINRDVGFNXRQ-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccno1)C1CC1 ZINC000533539169 382904251 /nfs/dbraw/zinc/90/42/51/382904251.db2.gz DLMINRDVGFNXRQ-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338962808 383102490 /nfs/dbraw/zinc/10/24/90/383102490.db2.gz IDESKPCWNFOJSB-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338962808 383102493 /nfs/dbraw/zinc/10/24/93/383102493.db2.gz IDESKPCWNFOJSB-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000339004003 383116600 /nfs/dbraw/zinc/11/66/00/383116600.db2.gz PPLOLTXQBPGCMZ-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000517240071 383171834 /nfs/dbraw/zinc/17/18/34/383171834.db2.gz ZSKKQZTUONMXSP-SECBINFHSA-N 1 2 252.314 2.825 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC1(F)F ZINC000339203956 383183465 /nfs/dbraw/zinc/18/34/65/383183465.db2.gz NOXJLEUVEFRZNW-SECBINFHSA-N 1 2 286.278 2.778 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC1(F)F ZINC000339203956 383183466 /nfs/dbraw/zinc/18/34/66/383183466.db2.gz NOXJLEUVEFRZNW-SECBINFHSA-N 1 2 286.278 2.778 20 5 CFBDLO COc1cc(C)[nH+]c(COc2cccc([N+](=O)[O-])c2)c1 ZINC000339743796 383303915 /nfs/dbraw/zinc/30/39/15/383303915.db2.gz XSECWKHXORLWTB-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO COc1cc(C)[nH+]c(COc2ccccc2[N+](=O)[O-])c1 ZINC000339744174 383304953 /nfs/dbraw/zinc/30/49/53/383304953.db2.gz ZQUGJRUYDRWMBE-UHFFFAOYSA-N 1 2 274.276 2.886 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nn(C)cc1Cl ZINC000449481709 383322208 /nfs/dbraw/zinc/32/22/08/383322208.db2.gz VFLNCXVNSFCUJU-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000524759059 383383072 /nfs/dbraw/zinc/38/30/72/383383072.db2.gz WLAKCCNBDAUUCS-NSHDSACASA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000524759059 383383077 /nfs/dbraw/zinc/38/30/77/383383077.db2.gz WLAKCCNBDAUUCS-NSHDSACASA-N 1 2 298.346 2.813 20 5 CFBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OCC ZINC000429712894 383562542 /nfs/dbraw/zinc/56/25/42/383562542.db2.gz HXSNDLFCMKEVIK-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)OCC ZINC000429712894 383562547 /nfs/dbraw/zinc/56/25/47/383562547.db2.gz HXSNDLFCMKEVIK-LBPRGKRZSA-N 1 2 294.351 2.758 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000264608278 383762339 /nfs/dbraw/zinc/76/23/39/383762339.db2.gz BJFPLIINAHQTDO-UHFFFAOYSA-N 1 2 270.292 2.874 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc[nH]n1 ZINC000436431436 383817865 /nfs/dbraw/zinc/81/78/65/383817865.db2.gz LKKJTPRCNNOLFP-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc[nH]n1 ZINC000436431436 383817868 /nfs/dbraw/zinc/81/78/68/383817868.db2.gz LKKJTPRCNNOLFP-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944907 386086611 /nfs/dbraw/zinc/08/66/11/386086611.db2.gz STEQEBCFGZFDFH-NEPJUHHUSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944907 386086615 /nfs/dbraw/zinc/08/66/15/386086615.db2.gz STEQEBCFGZFDFH-NEPJUHHUSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276971014 386096124 /nfs/dbraw/zinc/09/61/24/386096124.db2.gz WWRFFMLRTAPEKZ-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2[C@H](C)COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276990815 386100451 /nfs/dbraw/zinc/10/04/51/386100451.db2.gz ZZVZNKFUSKEVBL-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+]2[C@H](C)COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276990815 386100455 /nfs/dbraw/zinc/10/04/55/386100455.db2.gz ZZVZNKFUSKEVBL-TXEJJXNPSA-N 1 2 294.351 2.603 20 5 CFBDLO COc1cc(C)[nH+]c(CN2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000411537208 393723940 /nfs/dbraw/zinc/72/39/40/393723940.db2.gz RPHVJTIMIPYFKT-UHFFFAOYSA-N 1 2 299.330 2.870 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420961450 394141440 /nfs/dbraw/zinc/14/14/40/394141440.db2.gz SIKHIXLHLZRFFB-GASCZTMLSA-N 1 2 278.352 2.984 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420961450 394141442 /nfs/dbraw/zinc/14/14/42/394141442.db2.gz SIKHIXLHLZRFFB-GASCZTMLSA-N 1 2 278.352 2.984 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000296096061 394306041 /nfs/dbraw/zinc/30/60/41/394306041.db2.gz RNTZCHMPMFJHCB-ZDUSSCGKSA-N 1 2 252.289 2.919 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000296096061 394306045 /nfs/dbraw/zinc/30/60/45/394306045.db2.gz RNTZCHMPMFJHCB-ZDUSSCGKSA-N 1 2 252.289 2.919 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000540953423 394659431 /nfs/dbraw/zinc/65/94/31/394659431.db2.gz PWLMNQIAIBAUQL-VIFPVBQESA-N 1 2 292.364 2.914 20 5 CFBDLO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000541732513 394682061 /nfs/dbraw/zinc/68/20/61/394682061.db2.gz NFCKUTFDMBFCRP-LBPRGKRZSA-N 1 2 274.324 2.569 20 5 CFBDLO CC(C)OC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555353734 394972148 /nfs/dbraw/zinc/97/21/48/394972148.db2.gz JIHNIDCROVIYCG-UHFFFAOYSA-N 1 2 294.351 2.690 20 5 CFBDLO Cc1ccncc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000355603841 155052660 /nfs/dbraw/zinc/05/26/60/155052660.db2.gz YQZFSENAQCHFHR-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccncc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000355603841 155052664 /nfs/dbraw/zinc/05/26/64/155052664.db2.gz YQZFSENAQCHFHR-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCC3)cc1F ZINC000374863397 157165908 /nfs/dbraw/zinc/16/59/08/157165908.db2.gz OGXNCMIGDVFQDY-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCC3)cc1F ZINC000374863397 157165910 /nfs/dbraw/zinc/16/59/10/157165910.db2.gz OGXNCMIGDVFQDY-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO C[C@H]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123466 300068238 /nfs/dbraw/zinc/06/82/38/300068238.db2.gz FYGHUAIBWMCBQO-JQWIXIFHSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123466 300068243 /nfs/dbraw/zinc/06/82/43/300068243.db2.gz FYGHUAIBWMCBQO-JQWIXIFHSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350392076 163076483 /nfs/dbraw/zinc/07/64/83/163076483.db2.gz NBZPYHHLUSHGOA-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350392076 163076486 /nfs/dbraw/zinc/07/64/86/163076486.db2.gz NBZPYHHLUSHGOA-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352771298 163229779 /nfs/dbraw/zinc/22/97/79/163229779.db2.gz NYLALASEZRQHSE-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000352771298 163229780 /nfs/dbraw/zinc/22/97/80/163229780.db2.gz NYLALASEZRQHSE-ZDUSSCGKSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000037401108 173178405 /nfs/dbraw/zinc/17/84/05/173178405.db2.gz MZJXYZUQQDSPDJ-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCCCCn1cc[nH+]c1 ZINC000045108227 175308874 /nfs/dbraw/zinc/30/88/74/175308874.db2.gz SPYPFPHQTBJOHS-UHFFFAOYSA-N 1 2 260.297 2.684 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330445693 277260706 /nfs/dbraw/zinc/26/07/06/277260706.db2.gz HEZSIEQIVYNGAS-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330445693 277260707 /nfs/dbraw/zinc/26/07/07/277260707.db2.gz HEZSIEQIVYNGAS-CQSZACIVSA-N 1 2 294.351 2.547 20 5 CFBDLO CO[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413119344 277646398 /nfs/dbraw/zinc/64/63/98/277646398.db2.gz NTZCCHRJTYYTNQ-CYBMUJFWSA-N 1 2 287.319 2.758 20 5 CFBDLO CC(C)n1ncnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000279744290 278154045 /nfs/dbraw/zinc/15/40/45/278154045.db2.gz PIRJIODDKXXBSW-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1nccc1[N+](=O)[O-] ZINC000292575399 279072196 /nfs/dbraw/zinc/07/21/96/279072196.db2.gz FJWMTRJIZWOKPL-UHFFFAOYSA-N 1 2 260.297 2.666 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758110 280369269 /nfs/dbraw/zinc/36/92/69/280369269.db2.gz LESWYTCMMPSZMU-JIMOISOXSA-N 1 2 262.309 2.579 20 5 CFBDLO O=[N+]([O-])c1ccccc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364039335 280374910 /nfs/dbraw/zinc/37/49/10/280374910.db2.gz XOXRJGQHSYTTMA-GFCCVEGCSA-N 1 2 258.281 2.659 20 5 CFBDLO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330435200 288231779 /nfs/dbraw/zinc/23/17/79/288231779.db2.gz AQRPBKIAPWGTAJ-GXFFZTMASA-N 1 2 264.325 2.969 20 5 CFBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000070942528 280485558 /nfs/dbraw/zinc/48/55/58/280485558.db2.gz YXBYUQUYBPQAFR-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255671487 281105134 /nfs/dbraw/zinc/10/51/34/281105134.db2.gz ZNNVAGSQYKZXSU-SREVYHEPSA-N 1 2 283.287 2.950 20 5 CFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]c(C)cc1C ZINC000396989059 281199677 /nfs/dbraw/zinc/19/96/77/281199677.db2.gz UAZMSDYOKXLIJC-UHFFFAOYSA-N 1 2 289.339 2.744 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCc1ccc(C)[nH+]c1 ZINC000565220339 290284413 /nfs/dbraw/zinc/28/44/13/290284413.db2.gz CRRHFTAFEVYHQL-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446063742 295255118 /nfs/dbraw/zinc/25/51/18/295255118.db2.gz RQSNFHSVTJVJOL-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446063742 295255119 /nfs/dbraw/zinc/25/51/19/295255119.db2.gz RQSNFHSVTJVJOL-TUAOUCFPSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000582484688 325208754 /nfs/dbraw/zinc/20/87/54/325208754.db2.gz MEDNLESSRGCCAC-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000582484688 325208756 /nfs/dbraw/zinc/20/87/56/325208756.db2.gz MEDNLESSRGCCAC-LBPRGKRZSA-N 1 2 276.336 2.738 20 5 CFBDLO Cc1c(C[N@H+](C)Cc2nccs2)cccc1[N+](=O)[O-] ZINC000175058985 533844970 /nfs/dbraw/zinc/84/49/70/533844970.db2.gz JVQMMRKFBFQNAE-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1c(C[N@@H+](C)Cc2nccs2)cccc1[N+](=O)[O-] ZINC000175058985 533844974 /nfs/dbraw/zinc/84/49/74/533844974.db2.gz JVQMMRKFBFQNAE-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000414369426 533905410 /nfs/dbraw/zinc/90/54/10/533905410.db2.gz JEYPLKOGOCVHCI-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000414369426 533905415 /nfs/dbraw/zinc/90/54/15/533905415.db2.gz JEYPLKOGOCVHCI-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000361183795 523523144 /nfs/dbraw/zinc/52/31/44/523523144.db2.gz DCXGUTWSPYAZBX-LLVKDONJSA-N 1 2 294.351 2.712 20 5 CFBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000361183795 523523154 /nfs/dbraw/zinc/52/31/54/523523154.db2.gz DCXGUTWSPYAZBX-LLVKDONJSA-N 1 2 294.351 2.712 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000077323937 525249043 /nfs/dbraw/zinc/24/90/43/525249043.db2.gz CDOWYIFGXVTHSK-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO Cc1cc[nH+]c(C)c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000362397831 525637210 /nfs/dbraw/zinc/63/72/10/525637210.db2.gz SYSODNVPMYBKOX-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)F)CC1 ZINC000127139987 526078774 /nfs/dbraw/zinc/07/87/74/526078774.db2.gz FZGFHVZSWQXBCH-NSHDSACASA-N 1 2 299.321 2.539 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ncccc3C2)cc1F ZINC000366315812 527350473 /nfs/dbraw/zinc/35/04/73/527350473.db2.gz DBPPORCBXLJVGX-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ncccc3C2)cc1F ZINC000366315812 527350477 /nfs/dbraw/zinc/35/04/77/527350477.db2.gz DBPPORCBXLJVGX-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO CC[C@H](C)[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144401 529225041 /nfs/dbraw/zinc/22/50/41/529225041.db2.gz TWKKAPRKRLUVTF-HZMBPMFUSA-N 1 2 289.335 2.962 20 5 CFBDLO Cn1c[nH+]c(CCNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000313479861 618990633 /nfs/dbraw/zinc/99/06/33/618990633.db2.gz JFVVUEGDTWAJHW-UHFFFAOYSA-N 1 2 280.715 2.636 20 5 CFBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000925312997 620244757 /nfs/dbraw/zinc/24/47/57/620244757.db2.gz KKDNUQZOAWFPBO-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO Cc1cc(C)c(C(=O)NCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000906431597 621984867 /nfs/dbraw/zinc/98/48/67/621984867.db2.gz WPOATVBRYAARGD-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCc2[nH+]c[nH]c2C1 ZINC000820580993 622707617 /nfs/dbraw/zinc/70/76/17/622707617.db2.gz KHMHRYYELLBVLC-UHFFFAOYSA-N 1 2 278.699 2.534 20 5 CFBDLO Cc1nc(NCc2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC000756974442 626542974 /nfs/dbraw/zinc/54/29/74/626542974.db2.gz OJGJCJFMQFLTQR-UHFFFAOYSA-N 1 2 278.699 2.959 20 5 CFBDLO CC(C)CC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000760397426 626742481 /nfs/dbraw/zinc/74/24/81/626742481.db2.gz DZTUMSFOPFNAER-UHFFFAOYSA-N 1 2 266.345 2.507 20 5 CFBDLO C[N@H+](CCOC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821368 634546817 /nfs/dbraw/zinc/54/68/17/634546817.db2.gz SVEBQANVQXQTCS-UHFFFAOYSA-N 1 2 294.685 2.919 20 5 CFBDLO C[N@@H+](CCOC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000851821368 634546825 /nfs/dbraw/zinc/54/68/25/634546825.db2.gz SVEBQANVQXQTCS-UHFFFAOYSA-N 1 2 294.685 2.919 20 5 CFBDLO O=C(O[C@H]1C=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000780559444 628477220 /nfs/dbraw/zinc/47/72/20/628477220.db2.gz UZKQEDMGYHRTDQ-LBPRGKRZSA-N 1 2 299.286 2.656 20 5 CFBDLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791571673 629335199 /nfs/dbraw/zinc/33/51/99/629335199.db2.gz AZYIKTLTUXPIPC-IUCAKERBSA-N 1 2 297.742 2.669 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000840147409 631054058 /nfs/dbraw/zinc/05/40/58/631054058.db2.gz BDUMKMFVKBYDMJ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000840147409 631054062 /nfs/dbraw/zinc/05/40/62/631054062.db2.gz BDUMKMFVKBYDMJ-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000844445711 632215507 /nfs/dbraw/zinc/21/55/07/632215507.db2.gz FWYLMILLOLGLHO-NSHDSACASA-N 1 2 289.291 2.656 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCn2c[nH+]cc2C1 ZINC000845548519 632461384 /nfs/dbraw/zinc/46/13/84/632461384.db2.gz JWYRBMJPKUAFTK-UHFFFAOYSA-N 1 2 296.689 2.604 20 5 CFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000850507026 634022197 /nfs/dbraw/zinc/02/21/97/634022197.db2.gz DCEACOOOMLYCTK-UKRRQHHQSA-N 1 2 298.346 2.726 20 5 CFBDLO Cc1cc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])s1 ZINC000865927981 638662231 /nfs/dbraw/zinc/66/22/31/638662231.db2.gz MZLRAONUOUCHPK-JTQLQIEISA-N 1 2 287.360 2.811 20 5 CFBDLO Cc1cc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])s1 ZINC000865927981 638662234 /nfs/dbraw/zinc/66/22/34/638662234.db2.gz MZLRAONUOUCHPK-JTQLQIEISA-N 1 2 287.360 2.811 20 5 CFBDLO Nc1ccc2c(c1)OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000866691358 638866236 /nfs/dbraw/zinc/86/62/36/638866236.db2.gz PFTQWSWYHIYYDS-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO Nc1ccc2c(c1)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000866691358 638866237 /nfs/dbraw/zinc/86/62/37/638866237.db2.gz PFTQWSWYHIYYDS-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n(C)n1 ZINC000872070245 641601329 /nfs/dbraw/zinc/60/13/29/641601329.db2.gz SVUXUMUKQGYQON-JTQLQIEISA-N 1 2 292.314 2.627 20 5 CFBDLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1[N+](=O)[O-] ZINC000872128857 641656450 /nfs/dbraw/zinc/65/64/50/641656450.db2.gz ZUOKCTIBBKRLDL-CMPLNLGQSA-N 1 2 272.308 2.587 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000877616826 643402156 /nfs/dbraw/zinc/40/21/56/643402156.db2.gz ODFAEDJUBQQKRD-LBPRGKRZSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000877616826 643402159 /nfs/dbraw/zinc/40/21/59/643402159.db2.gz ODFAEDJUBQQKRD-LBPRGKRZSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2nccnc2C1 ZINC000877640536 643425320 /nfs/dbraw/zinc/42/53/20/643425320.db2.gz OOYQCSQMBUTHIE-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2nccnc2C1 ZINC000877640536 643425324 /nfs/dbraw/zinc/42/53/24/643425324.db2.gz OOYQCSQMBUTHIE-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885945053 646777746 /nfs/dbraw/zinc/77/77/46/646777746.db2.gz YWBZKJFMKPGFEF-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885945053 646777748 /nfs/dbraw/zinc/77/77/48/646777748.db2.gz YWBZKJFMKPGFEF-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])on1 ZINC000885959206 646784217 /nfs/dbraw/zinc/78/42/17/646784217.db2.gz VIIYOAHWWCHEOW-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccnc2[N+](=O)[O-])on1 ZINC000885959206 646784220 /nfs/dbraw/zinc/78/42/20/646784220.db2.gz VIIYOAHWWCHEOW-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886277620 646948399 /nfs/dbraw/zinc/94/83/99/646948399.db2.gz WVSXONGEWSHLKP-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc2c(c1)C[N@H+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886277620 646948400 /nfs/dbraw/zinc/94/84/00/646948400.db2.gz WVSXONGEWSHLKP-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924799863 648050128 /nfs/dbraw/zinc/05/01/28/648050128.db2.gz VMNVZVNOJPTZLJ-DTWKUNHWSA-N 1 2 276.296 2.698 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC000930594949 649282934 /nfs/dbraw/zinc/28/29/34/649282934.db2.gz QSHCSXQMQSQDHM-WDEREUQCSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1[nH]c2ccc(O[C@H](C[N+](=O)[O-])c3cccnc3)cc2[nH+]1 ZINC001228327736 776460613 /nfs/dbraw/zinc/46/06/13/776460613.db2.gz UQDMEGZUECGAKY-OAHLLOKOSA-N 1 2 298.302 2.663 20 5 CFBDLO C[NH+]1CC(Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230940863 777097598 /nfs/dbraw/zinc/09/75/98/777097598.db2.gz ZPIIXOAAKAYEOF-UHFFFAOYSA-N 1 2 284.315 2.955 20 5 CFBDLO Cc1c[nH+]c(CCNc2cccnc2[N+](=O)[O-])c(C)c1 ZINC000594594947 349455508 /nfs/dbraw/zinc/45/55/08/349455508.db2.gz CPINFDJAUTWUFB-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COc1cccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595412454 349618700 /nfs/dbraw/zinc/61/87/00/349618700.db2.gz ZVLRRZFEASJVRE-VIFPVBQESA-N 1 2 291.307 2.751 20 5 CFBDLO CC(C)[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595422837 349620432 /nfs/dbraw/zinc/62/04/32/349620432.db2.gz PLZFHJVBBFBBCV-CQSZACIVSA-N 1 2 282.315 2.591 20 5 CFBDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595422837 349620434 /nfs/dbraw/zinc/62/04/34/349620434.db2.gz PLZFHJVBBFBBCV-CQSZACIVSA-N 1 2 282.315 2.591 20 5 CFBDLO Cc1noc(C[N@@H+]2CCc3cc(C)ccc3C2)c1[N+](=O)[O-] ZINC000595452527 349631057 /nfs/dbraw/zinc/63/10/57/349631057.db2.gz AKJBONBMMFBGQV-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO Cc1noc(C[N@H+]2CCc3cc(C)ccc3C2)c1[N+](=O)[O-] ZINC000595452527 349631060 /nfs/dbraw/zinc/63/10/60/349631060.db2.gz AKJBONBMMFBGQV-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO CC[C@@H](C)[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144403 529424116 /nfs/dbraw/zinc/42/41/16/529424116.db2.gz TWKKAPRKRLUVTF-QMTHXVAHSA-N 1 2 289.335 2.962 20 5 CFBDLO CCc1nocc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505911 349645525 /nfs/dbraw/zinc/64/55/25/349645525.db2.gz XBJBNIFQCGSYME-UHFFFAOYSA-N 1 2 293.298 2.916 20 5 CFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595505911 349645527 /nfs/dbraw/zinc/64/55/27/349645527.db2.gz XBJBNIFQCGSYME-UHFFFAOYSA-N 1 2 293.298 2.916 20 5 CFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1=CCCOC1 ZINC000595747253 349721507 /nfs/dbraw/zinc/72/15/07/349721507.db2.gz IRYSEUSKGPZASN-UHFFFAOYSA-N 1 2 298.289 2.652 20 5 CFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1=CCCOC1 ZINC000595747253 349721509 /nfs/dbraw/zinc/72/15/09/349721509.db2.gz IRYSEUSKGPZASN-UHFFFAOYSA-N 1 2 298.289 2.652 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000595810645 349737626 /nfs/dbraw/zinc/73/76/26/349737626.db2.gz MJWBNTBADKQGSB-RKDXNWHRSA-N 1 2 268.263 2.715 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000595810645 349737629 /nfs/dbraw/zinc/73/76/29/349737629.db2.gz MJWBNTBADKQGSB-RKDXNWHRSA-N 1 2 268.263 2.715 20 5 CFBDLO CN(CC1CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413072053 529862515 /nfs/dbraw/zinc/86/25/15/529862515.db2.gz NQOPAVGPXJXFLQ-UHFFFAOYSA-N 1 2 257.293 2.989 20 5 CFBDLO C[C@]12COC[C@H]1CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000596481504 349915133 /nfs/dbraw/zinc/91/51/33/349915133.db2.gz YGDQXZXGWLMCPP-WBMJQRKESA-N 1 2 299.330 2.616 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000596544113 349937153 /nfs/dbraw/zinc/93/71/53/349937153.db2.gz YMWNJAJDIDMUBE-JTQLQIEISA-N 1 2 275.312 2.513 20 5 CFBDLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000596543419 349936584 /nfs/dbraw/zinc/93/65/84/349936584.db2.gz TXGPAPWFBZSELJ-VIFPVBQESA-N 1 2 278.287 2.949 20 5 CFBDLO CN(C)c1ccc(NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000036988735 346325921 /nfs/dbraw/zinc/32/59/21/346325921.db2.gz XPGAHCRILSUKIB-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO Cc1nn(C)c(Nc2ccc([NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000265117304 232527360 /nfs/dbraw/zinc/52/73/60/232527360.db2.gz JBPOKWZGVJYOQU-UHFFFAOYSA-N 1 2 289.339 2.755 20 5 CFBDLO Cc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000057778201 346636707 /nfs/dbraw/zinc/63/67/07/346636707.db2.gz VNLDPTYSFHXZDU-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000085786089 347483270 /nfs/dbraw/zinc/48/32/70/347483270.db2.gz BQUWTZGXCVKJPG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000085786089 347483271 /nfs/dbraw/zinc/48/32/71/347483271.db2.gz BQUWTZGXCVKJPG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000092762221 347645946 /nfs/dbraw/zinc/64/59/46/347645946.db2.gz JRHMMBAYXKGXSE-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000092762221 347645949 /nfs/dbraw/zinc/64/59/49/347645949.db2.gz JRHMMBAYXKGXSE-GHMZBOCLSA-N 1 2 264.325 2.921 20 5 CFBDLO CCOC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093418871 347673707 /nfs/dbraw/zinc/67/37/07/347673707.db2.gz AESQCKAJTAEKIL-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093418871 347673709 /nfs/dbraw/zinc/67/37/09/347673709.db2.gz AESQCKAJTAEKIL-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO O=[N+]([O-])c1ccc(CCNc2cc(NC3CC3)nc[nH+]2)cc1 ZINC000413063747 233012673 /nfs/dbraw/zinc/01/26/73/233012673.db2.gz BKKFUGDWTIAOJF-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO O=[N+]([O-])c1ccc(CCNc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000413063747 233012694 /nfs/dbraw/zinc/01/26/94/233012694.db2.gz BKKFUGDWTIAOJF-UHFFFAOYSA-N 1 2 299.334 2.614 20 5 CFBDLO Cc1c(CNc2cc(NC3CC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000413261430 233042891 /nfs/dbraw/zinc/04/28/91/233042891.db2.gz KMSGBYDRONYQRL-UHFFFAOYSA-N 1 2 299.334 2.880 20 5 CFBDLO Cc1c(CNc2cc(NC3CC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000413261430 233042893 /nfs/dbraw/zinc/04/28/93/233042893.db2.gz KMSGBYDRONYQRL-UHFFFAOYSA-N 1 2 299.334 2.880 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000404049124 348589383 /nfs/dbraw/zinc/58/93/83/348589383.db2.gz IKXIZOLTUGLCHD-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000404049124 348589385 /nfs/dbraw/zinc/58/93/85/348589385.db2.gz IKXIZOLTUGLCHD-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[C@@H](CO)C3)c2c1 ZINC000413310194 233050260 /nfs/dbraw/zinc/05/02/60/233050260.db2.gz GOBVRIXXNNWFRF-PWSUYJOCSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1cn2c([nH+]1)CN(c1cc(C)c([N+](=O)[O-])cc1F)CC2 ZINC000589690325 348850940 /nfs/dbraw/zinc/85/09/40/348850940.db2.gz PXQDIPMDPJQGLE-UHFFFAOYSA-N 1 2 290.298 2.567 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062924 348982643 /nfs/dbraw/zinc/98/26/43/348982643.db2.gz BQPBMGITGHRPBF-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062924 348982649 /nfs/dbraw/zinc/98/26/49/348982649.db2.gz BQPBMGITGHRPBF-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@]4(CCOC4)C3)c2c1 ZINC000591149573 348993228 /nfs/dbraw/zinc/99/32/28/348993228.db2.gz IQVAACZZKZEHSI-MRXNPFEDSA-N 1 2 299.330 2.760 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118404 349214755 /nfs/dbraw/zinc/21/47/55/349214755.db2.gz QZCTVSVZTUELEQ-LBPRGKRZSA-N 1 2 284.262 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118404 349214757 /nfs/dbraw/zinc/21/47/57/349214757.db2.gz QZCTVSVZTUELEQ-LBPRGKRZSA-N 1 2 284.262 2.532 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063287 349199441 /nfs/dbraw/zinc/19/94/41/349199441.db2.gz LFSXCKXKYGSGLX-FZMZJTMJSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063287 349199444 /nfs/dbraw/zinc/19/94/44/349199444.db2.gz LFSXCKXKYGSGLX-FZMZJTMJSA-N 1 2 278.352 2.903 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@]2(CCOC2)C1 ZINC000599061047 350368312 /nfs/dbraw/zinc/36/83/12/350368312.db2.gz KAAWFNLIXPDMEP-INIZCTEOSA-N 1 2 299.330 2.760 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599025996 350361057 /nfs/dbraw/zinc/36/10/57/350361057.db2.gz GTXTXDMMWKQRCZ-LLVKDONJSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCO1 ZINC000599038887 350362643 /nfs/dbraw/zinc/36/26/43/350362643.db2.gz VVASKHYOAMKRCO-NSHDSACASA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@@H](CO)[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045473 350364619 /nfs/dbraw/zinc/36/46/19/350364619.db2.gz AYLDLNVZXCWPEM-VHSXEESVSA-N 1 2 275.308 2.572 20 5 CFBDLO CN(C[C@@H]1CCOC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599053635 350366367 /nfs/dbraw/zinc/36/63/67/350366367.db2.gz FQDJQEIOUAIUDZ-NSHDSACASA-N 1 2 287.319 2.616 20 5 CFBDLO COc1ccc[nH+]c1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000599074376 350371807 /nfs/dbraw/zinc/37/18/07/350371807.db2.gz RACWBQHSUAGOGX-UHFFFAOYSA-N 1 2 287.319 2.677 20 5 CFBDLO C[C@H](CCO)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599087184 350374224 /nfs/dbraw/zinc/37/42/24/350374224.db2.gz XQHWPFLVOCSESR-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO O=[N+]([O-])c1c(NC[C@@H](O)C2CCC2)ccc2c[nH+]ccc21 ZINC000599086978 350374529 /nfs/dbraw/zinc/37/45/29/350374529.db2.gz DLGYJBCZCTVTJJ-CQSZACIVSA-N 1 2 287.319 2.716 20 5 CFBDLO Cc1cc[nH+]c([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)c1 ZINC000599101607 350375898 /nfs/dbraw/zinc/37/58/98/350375898.db2.gz RYOMIHJCRJNUIJ-LBPRGKRZSA-N 1 2 284.319 2.687 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000107289555 186167263 /nfs/dbraw/zinc/16/72/63/186167263.db2.gz GRHUGEVDOPKJGX-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600203937 350538396 /nfs/dbraw/zinc/53/83/96/350538396.db2.gz GNGYRGZXWFNILV-LYKUJDHUSA-N 1 2 294.326 2.668 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](CCF)C1 ZINC000600203937 350538400 /nfs/dbraw/zinc/53/84/00/350538400.db2.gz GNGYRGZXWFNILV-LYKUJDHUSA-N 1 2 294.326 2.668 20 5 CFBDLO Cc1cccc(CCCNc2ncc(F)cc2[N+](=O)[O-])[nH+]1 ZINC000601164312 350685869 /nfs/dbraw/zinc/68/58/69/350685869.db2.gz BEUPXSMUAXSGEL-UHFFFAOYSA-N 1 2 290.298 2.877 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601171827 350687873 /nfs/dbraw/zinc/68/78/73/350687873.db2.gz QSZDSFKZFQNNMN-UHFFFAOYSA-N 1 2 290.298 2.877 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171390 350688168 /nfs/dbraw/zinc/68/81/68/350688168.db2.gz KYTNFWAYVBGLTH-APPZFPTMSA-N 1 2 264.310 2.971 20 5 CFBDLO Cc1cc(NCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000601198482 350695169 /nfs/dbraw/zinc/69/51/69/350695169.db2.gz YAWVEJILHCXPTA-UHFFFAOYSA-N 1 2 274.324 2.947 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111276020 186387001 /nfs/dbraw/zinc/38/70/01/186387001.db2.gz DRNOYAMJLZZISV-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111276020 186387004 /nfs/dbraw/zinc/38/70/04/186387004.db2.gz DRNOYAMJLZZISV-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO COCC1(C2CC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000602730762 351004222 /nfs/dbraw/zinc/00/42/22/351004222.db2.gz GIHUQBUWJCLRCE-UHFFFAOYSA-N 1 2 294.326 2.592 20 5 CFBDLO CC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602752347 351013640 /nfs/dbraw/zinc/01/36/40/351013640.db2.gz UXEZGDMOYPWNHR-UHFFFAOYSA-N 1 2 261.281 2.578 20 5 CFBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602943788 351070772 /nfs/dbraw/zinc/07/07/72/351070772.db2.gz QLLHCLUMNDTFOE-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000602943788 351070778 /nfs/dbraw/zinc/07/07/78/351070778.db2.gz QLLHCLUMNDTFOE-UHFFFAOYSA-N 1 2 294.742 2.912 20 5 CFBDLO CCN(CC)c1ccc(Nc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000603861178 351187505 /nfs/dbraw/zinc/18/75/05/351187505.db2.gz RDBOGGOKXVYRSI-UHFFFAOYSA-N 1 2 287.323 2.975 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132918 351486665 /nfs/dbraw/zinc/48/66/65/351486665.db2.gz UMGKNZJRXDYUCP-LBPRGKRZSA-N 1 2 290.298 2.772 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3ncc[nH]3)o2)cc1 ZINC000610150875 351535743 /nfs/dbraw/zinc/53/57/43/351535743.db2.gz DHXLCGLDXJFCBQ-UHFFFAOYSA-N 1 2 298.302 2.868 20 5 CFBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610990745 351628773 /nfs/dbraw/zinc/62/87/73/351628773.db2.gz LHQJBMVLFCMEHV-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610990745 351628778 /nfs/dbraw/zinc/62/87/78/351628778.db2.gz LHQJBMVLFCMEHV-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000611475215 351694728 /nfs/dbraw/zinc/69/47/28/351694728.db2.gz DGWVFEVLUIHWGQ-UHFFFAOYSA-N 1 2 288.307 2.519 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000611502388 351699418 /nfs/dbraw/zinc/69/94/18/351699418.db2.gz RWRSIGGSDKHZTN-TVQRCGJNSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1F ZINC000611502388 351699421 /nfs/dbraw/zinc/69/94/21/351699421.db2.gz RWRSIGGSDKHZTN-TVQRCGJNSA-N 1 2 270.279 2.914 20 5 CFBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC=C(F)C2)cc1 ZINC000611517076 351702568 /nfs/dbraw/zinc/70/25/68/351702568.db2.gz KWVAPWFTJXIDSH-UHFFFAOYSA-N 1 2 280.299 2.923 20 5 CFBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC=C(F)C2)cc1 ZINC000611517076 351702572 /nfs/dbraw/zinc/70/25/72/351702572.db2.gz KWVAPWFTJXIDSH-UHFFFAOYSA-N 1 2 280.299 2.923 20 5 CFBDLO Cc1nnsc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000291664858 198056398 /nfs/dbraw/zinc/05/63/98/198056398.db2.gz FPRYFGJZHAZUDO-UHFFFAOYSA-N 1 2 298.755 2.698 20 5 CFBDLO Cc1cccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000614976867 352138150 /nfs/dbraw/zinc/13/81/50/352138150.db2.gz RAVOYHURHRQFRU-CYBMUJFWSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CCC2 ZINC000618573415 352815617 /nfs/dbraw/zinc/81/56/17/352815617.db2.gz NHRDSOXWVRRIGJ-CQSZACIVSA-N 1 2 273.292 2.750 20 5 CFBDLO Cn1c[nH+]cc1CSc1ccc([N+](=O)[O-])cc1F ZINC000618964071 352921499 /nfs/dbraw/zinc/92/14/99/352921499.db2.gz BGPWWRLYUMGHEZ-UHFFFAOYSA-N 1 2 267.285 2.760 20 5 CFBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000292623607 198354549 /nfs/dbraw/zinc/35/45/49/198354549.db2.gz NRRBYBPSRGNDBB-UHFFFAOYSA-N 1 2 292.314 2.765 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000202455441 540095886 /nfs/dbraw/zinc/09/58/86/540095886.db2.gz RORXKAURKGHHKO-UHFFFAOYSA-N 1 2 298.346 2.707 20 5 CFBDLO C[C@H]1C[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003189 291118642 /nfs/dbraw/zinc/11/86/42/291118642.db2.gz FXEYDZXNRZMBNF-UWVGGRQHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339003189 291118645 /nfs/dbraw/zinc/11/86/45/291118645.db2.gz FXEYDZXNRZMBNF-UWVGGRQHSA-N 1 2 250.298 2.531 20 5 CFBDLO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000418120694 291276214 /nfs/dbraw/zinc/27/62/14/291276214.db2.gz CNXKTTBHEFBQNG-GMTAPVOTSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@H]1[C@@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000418120694 291276215 /nfs/dbraw/zinc/27/62/15/291276215.db2.gz CNXKTTBHEFBQNG-GMTAPVOTSA-N 1 2 264.325 2.777 20 5 CFBDLO C[C@H](c1cnccn1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184407499 189385328 /nfs/dbraw/zinc/38/53/28/189385328.db2.gz KAAYBKOQBIIAFH-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO C[C@H](c1cnccn1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184407499 189385329 /nfs/dbraw/zinc/38/53/29/189385329.db2.gz KAAYBKOQBIIAFH-LLVKDONJSA-N 1 2 272.308 2.578 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000443512475 241068966 /nfs/dbraw/zinc/06/89/66/241068966.db2.gz UPQAISNZWJNPMB-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(C3CC3)o2)c(F)c1 ZINC000449707373 242116232 /nfs/dbraw/zinc/11/62/32/242116232.db2.gz QRAHIYZTWSFNOX-UHFFFAOYSA-N 1 2 291.282 2.889 20 5 CFBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000276590764 193392021 /nfs/dbraw/zinc/39/20/21/193392021.db2.gz KIFBWGKJXFSBKE-SNVBAGLBSA-N 1 2 294.336 2.507 20 5 CFBDLO CCC1(C)C[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000459642136 245258335 /nfs/dbraw/zinc/25/83/35/245258335.db2.gz YXCXLCOJDWJKIS-UHFFFAOYSA-N 1 2 294.351 2.844 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459781068 245322994 /nfs/dbraw/zinc/32/29/94/245322994.db2.gz GZLLUJVNHDSPIY-QWRGUYRKSA-N 1 2 274.324 2.740 20 5 CFBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459790577 245327156 /nfs/dbraw/zinc/32/71/56/245327156.db2.gz MHHXOKOAFRRRHZ-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO CN(C)c1ccc(NCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000036988734 372623442 /nfs/dbraw/zinc/62/34/42/372623442.db2.gz ATOQFQDRSWTFBJ-UHFFFAOYSA-N 1 2 272.308 2.668 20 5 CFBDLO C[C@@H]([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000041012377 372802909 /nfs/dbraw/zinc/80/29/09/372802909.db2.gz LYQFUZURQMJKAW-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1cn[nH]c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289496927 197376733 /nfs/dbraw/zinc/37/67/33/197376733.db2.gz LNCMBLSNGAMLCY-UHFFFAOYSA-N 1 2 280.715 2.570 20 5 CFBDLO Cc1c[nH]nc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289496927 197376736 /nfs/dbraw/zinc/37/67/36/197376736.db2.gz LNCMBLSNGAMLCY-UHFFFAOYSA-N 1 2 280.715 2.570 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076072763 374530226 /nfs/dbraw/zinc/53/02/26/374530226.db2.gz XRBWPVPEZMIJGG-SNVBAGLBSA-N 1 2 272.395 2.984 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000076072763 374530231 /nfs/dbraw/zinc/53/02/31/374530231.db2.gz XRBWPVPEZMIJGG-SNVBAGLBSA-N 1 2 272.395 2.984 20 5 CFBDLO CCOc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1[N+](=O)[O-] ZINC000492816512 246396693 /nfs/dbraw/zinc/39/66/93/246396693.db2.gz IFAPIQSHOOLOFP-JTQLQIEISA-N 1 2 291.307 2.832 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000092487059 375116258 /nfs/dbraw/zinc/11/62/58/375116258.db2.gz PIBLEOVYBIGYGH-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000092487059 375116261 /nfs/dbraw/zinc/11/62/61/375116261.db2.gz PIBLEOVYBIGYGH-JSGCOSHPSA-N 1 2 278.352 2.903 20 5 CFBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093359467 375223222 /nfs/dbraw/zinc/22/32/22/375223222.db2.gz FOMOVRYGCLKUBD-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093359467 375223229 /nfs/dbraw/zinc/22/32/29/375223229.db2.gz FOMOVRYGCLKUBD-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000094659531 375372763 /nfs/dbraw/zinc/37/27/63/375372763.db2.gz XKMXNQVWEOERBY-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000507157886 247167194 /nfs/dbraw/zinc/16/71/94/247167194.db2.gz YABWPDMZUIKRSG-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000507157886 247167198 /nfs/dbraw/zinc/16/71/98/247167198.db2.gz YABWPDMZUIKRSG-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)n1 ZINC000121490541 376844495 /nfs/dbraw/zinc/84/44/95/376844495.db2.gz JNQYGDRYRSDHFN-UHFFFAOYSA-N 1 2 287.323 2.607 20 5 CFBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1[nH]cc[nH+]1 ZINC000140625492 378239964 /nfs/dbraw/zinc/23/99/64/378239964.db2.gz QRGVSAUXHWJBGY-GFCCVEGCSA-N 1 2 288.307 2.507 20 5 CFBDLO COc1cc[nH+]c(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153028966 378468545 /nfs/dbraw/zinc/46/85/45/378468545.db2.gz CLOAADAROIVXHM-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO CC(C)[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330427404 378552255 /nfs/dbraw/zinc/55/22/55/378552255.db2.gz KJQFFXYFHYHAKQ-SNVBAGLBSA-N 1 2 252.314 2.777 20 5 CFBDLO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330427404 378552258 /nfs/dbraw/zinc/55/22/58/378552258.db2.gz KJQFFXYFHYHAKQ-SNVBAGLBSA-N 1 2 252.314 2.777 20 5 CFBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570799 378584883 /nfs/dbraw/zinc/58/48/83/378584883.db2.gz ISNMAAWJQOKEMF-SNVBAGLBSA-N 1 2 250.298 2.532 20 5 CFBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570799 378584889 /nfs/dbraw/zinc/58/48/89/378584889.db2.gz ISNMAAWJQOKEMF-SNVBAGLBSA-N 1 2 250.298 2.532 20 5 CFBDLO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570798 378585369 /nfs/dbraw/zinc/58/53/69/378585369.db2.gz ISNMAAWJQOKEMF-JTQLQIEISA-N 1 2 250.298 2.532 20 5 CFBDLO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330570798 378585371 /nfs/dbraw/zinc/58/53/71/378585371.db2.gz ISNMAAWJQOKEMF-JTQLQIEISA-N 1 2 250.298 2.532 20 5 CFBDLO C[C@@H](c1cnccn1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332513074 378771184 /nfs/dbraw/zinc/77/11/84/378771184.db2.gz IWNJIRFKIHWNGO-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1cnccn1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332513074 378771188 /nfs/dbraw/zinc/77/11/88/378771188.db2.gz IWNJIRFKIHWNGO-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1C ZINC000172590766 379600116 /nfs/dbraw/zinc/60/01/16/379600116.db2.gz PUZWAYQOOOXHNK-SNVBAGLBSA-N 1 2 282.365 2.541 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1C ZINC000172590766 379600126 /nfs/dbraw/zinc/60/01/26/379600126.db2.gz PUZWAYQOOOXHNK-SNVBAGLBSA-N 1 2 282.365 2.541 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1C ZINC000172590769 379601632 /nfs/dbraw/zinc/60/16/32/379601632.db2.gz PUZWAYQOOOXHNK-JTQLQIEISA-N 1 2 282.365 2.541 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1C ZINC000172590769 379601638 /nfs/dbraw/zinc/60/16/38/379601638.db2.gz PUZWAYQOOOXHNK-JTQLQIEISA-N 1 2 282.365 2.541 20 5 CFBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccs1 ZINC000175093889 379994530 /nfs/dbraw/zinc/99/45/30/379994530.db2.gz QIQROSYNUFTGBU-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nccs1 ZINC000175093889 379994536 /nfs/dbraw/zinc/99/45/36/379994536.db2.gz QIQROSYNUFTGBU-UHFFFAOYSA-N 1 2 293.348 2.562 20 5 CFBDLO CN(C)c1ccc(Nc2c(F)cccc2[N+](=O)[O-])c[nH+]1 ZINC000341435927 381014080 /nfs/dbraw/zinc/01/40/80/381014080.db2.gz UPCKSOBDJIWLKS-UHFFFAOYSA-N 1 2 276.271 2.939 20 5 CFBDLO C[C@@]1(F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347395301 381122746 /nfs/dbraw/zinc/12/27/46/381122746.db2.gz SSUPRAJDDSDDQJ-CYBMUJFWSA-N 1 2 279.271 2.670 20 5 CFBDLO C[C@@]1(F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000347395301 381122750 /nfs/dbraw/zinc/12/27/50/381122750.db2.gz SSUPRAJDDSDDQJ-CYBMUJFWSA-N 1 2 279.271 2.670 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000341589396 381106642 /nfs/dbraw/zinc/10/66/42/381106642.db2.gz LSXGVDHVMSOZAN-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000342311602 381270470 /nfs/dbraw/zinc/27/04/70/381270470.db2.gz ILSDRDLYVHHKCA-LBPRGKRZSA-N 1 2 286.335 2.852 20 5 CFBDLO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000342298671 381258661 /nfs/dbraw/zinc/25/86/61/381258661.db2.gz VLQQBBARVZQDAY-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000354704022 381411228 /nfs/dbraw/zinc/41/12/28/381411228.db2.gz KCHIDYZHKXBLJO-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000354704022 381411231 /nfs/dbraw/zinc/41/12/31/381411231.db2.gz KCHIDYZHKXBLJO-JKSUJKDBSA-N 1 2 288.347 2.738 20 5 CFBDLO C[C@H]1COCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000371099291 381547401 /nfs/dbraw/zinc/54/74/01/381547401.db2.gz KHGQJZRWCOZLGI-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000371099291 381547405 /nfs/dbraw/zinc/54/74/05/381547405.db2.gz KHGQJZRWCOZLGI-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO Cc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000355287919 381727876 /nfs/dbraw/zinc/72/78/76/381727876.db2.gz IMRRGUGGEGICGH-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355326604 381755604 /nfs/dbraw/zinc/75/56/04/381755604.db2.gz ZJHQIAYQPMWHHD-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO C[C@H](c1cccs1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355791596 381805927 /nfs/dbraw/zinc/80/59/27/381805927.db2.gz JBXWGLUISJMDKZ-SECBINFHSA-N 1 2 280.353 2.583 20 5 CFBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355791596 381805936 /nfs/dbraw/zinc/80/59/36/381805936.db2.gz JBXWGLUISJMDKZ-SECBINFHSA-N 1 2 280.353 2.583 20 5 CFBDLO Cc1cc(N2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299389004 381922325 /nfs/dbraw/zinc/92/23/25/381922325.db2.gz DPRDXPSXSURENG-UHFFFAOYSA-N 1 2 270.292 2.570 20 5 CFBDLO Cn1c[nH+]c2cc(Nc3ncccc3[N+](=O)[O-])ccc21 ZINC000343883240 382002969 /nfs/dbraw/zinc/00/29/69/382002969.db2.gz OXNFQNNEBGGTAD-UHFFFAOYSA-N 1 2 269.264 2.620 20 5 CFBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000293102696 381991495 /nfs/dbraw/zinc/99/14/95/381991495.db2.gz QJWRPWFUQJOYEG-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000293102696 381991505 /nfs/dbraw/zinc/99/15/05/381991505.db2.gz QJWRPWFUQJOYEG-LLVKDONJSA-N 1 2 268.288 2.537 20 5 CFBDLO CCc1nocc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293278961 382060638 /nfs/dbraw/zinc/06/06/38/382060638.db2.gz CLPIQBNDCHRRRQ-UHFFFAOYSA-N 1 2 293.298 2.916 20 5 CFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000293278961 382060645 /nfs/dbraw/zinc/06/06/45/382060645.db2.gz CLPIQBNDCHRRRQ-UHFFFAOYSA-N 1 2 293.298 2.916 20 5 CFBDLO COc1cc[nH+]cc1CSc1ccc([N+](=O)[O-])cn1 ZINC000344091675 382123828 /nfs/dbraw/zinc/12/38/28/382123828.db2.gz BYVBICBBVYKDIY-UHFFFAOYSA-N 1 2 277.305 2.686 20 5 CFBDLO O=[N+]([O-])c1cccnc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000301351118 382156021 /nfs/dbraw/zinc/15/60/21/382156021.db2.gz IYMUSUMAHJIPBS-UHFFFAOYSA-N 1 2 282.259 2.968 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000357580048 382236537 /nfs/dbraw/zinc/23/65/37/382236537.db2.gz HHWUNSKBEYELEA-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356966 382287330 /nfs/dbraw/zinc/28/73/30/382287330.db2.gz OYAMASURBNMXJM-UHFFFAOYSA-N 1 2 297.318 2.513 20 5 CFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352233906 382241717 /nfs/dbraw/zinc/24/17/17/382241717.db2.gz ZXCAIIRLSFTYDX-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352233906 382241724 /nfs/dbraw/zinc/24/17/24/382241724.db2.gz ZXCAIIRLSFTYDX-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]23CCOC3)c(F)c1 ZINC000352376616 382297342 /nfs/dbraw/zinc/29/73/42/382297342.db2.gz SNAUTJMBYIIXDM-CQSZACIVSA-N 1 2 298.289 2.628 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@]23CCOC3)c(F)c1 ZINC000352376616 382297343 /nfs/dbraw/zinc/29/73/43/382297343.db2.gz SNAUTJMBYIIXDM-CQSZACIVSA-N 1 2 298.289 2.628 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000223214751 382804121 /nfs/dbraw/zinc/80/41/21/382804121.db2.gz QNZQVHTZRKDFAX-QMMMGPOBSA-N 1 2 282.250 2.570 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000245562758 383007970 /nfs/dbraw/zinc/00/79/70/383007970.db2.gz PIBLEOVYBIGYGH-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000245562758 383007976 /nfs/dbraw/zinc/00/79/76/383007976.db2.gz PIBLEOVYBIGYGH-TZMCWYRMSA-N 1 2 278.352 2.903 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000338901133 383080222 /nfs/dbraw/zinc/08/02/22/383080222.db2.gz FEZOBINXCXAMNP-UHFFFAOYSA-N 1 2 272.308 2.822 20 5 CFBDLO C[N@H+](Cc1ccoc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338924195 383087611 /nfs/dbraw/zinc/08/76/11/383087611.db2.gz FFIAHLJTGSVKNQ-UHFFFAOYSA-N 1 2 262.265 2.525 20 5 CFBDLO C[N@@H+](Cc1ccoc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338924195 383087616 /nfs/dbraw/zinc/08/76/16/383087616.db2.gz FFIAHLJTGSVKNQ-UHFFFAOYSA-N 1 2 262.265 2.525 20 5 CFBDLO C[N@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338925174 383087774 /nfs/dbraw/zinc/08/77/74/383087774.db2.gz YUWOLCGKOJFYGM-UHFFFAOYSA-N 1 2 286.331 2.975 20 5 CFBDLO C[N@@H+](CCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338925174 383087778 /nfs/dbraw/zinc/08/77/78/383087778.db2.gz YUWOLCGKOJFYGM-UHFFFAOYSA-N 1 2 286.331 2.975 20 5 CFBDLO Cc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000584540523 383112103 /nfs/dbraw/zinc/11/21/03/383112103.db2.gz BKJUSBAUKDSTOD-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1[nH]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH+]c1C ZINC000584540523 383112106 /nfs/dbraw/zinc/11/21/06/383112106.db2.gz BKJUSBAUKDSTOD-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO C[C@@H]1CC[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123467 383157714 /nfs/dbraw/zinc/15/77/14/383157714.db2.gz FYGHUAIBWMCBQO-PWSUYJOCSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339123467 383157718 /nfs/dbraw/zinc/15/77/18/383157718.db2.gz FYGHUAIBWMCBQO-PWSUYJOCSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000252442816 383407990 /nfs/dbraw/zinc/40/79/90/383407990.db2.gz DRNOYAMJLZZISV-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000252442816 383407996 /nfs/dbraw/zinc/40/79/96/383407996.db2.gz DRNOYAMJLZZISV-RISCZKNCSA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ncn1 ZINC000428396653 383465189 /nfs/dbraw/zinc/46/51/89/383465189.db2.gz DUEPEACRLSLHMS-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ncn1 ZINC000428396653 383465191 /nfs/dbraw/zinc/46/51/91/383465191.db2.gz DUEPEACRLSLHMS-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000450828047 383507769 /nfs/dbraw/zinc/50/77/69/383507769.db2.gz JDYSBCQBHBESJO-SNVBAGLBSA-N 1 2 275.312 2.688 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000438354536 383990248 /nfs/dbraw/zinc/99/02/48/383990248.db2.gz GJVAFKOTOAOXIE-IJLUTSLNSA-N 1 2 264.325 2.593 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000438354536 383990255 /nfs/dbraw/zinc/99/02/55/383990255.db2.gz GJVAFKOTOAOXIE-IJLUTSLNSA-N 1 2 264.325 2.593 20 5 CFBDLO Cc1c[nH+]c(C)nc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000574849714 384153659 /nfs/dbraw/zinc/15/36/59/384153659.db2.gz UPASLFFOPBLCDR-UHFFFAOYSA-N 1 2 272.308 2.638 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)O1 ZINC000267017820 384280446 /nfs/dbraw/zinc/28/04/46/384280446.db2.gz JNFUMKPIWZWPCD-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC(C)(C)O1 ZINC000267017820 384280452 /nfs/dbraw/zinc/28/04/52/384280452.db2.gz JNFUMKPIWZWPCD-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(CF)C3)c2c1 ZINC000413507540 285147358 /nfs/dbraw/zinc/14/73/58/285147358.db2.gz SXOMILVMFLUUPI-UHFFFAOYSA-N 1 2 261.256 2.549 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cscn1 ZINC000271131215 385345745 /nfs/dbraw/zinc/34/57/45/385345745.db2.gz LYOWEGVKZZRAIG-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000271131045 385345810 /nfs/dbraw/zinc/34/58/10/385345810.db2.gz PVETTZNMOWZHJH-HIFRSBDPSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000271131045 385345814 /nfs/dbraw/zinc/34/58/14/385345814.db2.gz PVETTZNMOWZHJH-HIFRSBDPSA-N 1 2 276.336 2.657 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276859467 386062408 /nfs/dbraw/zinc/06/24/08/386062408.db2.gz GEWGJFIZSLQYFK-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276859467 386062416 /nfs/dbraw/zinc/06/24/16/386062416.db2.gz GEWGJFIZSLQYFK-RYUDHWBXSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944915 386086874 /nfs/dbraw/zinc/08/68/74/386086874.db2.gz STEQEBCFGZFDFH-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276944915 386086880 /nfs/dbraw/zinc/08/68/80/386086880.db2.gz STEQEBCFGZFDFH-VXGBXAGGSA-N 1 2 294.351 2.603 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288402400 197068643 /nfs/dbraw/zinc/06/86/43/197068643.db2.gz IAUMWNCCKWDBSQ-UHFFFAOYSA-N 1 2 287.319 2.751 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C)[nH+]c1 ZINC000263688692 131309766 /nfs/dbraw/zinc/30/97/66/131309766.db2.gz BPQVBKDSBHGNML-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CCCn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000179315826 393463474 /nfs/dbraw/zinc/46/34/74/393463474.db2.gz UGEYPJFYTXMGKP-UHFFFAOYSA-N 1 2 288.351 2.833 20 5 CFBDLO CCCn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000179315826 393463479 /nfs/dbraw/zinc/46/34/79/393463479.db2.gz UGEYPJFYTXMGKP-UHFFFAOYSA-N 1 2 288.351 2.833 20 5 CFBDLO Cc1cnc([C@@H](C)[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000332542692 393561719 /nfs/dbraw/zinc/56/17/19/393561719.db2.gz LLITVIPGHFISJS-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cnc([C@@H](C)[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000332542692 393561726 /nfs/dbraw/zinc/56/17/26/393561726.db2.gz LLITVIPGHFISJS-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(C2CC2)[nH+]1 ZINC000340079440 393835592 /nfs/dbraw/zinc/83/55/92/393835592.db2.gz RSGHVXHEDUQBBX-UHFFFAOYSA-N 1 2 298.346 2.647 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccnc1 ZINC000430210648 393969192 /nfs/dbraw/zinc/96/91/92/393969192.db2.gz USEKMRUZRADMCO-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccnc1 ZINC000430210648 393969195 /nfs/dbraw/zinc/96/91/95/393969195.db2.gz USEKMRUZRADMCO-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355792990 394071100 /nfs/dbraw/zinc/07/11/00/394071100.db2.gz WSXBDYPRGHWOLZ-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355792990 394071103 /nfs/dbraw/zinc/07/11/03/394071103.db2.gz WSXBDYPRGHWOLZ-GFCCVEGCSA-N 1 2 288.351 2.830 20 5 CFBDLO CC[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420957792 394140866 /nfs/dbraw/zinc/14/08/66/394140866.db2.gz ZXTTYLMKDLPJND-KBPBESRZSA-N 1 2 278.352 2.984 20 5 CFBDLO Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000364036980 394202710 /nfs/dbraw/zinc/20/27/10/394202710.db2.gz UIALNLPIFIRDHR-ZDUSSCGKSA-N 1 2 272.308 2.968 20 5 CFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295185116 394297879 /nfs/dbraw/zinc/29/78/79/394297879.db2.gz ICVOPLROTVRQJO-NSHDSACASA-N 1 2 274.324 2.662 20 5 CFBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000451105646 394357650 /nfs/dbraw/zinc/35/76/50/394357650.db2.gz TYYFICSLENGGMI-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)CO ZINC000451254458 394371357 /nfs/dbraw/zinc/37/13/57/394371357.db2.gz OSYOIMBHMMEGGR-UHFFFAOYSA-N 1 2 286.759 2.699 20 5 CFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)(C)CO ZINC000451254458 394371358 /nfs/dbraw/zinc/37/13/58/394371358.db2.gz OSYOIMBHMMEGGR-UHFFFAOYSA-N 1 2 286.759 2.699 20 5 CFBDLO C[N@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000178300765 394387212 /nfs/dbraw/zinc/38/72/12/394387212.db2.gz QGNRDKLDETYHCE-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO C[N@@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000178300765 394387213 /nfs/dbraw/zinc/38/72/13/394387213.db2.gz QGNRDKLDETYHCE-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000548603655 394939648 /nfs/dbraw/zinc/93/96/48/394939648.db2.gz QKUJGCYTPIYENR-ABAIWWIYSA-N 1 2 276.336 2.767 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000548603655 394939654 /nfs/dbraw/zinc/93/96/54/394939654.db2.gz QKUJGCYTPIYENR-ABAIWWIYSA-N 1 2 276.336 2.767 20 5 CFBDLO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344730709 286171637 /nfs/dbraw/zinc/17/16/37/286171637.db2.gz YPKPSWHCUPZLCX-DZGCQCFKSA-N 1 2 294.351 2.594 20 5 CFBDLO Cc1cnn(C2C[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)c1 ZINC000361256021 156071524 /nfs/dbraw/zinc/07/15/24/156071524.db2.gz ZLURDYXFWMTLMM-GQCTYLIASA-N 1 2 298.346 2.670 20 5 CFBDLO C[C@@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798691 156240595 /nfs/dbraw/zinc/24/05/95/156240595.db2.gz YMXALKDXLXDFLO-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000366798691 156240598 /nfs/dbraw/zinc/24/05/98/156240598.db2.gz YMXALKDXLXDFLO-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349778 157103604 /nfs/dbraw/zinc/10/36/04/157103604.db2.gz ILIDQSVHBLXXCX-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374349778 157103606 /nfs/dbraw/zinc/10/36/06/157103606.db2.gz ILIDQSVHBLXXCX-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO CC(C)c1nnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000344644948 162087645 /nfs/dbraw/zinc/08/76/45/162087645.db2.gz XRUGAJCMWDIOPA-UHFFFAOYSA-N 1 2 298.393 2.921 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn[nH]c1C ZINC000344840914 162132714 /nfs/dbraw/zinc/13/27/14/162132714.db2.gz GECDMFNBYRXQJZ-IZZDOVSWSA-N 1 2 286.335 2.819 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000350292630 163069780 /nfs/dbraw/zinc/06/97/80/163069780.db2.gz YLLPGIPABINTAJ-ZDUSSCGKSA-N 1 2 290.298 2.624 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(F)c1 ZINC000350292630 163069783 /nfs/dbraw/zinc/06/97/83/163069783.db2.gz YLLPGIPABINTAJ-ZDUSSCGKSA-N 1 2 290.298 2.624 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000351067114 163115834 /nfs/dbraw/zinc/11/58/34/163115834.db2.gz VBFBRVMIFOXDDM-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(/C=C\c2cccc3[nH+]ccn32)nc1 ZINC000354256622 163548086 /nfs/dbraw/zinc/54/80/86/163548086.db2.gz VSSDBVGSYKOASL-XQRVVYSFSA-N 1 2 266.260 2.808 20 5 CFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000044692708 175233926 /nfs/dbraw/zinc/23/39/26/175233926.db2.gz DJRPQZMDZNMQDW-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070741036 176004529 /nfs/dbraw/zinc/00/45/29/176004529.db2.gz ASVCEXFTTWLURN-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000070741036 176004530 /nfs/dbraw/zinc/00/45/30/176004530.db2.gz ASVCEXFTTWLURN-CQSZACIVSA-N 1 2 292.335 2.512 20 5 CFBDLO COc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000070943207 176016170 /nfs/dbraw/zinc/01/61/70/176016170.db2.gz VXISFMBNSYOWIN-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1cc(C)c(CNc2nccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000397084193 270316197 /nfs/dbraw/zinc/31/61/97/270316197.db2.gz IHLKHGPKPATSEQ-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2c[nH+]c(C)cc2C)n1 ZINC000397129964 270316269 /nfs/dbraw/zinc/31/62/69/270316269.db2.gz YEKCRMFEHJNLCG-UHFFFAOYSA-N 1 2 272.308 2.922 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000450833384 278865175 /nfs/dbraw/zinc/86/51/75/278865175.db2.gz SRSDJEIDVAONPR-VHSXEESVSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000268261967 279728837 /nfs/dbraw/zinc/72/88/37/279728837.db2.gz MRIJOPGNLFOMJL-SWLSCSKDSA-N 1 2 286.335 2.879 20 5 CFBDLO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2[nH+]ccn21 ZINC000450822941 279971992 /nfs/dbraw/zinc/97/19/92/279971992.db2.gz BMYYXLSUXZEYPY-QPUJVOFHSA-N 1 2 298.306 2.786 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374773486 280360604 /nfs/dbraw/zinc/36/06/04/280360604.db2.gz AKKVNBSUUCZLTO-NSHDSACASA-N 1 2 276.271 2.799 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ncccc3C2)cc1 ZINC000367849479 280364059 /nfs/dbraw/zinc/36/40/59/280364059.db2.gz MTHWTOXAPCHVHE-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ncccc3C2)cc1 ZINC000367849479 280364060 /nfs/dbraw/zinc/36/40/60/280364060.db2.gz MTHWTOXAPCHVHE-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000121107587 280394409 /nfs/dbraw/zinc/39/44/09/280394409.db2.gz UJPHPZNMNVSPBF-UHFFFAOYSA-N 1 2 275.264 2.760 20 5 CFBDLO Cc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1[N+](=O)[O-] ZINC000150895919 280797010 /nfs/dbraw/zinc/79/70/10/280797010.db2.gz YGMAXUBLRJBADP-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774471 281221295 /nfs/dbraw/zinc/22/12/95/281221295.db2.gz CAWPBBHGYQFUBM-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774471 281221296 /nfs/dbraw/zinc/22/12/96/281221296.db2.gz CAWPBBHGYQFUBM-PWSUYJOCSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H](F)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516142445 281299877 /nfs/dbraw/zinc/29/98/77/281299877.db2.gz RQMMGKWFPQRLFH-LLVKDONJSA-N 1 2 252.289 2.701 20 5 CFBDLO CC[C@@H](F)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516142445 281299878 /nfs/dbraw/zinc/29/98/78/281299878.db2.gz RQMMGKWFPQRLFH-LLVKDONJSA-N 1 2 252.289 2.701 20 5 CFBDLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000548754421 281799981 /nfs/dbraw/zinc/79/99/81/281799981.db2.gz IIOHSWDCNAODEC-IUCAKERBSA-N 1 2 297.742 2.669 20 5 CFBDLO CN(C(=O)c1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000170862762 322394855 /nfs/dbraw/zinc/39/48/55/322394855.db2.gz KVTSWUWZHTVNNT-UHFFFAOYSA-N 1 2 296.286 2.519 20 5 CFBDLO C[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CO1 ZINC000569600775 322484699 /nfs/dbraw/zinc/48/46/99/322484699.db2.gz ZEGUVQHQHVZEFY-ONGXEEELSA-N 1 2 273.292 2.732 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000177573580 323699039 /nfs/dbraw/zinc/69/90/39/323699039.db2.gz HYZIAOTVINZGFL-CYBMUJFWSA-N 1 2 276.292 2.665 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579958122 324994167 /nfs/dbraw/zinc/99/41/67/324994167.db2.gz RVFFXKTXUWSIGM-NSHDSACASA-N 1 2 288.307 2.690 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncccn1 ZINC000584005272 325324575 /nfs/dbraw/zinc/32/45/75/325324575.db2.gz NHHRNILHPJIQCG-NSHDSACASA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])cc2F)[nH+]1 ZINC000413280382 534691238 /nfs/dbraw/zinc/69/12/38/534691238.db2.gz KLMDSHRHRPGLQC-UHFFFAOYSA-N 1 2 290.298 2.877 20 5 CFBDLO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000050443982 524761880 /nfs/dbraw/zinc/76/18/80/524761880.db2.gz YGKIVVNKSSRBLV-UHFFFAOYSA-N 1 2 281.699 2.834 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000413060521 534887232 /nfs/dbraw/zinc/88/72/32/534887232.db2.gz KQLJFQBJRJZBQR-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO O=[N+]([O-])c1ccccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000413060521 534887236 /nfs/dbraw/zinc/88/72/36/534887236.db2.gz KQLJFQBJRJZBQR-UHFFFAOYSA-N 1 2 285.307 2.571 20 5 CFBDLO Cc1nc(NCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000231869222 527351037 /nfs/dbraw/zinc/35/10/37/527351037.db2.gz VFZLVSOTGPSGEC-UHFFFAOYSA-N 1 2 258.281 2.614 20 5 CFBDLO O=[N+]([O-])c1cccc2c(NCCCn3cc[nH+]c3)ccnc21 ZINC000317274101 527396579 /nfs/dbraw/zinc/39/65/79/527396579.db2.gz ODEWEHJNBHOJQM-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO CC(C)OCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413027154 527939271 /nfs/dbraw/zinc/93/92/71/527939271.db2.gz XZPWZRIIDZXMIH-UHFFFAOYSA-N 1 2 289.335 2.792 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000747216634 574187618 /nfs/dbraw/zinc/18/76/18/574187618.db2.gz YFNBVIDMPOZLIL-CQSZACIVSA-N 1 2 286.335 2.941 20 5 CFBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000743378017 574361945 /nfs/dbraw/zinc/36/19/45/574361945.db2.gz RPPKVFQLCPTDIQ-UHFFFAOYSA-N 1 2 278.356 2.651 20 5 CFBDLO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933185296 618167724 /nfs/dbraw/zinc/16/77/24/618167724.db2.gz NCSBYDJPQAXROA-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933185296 618167726 /nfs/dbraw/zinc/16/77/26/618167726.db2.gz NCSBYDJPQAXROA-UHFFFAOYSA-N 1 2 294.351 2.677 20 5 CFBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC000092349403 618180209 /nfs/dbraw/zinc/18/02/09/618180209.db2.gz UQKQGQATRSFDME-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO CCNc1cc(CNc2cc(C)c([N+](=O)[O-])cn2)cc[nH+]1 ZINC000894871672 619492669 /nfs/dbraw/zinc/49/26/69/619492669.db2.gz VJUCKTHNPLTEFS-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1ccc(C)cc1[N+](=O)[O-])C2 ZINC000896660798 619782861 /nfs/dbraw/zinc/78/28/61/619782861.db2.gz UMIYWCXNXPCVDG-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000925312996 620244685 /nfs/dbraw/zinc/24/46/85/620244685.db2.gz KKDNUQZOAWFPBO-LLVKDONJSA-N 1 2 289.339 2.618 20 5 CFBDLO Cc1c(OC(=O)[C@H]2CCC[N@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000902718231 621154739 /nfs/dbraw/zinc/15/47/39/621154739.db2.gz BOVZJLGWILLMAT-CYBMUJFWSA-N 1 2 292.335 2.681 20 5 CFBDLO Cc1c(OC(=O)[C@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000902718231 621154742 /nfs/dbraw/zinc/15/47/42/621154742.db2.gz BOVZJLGWILLMAT-CYBMUJFWSA-N 1 2 292.335 2.681 20 5 CFBDLO COc1cc([C@H](C)[NH2+]Cc2nccs2)cc([N+](=O)[O-])c1 ZINC000903073832 621251809 /nfs/dbraw/zinc/25/18/09/621251809.db2.gz LGGIXLFYIKUXKM-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO O=[N+]([O-])c1ccc(-c2nc(C3CC3)no2)cc1-n1cc[nH+]c1 ZINC000904365224 621585976 /nfs/dbraw/zinc/58/59/76/621585976.db2.gz VDDXGOFGJOMVPR-UHFFFAOYSA-N 1 2 297.274 2.708 20 5 CFBDLO Cc1cc(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000906342465 621977295 /nfs/dbraw/zinc/97/72/95/621977295.db2.gz XKYIDTRSEHOGMA-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO CCc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)co1 ZINC000825050790 623616902 /nfs/dbraw/zinc/61/69/02/623616902.db2.gz SLAQJJKRPZGRPA-UHFFFAOYSA-N 1 2 275.308 2.743 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733644 624829840 /nfs/dbraw/zinc/82/98/40/624829840.db2.gz AZGPZJVLOIDRKV-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733644 624829844 /nfs/dbraw/zinc/82/98/44/624829844.db2.gz AZGPZJVLOIDRKV-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO COCc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000922537395 626304608 /nfs/dbraw/zinc/30/46/08/626304608.db2.gz FFEXUHPZDOKMAW-SNVBAGLBSA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c(Cl)c1 ZINC000759059137 626626492 /nfs/dbraw/zinc/62/64/92/626626492.db2.gz WDALZNVWQSOCRX-UHFFFAOYSA-N 1 2 278.699 2.506 20 5 CFBDLO CN(C)c1cc(COc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000782110101 628605553 /nfs/dbraw/zinc/60/55/53/628605553.db2.gz KBDQSLMXQSRIKM-UHFFFAOYSA-N 1 2 273.292 2.635 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000783665038 628732345 /nfs/dbraw/zinc/73/23/45/628732345.db2.gz QLDMGXSOQYLNJK-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000783665038 628732347 /nfs/dbraw/zinc/73/23/47/628732347.db2.gz QLDMGXSOQYLNJK-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927975 638662606 /nfs/dbraw/zinc/66/26/06/638662606.db2.gz MOBITTUNLUEXSV-JTQLQIEISA-N 1 2 285.294 2.580 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927975 638662610 /nfs/dbraw/zinc/66/26/10/638662610.db2.gz MOBITTUNLUEXSV-JTQLQIEISA-N 1 2 285.294 2.580 20 5 CFBDLO CCc1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872036120 641568275 /nfs/dbraw/zinc/56/82/75/641568275.db2.gz RWSCQNJBOYJCJJ-VIFPVBQESA-N 1 2 292.314 2.870 20 5 CFBDLO Cc1c(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cnn1C ZINC000872050795 641585156 /nfs/dbraw/zinc/58/51/56/641585156.db2.gz FQYSTUJBPGCVFG-VIFPVBQESA-N 1 2 292.314 2.627 20 5 CFBDLO Cc1c(CNc2ccc(N(C)C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000873079505 642007567 /nfs/dbraw/zinc/00/75/67/642007567.db2.gz GFJNSHPZBXNDEI-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO Cc1ccc(NC2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)[nH+]1 ZINC000877115452 643158945 /nfs/dbraw/zinc/15/89/45/643158945.db2.gz HUYCBDANGUOUGT-UHFFFAOYSA-N 1 2 287.323 2.619 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000886049004 646842470 /nfs/dbraw/zinc/84/24/70/646842470.db2.gz CXEWUUSIVWKHOQ-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000886049004 646842472 /nfs/dbraw/zinc/84/24/72/646842472.db2.gz CXEWUUSIVWKHOQ-ZDUSSCGKSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1csc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])n1 ZINC000886067229 646851644 /nfs/dbraw/zinc/85/16/44/646851644.db2.gz ISQKEBUVVBMKEB-UHFFFAOYSA-N 1 2 292.364 2.780 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000886111644 646877135 /nfs/dbraw/zinc/87/71/35/646877135.db2.gz GADUUSLZOVUZRJ-UHFFFAOYSA-N 1 2 287.294 2.908 20 5 CFBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)nn1 ZINC000929165336 648992979 /nfs/dbraw/zinc/99/29/79/648992979.db2.gz SEEXRLYUMSLIJT-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)nn1 ZINC000929165336 648992981 /nfs/dbraw/zinc/99/29/81/648992981.db2.gz SEEXRLYUMSLIJT-UHFFFAOYSA-N 1 2 286.335 2.634 20 5 CFBDLO CN(C)c1ccc(Nc2cccc([N+](=O)[O-])c2F)c[nH+]1 ZINC001210378084 770275275 /nfs/dbraw/zinc/27/52/75/770275275.db2.gz AAHQZVDQSYAYRP-UHFFFAOYSA-N 1 2 276.271 2.939 20 5 CFBDLO Nc1cc(CNc2cc([N+](=O)[O-])ccc2Cl)cc[nH+]1 ZINC001167617143 770993250 /nfs/dbraw/zinc/99/32/50/770993250.db2.gz HVPHAQCMYZSCNE-UHFFFAOYSA-N 1 2 278.699 2.838 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225289059 775393602 /nfs/dbraw/zinc/39/36/02/775393602.db2.gz FXFVOKNUWGXLNH-AWEZNQCLSA-N 1 2 256.261 2.536 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226366205 775792104 /nfs/dbraw/zinc/79/21/04/775792104.db2.gz KEHDLKDGAWNWJD-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO CC(C)(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228934800 776662161 /nfs/dbraw/zinc/66/21/61/776662161.db2.gz UTOUFZRSXGVRHP-UHFFFAOYSA-N 1 2 285.731 2.505 20 5 CFBDLO CC(C)[NH+]1CC(Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230918083 777093023 /nfs/dbraw/zinc/09/30/23/777093023.db2.gz MGLGZNUWLZDFPX-UHFFFAOYSA-N 1 2 270.716 2.720 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710152610 781329496 /nfs/dbraw/zinc/32/94/96/781329496.db2.gz HMHCTYIYKCHBRS-QWRGUYRKSA-N 1 2 274.324 2.740 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595316142 349600424 /nfs/dbraw/zinc/60/04/24/349600424.db2.gz CNGGDWJDVHZXOW-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595316142 349600428 /nfs/dbraw/zinc/60/04/28/349600428.db2.gz CNGGDWJDVHZXOW-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[N@H+](CCC(F)(F)F)Cc1onc(C)c1[N+](=O)[O-] ZINC000595301347 349597136 /nfs/dbraw/zinc/59/71/36/349597136.db2.gz IWGJMPXQPBXWEQ-UHFFFAOYSA-N 1 2 281.234 2.666 20 5 CFBDLO CC[N@@H+](CCC(F)(F)F)Cc1onc(C)c1[N+](=O)[O-] ZINC000595301347 349597138 /nfs/dbraw/zinc/59/71/38/349597138.db2.gz IWGJMPXQPBXWEQ-UHFFFAOYSA-N 1 2 281.234 2.666 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595343018 349606482 /nfs/dbraw/zinc/60/64/82/349606482.db2.gz UWEVDEMGSUATBF-LBPRGKRZSA-N 1 2 273.292 2.838 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595343018 349606485 /nfs/dbraw/zinc/60/64/85/349606485.db2.gz UWEVDEMGSUATBF-LBPRGKRZSA-N 1 2 273.292 2.838 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000595396699 349615885 /nfs/dbraw/zinc/61/58/85/349615885.db2.gz DWAIUVYEXWXRRA-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000595396699 349615886 /nfs/dbraw/zinc/61/58/86/349615886.db2.gz DWAIUVYEXWXRRA-GFCCVEGCSA-N 1 2 288.307 2.623 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400891 349617381 /nfs/dbraw/zinc/61/73/81/349617381.db2.gz QMDUZYSXWZMJIX-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400891 349617382 /nfs/dbraw/zinc/61/73/82/349617382.db2.gz QMDUZYSXWZMJIX-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO COCC1=CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595439852 349626604 /nfs/dbraw/zinc/62/66/04/349626604.db2.gz AXFWIAIQHSBXAB-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO COCC1=CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595439852 349626606 /nfs/dbraw/zinc/62/66/06/349626606.db2.gz AXFWIAIQHSBXAB-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000595449949 349629903 /nfs/dbraw/zinc/62/99/03/349629903.db2.gz MSGVYGIAEPXRFT-OUAUKWLOSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000595449949 349629906 /nfs/dbraw/zinc/62/99/06/349629906.db2.gz MSGVYGIAEPXRFT-OUAUKWLOSA-N 1 2 282.315 2.732 20 5 CFBDLO CC[C@@H](C)[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413144404 529404788 /nfs/dbraw/zinc/40/47/88/529404788.db2.gz TWKKAPRKRLUVTF-YGRLFVJLSA-N 1 2 289.335 2.962 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467574 349636018 /nfs/dbraw/zinc/63/60/18/349636018.db2.gz HXMJFLBWWYBVHS-JGVFFNPUSA-N 1 2 293.245 2.664 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[N+](=O)[O-] ZINC000595467574 349636020 /nfs/dbraw/zinc/63/60/20/349636020.db2.gz HXMJFLBWWYBVHS-JGVFFNPUSA-N 1 2 293.245 2.664 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000595474093 349637538 /nfs/dbraw/zinc/63/75/38/349637538.db2.gz CWFPWLLTPIYPLF-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000595474093 349637540 /nfs/dbraw/zinc/63/75/40/349637540.db2.gz CWFPWLLTPIYPLF-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccsc2)c1[N+](=O)[O-] ZINC000595477991 349638361 /nfs/dbraw/zinc/63/83/61/349638361.db2.gz XVUCKTRDFMAIKW-ZETCQYMHSA-N 1 2 267.310 2.804 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000595536226 349653256 /nfs/dbraw/zinc/65/32/56/349653256.db2.gz WJNLJCWVXXFUEU-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000595536226 349653263 /nfs/dbraw/zinc/65/32/63/349653263.db2.gz WJNLJCWVXXFUEU-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595625818 349682120 /nfs/dbraw/zinc/68/21/20/349682120.db2.gz ORUFFVLNRJGHDM-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595625818 349682123 /nfs/dbraw/zinc/68/21/23/349682123.db2.gz ORUFFVLNRJGHDM-HNNXBMFYSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000595711777 349714060 /nfs/dbraw/zinc/71/40/60/349714060.db2.gz DDNWLZLSBOSCIQ-IJLUTSLNSA-N 1 2 276.336 2.813 20 5 CFBDLO CCc1[nH+]c(C)ccc1OCc1onc(C)c1[N+](=O)[O-] ZINC000596273255 349849995 /nfs/dbraw/zinc/84/99/95/349849995.db2.gz HEFMGNJPGAGDCY-UHFFFAOYSA-N 1 2 277.280 2.736 20 5 CFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1Cl ZINC000018060012 346241168 /nfs/dbraw/zinc/24/11/68/346241168.db2.gz LGRJTQMIHSQHRJ-UHFFFAOYSA-N 1 2 280.715 2.618 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000054342872 346565746 /nfs/dbraw/zinc/56/57/46/346565746.db2.gz NBHXDHSUXZOXCY-LSDHHAIUSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000054342872 346565749 /nfs/dbraw/zinc/56/57/49/346565749.db2.gz NBHXDHSUXZOXCY-LSDHHAIUSA-N 1 2 276.336 2.657 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cn[nH]c1 ZINC000085825642 347483335 /nfs/dbraw/zinc/48/33/35/347483335.db2.gz RQZPCHYEJQYDTK-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cn[nH]c1 ZINC000085825642 347483340 /nfs/dbraw/zinc/48/33/40/347483340.db2.gz RQZPCHYEJQYDTK-JTQLQIEISA-N 1 2 260.297 2.511 20 5 CFBDLO Cc1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000088727621 347508473 /nfs/dbraw/zinc/50/84/73/347508473.db2.gz DTHLEHRUZDDJNC-LLVKDONJSA-N 1 2 287.323 2.753 20 5 CFBDLO CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091919171 347602951 /nfs/dbraw/zinc/60/29/51/347602951.db2.gz CMIXNWITCDZBIU-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000091919171 347602956 /nfs/dbraw/zinc/60/29/56/347602956.db2.gz CMIXNWITCDZBIU-NSHDSACASA-N 1 2 264.325 2.922 20 5 CFBDLO CSC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093760615 347682782 /nfs/dbraw/zinc/68/27/82/347682782.db2.gz WQVQZSUTVGDRAZ-NSHDSACASA-N 1 2 282.365 2.628 20 5 CFBDLO CSC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093760615 347682784 /nfs/dbraw/zinc/68/27/84/347682784.db2.gz WQVQZSUTVGDRAZ-NSHDSACASA-N 1 2 282.365 2.628 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000093441793 347674279 /nfs/dbraw/zinc/67/42/79/347674279.db2.gz DGVVRJDKVWBOBW-TXEJJXNPSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000093441793 347674284 /nfs/dbraw/zinc/67/42/84/347674284.db2.gz DGVVRJDKVWBOBW-TXEJJXNPSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000144793595 347942192 /nfs/dbraw/zinc/94/21/92/347942192.db2.gz MFUUUJIIYZBLBT-UHFFFAOYSA-N 1 2 272.308 2.702 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000144793595 347942195 /nfs/dbraw/zinc/94/21/95/347942195.db2.gz MFUUUJIIYZBLBT-UHFFFAOYSA-N 1 2 272.308 2.702 20 5 CFBDLO CCc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000223668445 348174851 /nfs/dbraw/zinc/17/48/51/348174851.db2.gz WQVXQHMYQRAFDB-SNVBAGLBSA-N 1 2 275.308 2.996 20 5 CFBDLO COC[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413080944 233014938 /nfs/dbraw/zinc/01/49/38/233014938.db2.gz GFTPAEPRDOSBMD-SNVBAGLBSA-N 1 2 275.308 2.837 20 5 CFBDLO C[C@@](O)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413132403 233022783 /nfs/dbraw/zinc/02/27/83/233022783.db2.gz GKEULHCBZKJRAS-OAHLLOKOSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1c[nH]c[nH+]1 ZINC000589514072 348837001 /nfs/dbraw/zinc/83/70/01/348837001.db2.gz BIQQPIYGRJRCPY-JTQLQIEISA-N 1 2 260.297 2.751 20 5 CFBDLO O=[N+]([O-])c1sccc1NCc1ccn2cc[nH+]c2c1 ZINC000589583673 348839651 /nfs/dbraw/zinc/83/96/51/348839651.db2.gz PERCUEDKKPCQGX-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000590969228 348974843 /nfs/dbraw/zinc/97/48/43/348974843.db2.gz UFHKKKZIWPSKDQ-UHFFFAOYSA-N 1 2 274.242 2.979 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000591150292 348993587 /nfs/dbraw/zinc/99/35/87/348993587.db2.gz WGQAOPJTELZJDO-NSHDSACASA-N 1 2 291.286 2.584 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118400 349214136 /nfs/dbraw/zinc/21/41/36/349214136.db2.gz QZCTVSVZTUELEQ-GFCCVEGCSA-N 1 2 284.262 2.532 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118400 349214139 /nfs/dbraw/zinc/21/41/39/349214139.db2.gz QZCTVSVZTUELEQ-GFCCVEGCSA-N 1 2 284.262 2.532 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593062793 349199097 /nfs/dbraw/zinc/19/90/97/349199097.db2.gz JABUAQSEZBCQTK-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593062793 349199100 /nfs/dbraw/zinc/19/91/00/349199100.db2.gz JABUAQSEZBCQTK-BXUZGUMPSA-N 1 2 264.325 2.594 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593063796 349199387 /nfs/dbraw/zinc/19/93/87/349199387.db2.gz NURJUDLIWVANGB-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593063796 349199389 /nfs/dbraw/zinc/19/93/89/349199389.db2.gz NURJUDLIWVANGB-AAEUAGOBSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@@H](Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@H](C)CO ZINC000599045468 350364595 /nfs/dbraw/zinc/36/45/95/350364595.db2.gz AYLDLNVZXCWPEM-NXEZZACHSA-N 1 2 275.308 2.572 20 5 CFBDLO C/C=C/C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599078738 350371564 /nfs/dbraw/zinc/37/15/64/350371564.db2.gz DTJNBIQNILXYFG-XGACYXMMSA-N 1 2 286.335 2.583 20 5 CFBDLO O=[N+]([O-])c1c(NCC2=CCCOC2)ccc2c[nH+]ccc21 ZINC000599084706 350373535 /nfs/dbraw/zinc/37/35/35/350373535.db2.gz FVBSPNHOVAKGMR-UHFFFAOYSA-N 1 2 285.303 2.902 20 5 CFBDLO COCC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599100730 350375998 /nfs/dbraw/zinc/37/59/98/350375998.db2.gz MRKDRURDPJSIMZ-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000599106268 350376416 /nfs/dbraw/zinc/37/64/16/350376416.db2.gz DIKHEEYSVZYCOM-GHMZBOCLSA-N 1 2 299.330 2.804 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000107294581 186167737 /nfs/dbraw/zinc/16/77/37/186167737.db2.gz LIYRRTHAKUDWMT-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cn1cc[nH+]c1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000600570314 350572917 /nfs/dbraw/zinc/57/29/17/350572917.db2.gz SKGIDGMWJVJLLE-UHFFFAOYSA-N 1 2 293.348 2.641 20 5 CFBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602633690 350954412 /nfs/dbraw/zinc/95/44/12/350954412.db2.gz NSNVNHPQTVMIBV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1cc(C)cc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602633690 350954415 /nfs/dbraw/zinc/95/44/15/350954415.db2.gz NSNVNHPQTVMIBV-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO O=[N+]([O-])c1ncccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000603848743 351185481 /nfs/dbraw/zinc/18/54/81/351185481.db2.gz SWBFADQTEUHXNY-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000603847838 351185556 /nfs/dbraw/zinc/18/55/56/351185556.db2.gz ZOMDGULISVQQBX-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO Cc1ncc2c(n1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000603847838 351185558 /nfs/dbraw/zinc/18/55/58/351185558.db2.gz ZOMDGULISVQQBX-UHFFFAOYSA-N 1 2 298.346 2.560 20 5 CFBDLO COc1cc[nH+]cc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000431507885 383678747 /nfs/dbraw/zinc/67/87/47/383678747.db2.gz PIJILCQAXXJQEP-UHFFFAOYSA-N 1 2 277.255 2.750 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(CC(F)C3)C2)cs1 ZINC000611080213 351638309 /nfs/dbraw/zinc/63/83/09/351638309.db2.gz IXCVWYCBKXUCFT-UHFFFAOYSA-N 1 2 256.302 2.590 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516990 351702780 /nfs/dbraw/zinc/70/27/80/351702780.db2.gz RFZQIJWLPMZKTE-PWSUYJOCSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516990 351702784 /nfs/dbraw/zinc/70/27/84/351702784.db2.gz RFZQIJWLPMZKTE-PWSUYJOCSA-N 1 2 282.315 2.783 20 5 CFBDLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC000123084424 187070725 /nfs/dbraw/zinc/07/07/25/187070725.db2.gz OWIWOSNOFVDRHW-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000271540093 191200061 /nfs/dbraw/zinc/20/00/61/191200061.db2.gz QQYXURKTYPNSEM-VHSXEESVSA-N 1 2 289.339 2.687 20 5 CFBDLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC000292167730 198188978 /nfs/dbraw/zinc/18/89/78/198188978.db2.gz PGXBABUQQGSPPI-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000292303428 198236658 /nfs/dbraw/zinc/23/66/58/198236658.db2.gz AAZCOOFGQXHPPI-SNVBAGLBSA-N 1 2 289.339 2.687 20 5 CFBDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])cn1 ZINC000292530152 198321341 /nfs/dbraw/zinc/32/13/41/198321341.db2.gz AARMIIKULFQNDL-UHFFFAOYSA-N 1 2 274.324 2.920 20 5 CFBDLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301631185 201106178 /nfs/dbraw/zinc/10/61/78/201106178.db2.gz JEPUTSWVPQIKKD-UHFFFAOYSA-N 1 2 273.296 2.503 20 5 CFBDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301619491 201098796 /nfs/dbraw/zinc/09/87/96/201098796.db2.gz BYVFSFICNUVIFW-OAHLLOKOSA-N 1 2 299.330 2.956 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000183381867 189357520 /nfs/dbraw/zinc/35/75/20/189357520.db2.gz UYFQPVYBKXPZBO-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000183381867 189357521 /nfs/dbraw/zinc/35/75/21/189357521.db2.gz UYFQPVYBKXPZBO-GFCCVEGCSA-N 1 2 294.351 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(CNc2cccc(CO)[nH+]2)c(Cl)c1 ZINC000432747567 240037860 /nfs/dbraw/zinc/03/78/60/240037860.db2.gz KQGRUOUYAYAIFO-UHFFFAOYSA-N 1 2 293.710 2.748 20 5 CFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449563142 242034702 /nfs/dbraw/zinc/03/47/02/242034702.db2.gz RTOOJQUSDPIDIK-JTQLQIEISA-N 1 2 292.314 2.801 20 5 CFBDLO C[C@H]1[N@H+](Cc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000330609250 203034006 /nfs/dbraw/zinc/03/40/06/203034006.db2.gz LVYANOASWALQAJ-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@H]1[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCOC1(C)C ZINC000330609250 203034008 /nfs/dbraw/zinc/03/40/08/203034008.db2.gz LVYANOASWALQAJ-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C)o1 ZINC000459674152 245268080 /nfs/dbraw/zinc/26/80/80/245268080.db2.gz KFIPHYQRTATCPP-UHFFFAOYSA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOCC3)c(Cl)c1 ZINC000459617894 245242868 /nfs/dbraw/zinc/24/28/68/245242868.db2.gz JVHQZONGNAEEPI-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459773596 245317696 /nfs/dbraw/zinc/31/76/96/245317696.db2.gz CEPFNJBXCFVNCL-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000033394616 372492844 /nfs/dbraw/zinc/49/28/44/372492844.db2.gz KUPZNMSOLPZTTB-BXLSQVKPSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000033394616 372492852 /nfs/dbraw/zinc/49/28/52/372492852.db2.gz KUPZNMSOLPZTTB-BXLSQVKPSA-N 1 2 276.336 2.717 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000036950040 372614765 /nfs/dbraw/zinc/61/47/65/372614765.db2.gz QOFHFWZQCORZFK-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc(C)n1 ZINC000041011007 372803268 /nfs/dbraw/zinc/80/32/68/372803268.db2.gz NSABQCHLMFXUIL-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO C[N@H+](CCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000064635231 373832834 /nfs/dbraw/zinc/83/28/34/373832834.db2.gz MTNPNVJKZTYYOU-UHFFFAOYSA-N 1 2 262.231 2.979 20 5 CFBDLO C[N@@H+](CCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000064635231 373832840 /nfs/dbraw/zinc/83/28/40/373832840.db2.gz MTNPNVJKZTYYOU-UHFFFAOYSA-N 1 2 262.231 2.979 20 5 CFBDLO Cc1cc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000492256546 246234473 /nfs/dbraw/zinc/23/44/73/246234473.db2.gz BRYAOQXIUUSFSF-VOTSOKGWSA-N 1 2 297.314 2.680 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccco1)CC2 ZINC000093338223 375218278 /nfs/dbraw/zinc/21/82/78/375218278.db2.gz GMHLVWQDOAQVKZ-UHFFFAOYSA-N 1 2 258.277 2.746 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccco1)CC2 ZINC000093338223 375218284 /nfs/dbraw/zinc/21/82/84/375218284.db2.gz GMHLVWQDOAQVKZ-UHFFFAOYSA-N 1 2 258.277 2.746 20 5 CFBDLO Cc1ncsc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338392 375218731 /nfs/dbraw/zinc/21/87/31/375218731.db2.gz UMUOHTWZPMFZPI-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO Cc1ncsc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338392 375218738 /nfs/dbraw/zinc/21/87/38/375218738.db2.gz UMUOHTWZPMFZPI-UHFFFAOYSA-N 1 2 289.360 2.918 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000113941062 376043015 /nfs/dbraw/zinc/04/30/15/376043015.db2.gz UCBBVVJWSRGZGY-OAHLLOKOSA-N 1 2 278.352 2.842 20 5 CFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000113941062 376043023 /nfs/dbraw/zinc/04/30/23/376043023.db2.gz UCBBVVJWSRGZGY-OAHLLOKOSA-N 1 2 278.352 2.842 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000131770580 377758292 /nfs/dbraw/zinc/75/82/92/377758292.db2.gz KQUMPXVJVBUMRI-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000131770580 377758299 /nfs/dbraw/zinc/75/82/99/377758299.db2.gz KQUMPXVJVBUMRI-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)c1[nH]cc[nH+]1 ZINC000140625328 378240547 /nfs/dbraw/zinc/24/05/47/378240547.db2.gz QRGVSAUXHWJBGY-LBPRGKRZSA-N 1 2 288.307 2.507 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000331133211 378638912 /nfs/dbraw/zinc/63/89/12/378638912.db2.gz ULBOKOIJTBDOMB-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000331133211 378638918 /nfs/dbraw/zinc/63/89/18/378638918.db2.gz ULBOKOIJTBDOMB-NSHDSACASA-N 1 2 294.351 2.603 20 5 CFBDLO CC1=CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332255731 378739765 /nfs/dbraw/zinc/73/97/65/378739765.db2.gz UYFHPHLXTNALEW-UHFFFAOYSA-N 1 2 272.308 2.623 20 5 CFBDLO CC1=CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332255731 378739768 /nfs/dbraw/zinc/73/97/68/378739768.db2.gz UYFHPHLXTNALEW-UHFFFAOYSA-N 1 2 272.308 2.623 20 5 CFBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000163248856 378962001 /nfs/dbraw/zinc/96/20/01/378962001.db2.gz KHXISKUYNPXYDD-VIFPVBQESA-N 1 2 263.322 2.902 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278723069 194121750 /nfs/dbraw/zinc/12/17/50/194121750.db2.gz VHCGYJOREMCAOD-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278723069 194121752 /nfs/dbraw/zinc/12/17/52/194121752.db2.gz VHCGYJOREMCAOD-CQSZACIVSA-N 1 2 272.308 2.655 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432308104 383735005 /nfs/dbraw/zinc/73/50/05/383735005.db2.gz QOONRMGMPJOUBJ-UHFFFAOYSA-N 1 2 283.291 2.503 20 5 CFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]c(C2CC2)n1 ZINC000171813975 379407883 /nfs/dbraw/zinc/40/78/83/379407883.db2.gz PXRIEBSUJKKTGB-UHFFFAOYSA-N 1 2 284.319 2.899 20 5 CFBDLO Cc1cn2c([nH+]1)CN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000367844407 380843227 /nfs/dbraw/zinc/84/32/27/380843227.db2.gz VPRLTVUGOJHCRA-UHFFFAOYSA-N 1 2 292.726 2.773 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279240351 194348709 /nfs/dbraw/zinc/34/87/09/194348709.db2.gz FXFZWMILTDIIIZ-NHYWBVRUSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000279240351 194348711 /nfs/dbraw/zinc/34/87/11/194348711.db2.gz FXFZWMILTDIIIZ-NHYWBVRUSA-N 1 2 276.336 2.594 20 5 CFBDLO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000295793213 381079157 /nfs/dbraw/zinc/07/91/57/381079157.db2.gz RRWVFRYYAWYBFJ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO CC(C)n1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000289886562 381202072 /nfs/dbraw/zinc/20/20/72/381202072.db2.gz XODCJUABXIZDON-NSHDSACASA-N 1 2 289.339 2.618 20 5 CFBDLO Cc1cnc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000354385245 381237992 /nfs/dbraw/zinc/23/79/92/381237992.db2.gz ICTOHSZGTAVTIS-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000370047733 381372479 /nfs/dbraw/zinc/37/24/79/381372479.db2.gz ZZBRUAVHCROJNP-UHFFFAOYSA-N 1 2 298.346 2.618 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000370047733 381372482 /nfs/dbraw/zinc/37/24/82/381372482.db2.gz ZZBRUAVHCROJNP-UHFFFAOYSA-N 1 2 298.346 2.618 20 5 CFBDLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296540197 381438975 /nfs/dbraw/zinc/43/89/75/381438975.db2.gz DZSOAXZIWWGYOC-UWVGGRQHSA-N 1 2 290.323 2.952 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348238753 381474768 /nfs/dbraw/zinc/47/47/68/381474768.db2.gz ZGGXAOFNVUOWKB-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000348238753 381474770 /nfs/dbraw/zinc/47/47/70/381474770.db2.gz ZGGXAOFNVUOWKB-MEBBXXQBSA-N 1 2 294.326 2.733 20 5 CFBDLO Cc1cc(NCCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000291022972 381637104 /nfs/dbraw/zinc/63/71/04/381637104.db2.gz WGSUHNQGZMFJRM-UHFFFAOYSA-N 1 2 278.287 2.741 20 5 CFBDLO Cc1noc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000356933490 381911698 /nfs/dbraw/zinc/91/16/98/381911698.db2.gz ZZLBDIJFHOUMCZ-BREXMAIKSA-N 1 2 288.307 2.650 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000357457543 382179840 /nfs/dbraw/zinc/17/98/40/382179840.db2.gz WMIVWXLIPGPTTE-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1ccc2[nH+]c(CNc3nc(C)ccc3[N+](=O)[O-])cn2c1 ZINC000357552561 382223256 /nfs/dbraw/zinc/22/32/56/382223256.db2.gz SRSMMAPYKFWHMU-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO COc1cc(C[N@@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OC ZINC000293896149 382326189 /nfs/dbraw/zinc/32/61/89/382326189.db2.gz FCKFWROGNWHQMR-NSHDSACASA-N 1 2 298.314 2.546 20 5 CFBDLO COc1cc(C[N@H+]2CCC[C@H]2CF)c([N+](=O)[O-])cc1OC ZINC000293896149 382326193 /nfs/dbraw/zinc/32/61/93/382326193.db2.gz FCKFWROGNWHQMR-NSHDSACASA-N 1 2 298.314 2.546 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294030764 382386513 /nfs/dbraw/zinc/38/65/13/382386513.db2.gz OFVHFEOSKHHUCV-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294030764 382386518 /nfs/dbraw/zinc/38/65/18/382386518.db2.gz OFVHFEOSKHHUCV-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO C[C@@H](c1ccccn1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352673693 382447712 /nfs/dbraw/zinc/44/77/12/382447712.db2.gz ASLAEDVWIUMYNM-LBPRGKRZSA-N 1 2 299.330 2.945 20 5 CFBDLO C[C@@H](c1ccccn1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352673693 382447717 /nfs/dbraw/zinc/44/77/17/382447717.db2.gz ASLAEDVWIUMYNM-LBPRGKRZSA-N 1 2 299.330 2.945 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421573577 382586839 /nfs/dbraw/zinc/58/68/39/382586839.db2.gz BKOYGEUMEQJYAP-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1cc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421564382 382581344 /nfs/dbraw/zinc/58/13/44/382581344.db2.gz YXELCEVWYRRJND-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190814941 382681322 /nfs/dbraw/zinc/68/13/22/382681322.db2.gz UNMSTNHCLOABSW-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190814941 382681323 /nfs/dbraw/zinc/68/13/23/382681323.db2.gz UNMSTNHCLOABSW-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO CCc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000231635088 382865530 /nfs/dbraw/zinc/86/55/30/382865530.db2.gz RORAYIRGGGVFIQ-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccncc1F ZINC000337945985 382876528 /nfs/dbraw/zinc/87/65/28/382876528.db2.gz FSDNFCPQUFWZJI-VIFPVBQESA-N 1 2 291.282 2.685 20 5 CFBDLO CC[N@H+](Cc1ccncc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339060530 383136085 /nfs/dbraw/zinc/13/60/85/383136085.db2.gz JPWXZNUVVFWQGI-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO CC[N@@H+](Cc1ccncc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339060530 383136090 /nfs/dbraw/zinc/13/60/90/383136090.db2.gz JPWXZNUVVFWQGI-UHFFFAOYSA-N 1 2 287.319 2.718 20 5 CFBDLO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339083975 383143835 /nfs/dbraw/zinc/14/38/35/383143835.db2.gz OOKHTZCYMHMVSA-VHSXEESVSA-N 1 2 252.314 2.825 20 5 CFBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000339001426 383115352 /nfs/dbraw/zinc/11/53/52/383115352.db2.gz GBXZJYJJLAUCAF-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000339001426 383115358 /nfs/dbraw/zinc/11/53/58/383115358.db2.gz GBXZJYJJLAUCAF-UHFFFAOYSA-N 1 2 250.298 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000339196630 383183287 /nfs/dbraw/zinc/18/32/87/383183287.db2.gz ALWWRUQZNLUJCP-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000339196630 383183288 /nfs/dbraw/zinc/18/32/88/383183288.db2.gz ALWWRUQZNLUJCP-GFCCVEGCSA-N 1 2 276.336 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000339099677 383149124 /nfs/dbraw/zinc/14/91/24/383149124.db2.gz NZXZNXDTKLWMIE-ZWNOBZJWSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000339099677 383149127 /nfs/dbraw/zinc/14/91/27/383149127.db2.gz NZXZNXDTKLWMIE-ZWNOBZJWSA-N 1 2 262.309 2.675 20 5 CFBDLO CC1=C(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339146902 383166407 /nfs/dbraw/zinc/16/64/07/383166407.db2.gz AXSNYPIEOOMYMM-UHFFFAOYSA-N 1 2 262.309 2.843 20 5 CFBDLO CC1=C(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339146902 383166414 /nfs/dbraw/zinc/16/64/14/383166414.db2.gz AXSNYPIEOOMYMM-UHFFFAOYSA-N 1 2 262.309 2.843 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567796404 383317755 /nfs/dbraw/zinc/31/77/55/383317755.db2.gz AQOCSBBXFKHJBM-ZDUSSCGKSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567796404 383317757 /nfs/dbraw/zinc/31/77/57/383317757.db2.gz AQOCSBBXFKHJBM-ZDUSSCGKSA-N 1 2 299.330 2.685 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000450827385 383508163 /nfs/dbraw/zinc/50/81/63/383508163.db2.gz HQBRVNUXAFISPD-OIBJUYFYSA-N 1 2 293.714 2.958 20 5 CFBDLO Cc1ccc(C)c(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000429294601 383513930 /nfs/dbraw/zinc/51/39/30/383513930.db2.gz NINSJEYMIKOWRX-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1ccc(C)c(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000429294601 383513934 /nfs/dbraw/zinc/51/39/34/383513934.db2.gz NINSJEYMIKOWRX-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1ccc2nc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cn2c1 ZINC000341038344 383539604 /nfs/dbraw/zinc/53/96/04/383539604.db2.gz BVOMYVCWJXVRDK-UHFFFAOYSA-N 1 2 296.330 2.841 20 5 CFBDLO Cc1cc(NC[C@@H]2C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000489161077 383598347 /nfs/dbraw/zinc/59/83/47/383598347.db2.gz HSCVCVDIKRFQQO-MFKMUULPSA-N 1 2 298.346 2.850 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000431418476 383669905 /nfs/dbraw/zinc/66/99/05/383669905.db2.gz ZARJTWTVMSIZNW-UHFFFAOYSA-N 1 2 273.292 2.919 20 5 CFBDLO Cc1c(C[N@H+](C)Cc2ccon2)cccc1[N+](=O)[O-] ZINC000265745931 383990129 /nfs/dbraw/zinc/99/01/29/383990129.db2.gz DFTQXYMJOGLGCF-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1c(C[N@@H+](C)Cc2ccon2)cccc1[N+](=O)[O-] ZINC000265745931 383990140 /nfs/dbraw/zinc/99/01/40/383990140.db2.gz DFTQXYMJOGLGCF-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000574171358 384057550 /nfs/dbraw/zinc/05/75/50/384057550.db2.gz WHCYVHHPDAMOCY-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000574171358 384057556 /nfs/dbraw/zinc/05/75/56/384057556.db2.gz WHCYVHHPDAMOCY-JTQLQIEISA-N 1 2 290.323 2.788 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000339053791 285136858 /nfs/dbraw/zinc/13/68/58/285136858.db2.gz KSBFWLBLQJKUNJ-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000339053791 285136860 /nfs/dbraw/zinc/13/68/60/285136860.db2.gz KSBFWLBLQJKUNJ-UHFFFAOYSA-N 1 2 299.330 2.860 20 5 CFBDLO Cc1ccncc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000269718353 384849674 /nfs/dbraw/zinc/84/96/74/384849674.db2.gz SQZMXXWXODCQSA-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO Cc1ccncc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000269718353 384849684 /nfs/dbraw/zinc/84/96/84/384849684.db2.gz SQZMXXWXODCQSA-UHFFFAOYSA-N 1 2 271.320 2.930 20 5 CFBDLO COc1ccncc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000287292795 385820125 /nfs/dbraw/zinc/82/01/25/385820125.db2.gz MHLJZQQATBJQDG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccncc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000287292795 385820129 /nfs/dbraw/zinc/82/01/29/385820129.db2.gz MHLJZQQATBJQDG-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO Cc1ccc(Cc2noc(-c3ccccc3[N+](=O)[O-])n2)c[nH+]1 ZINC000356132678 130377756 /nfs/dbraw/zinc/37/77/56/130377756.db2.gz VOZZABMHKIQYQO-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO Cc1ccncc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332520147 393561848 /nfs/dbraw/zinc/56/18/48/393561848.db2.gz OZKSUYNIIDYANT-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccncc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332520147 393561852 /nfs/dbraw/zinc/56/18/52/393561852.db2.gz OZKSUYNIIDYANT-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000093443784 393798957 /nfs/dbraw/zinc/79/89/57/393798957.db2.gz MEHJGTWKWXIKGZ-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000093443784 393798959 /nfs/dbraw/zinc/79/89/59/393798959.db2.gz MEHJGTWKWXIKGZ-UHFFFAOYSA-N 1 2 284.315 2.859 20 5 CFBDLO Cc1cccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000428754669 393913196 /nfs/dbraw/zinc/91/31/96/393913196.db2.gz VKTSFTMQILWRBQ-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO Cc1cccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1C ZINC000428754669 393913202 /nfs/dbraw/zinc/91/32/02/393913202.db2.gz VKTSFTMQILWRBQ-UHFFFAOYSA-N 1 2 288.351 2.577 20 5 CFBDLO COc1cccc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134915206 394206209 /nfs/dbraw/zinc/20/62/09/394206209.db2.gz XCNGFUOYXRACRV-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000493883996 394334807 /nfs/dbraw/zinc/33/48/07/394334807.db2.gz USNFTGCFDGFSFL-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000493883996 394334809 /nfs/dbraw/zinc/33/48/09/394334809.db2.gz USNFTGCFDGFSFL-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510107260 394368163 /nfs/dbraw/zinc/36/81/63/394368163.db2.gz YTDGACPRYDKPPY-AOOOYVTPSA-N 1 2 284.743 2.857 20 5 CFBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000510107260 394368164 /nfs/dbraw/zinc/36/81/64/394368164.db2.gz YTDGACPRYDKPPY-AOOOYVTPSA-N 1 2 284.743 2.857 20 5 CFBDLO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000293546563 286220853 /nfs/dbraw/zinc/22/08/53/286220853.db2.gz YPYGIYWBRVJEPG-DTWKUNHWSA-N 1 2 268.288 2.583 20 5 CFBDLO COc1cc(C[N@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000293546563 286220854 /nfs/dbraw/zinc/22/08/54/286220854.db2.gz YPYGIYWBRVJEPG-DTWKUNHWSA-N 1 2 268.288 2.583 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000356523615 155291202 /nfs/dbraw/zinc/29/12/02/155291202.db2.gz MBPBTMXNYSLZCQ-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO Cc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000356523615 155291203 /nfs/dbraw/zinc/29/12/03/155291203.db2.gz MBPBTMXNYSLZCQ-UHFFFAOYSA-N 1 2 288.303 2.891 20 5 CFBDLO Cc1cnc(N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])c1 ZINC000343255050 154156764 /nfs/dbraw/zinc/15/67/64/154156764.db2.gz UIOLRKQIAXORGJ-LBPRGKRZSA-N 1 2 287.323 2.595 20 5 CFBDLO Cc1ccc(C[N@H+](CCO)Cc2csc([N+](=O)[O-])c2)o1 ZINC000355650167 155055207 /nfs/dbraw/zinc/05/52/07/155055207.db2.gz MEFMGEZSMFAAOS-UHFFFAOYSA-N 1 2 296.348 2.552 20 5 CFBDLO Cc1ccc(C[N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)o1 ZINC000355650167 155055212 /nfs/dbraw/zinc/05/52/12/155055212.db2.gz MEFMGEZSMFAAOS-UHFFFAOYSA-N 1 2 296.348 2.552 20 5 CFBDLO CC[C@H]([NH2+]Cc1nnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000342270859 161611241 /nfs/dbraw/zinc/61/12/41/161611241.db2.gz WYQOEPKIXHIYSS-LBPRGKRZSA-N 1 2 292.364 2.996 20 5 CFBDLO CCc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000343681344 161837255 /nfs/dbraw/zinc/83/72/55/161837255.db2.gz GIMZXLBVHGWWRS-SECBINFHSA-N 1 2 292.364 2.860 20 5 CFBDLO CN(C)c1ccc(NCC=Cc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000345028770 162164981 /nfs/dbraw/zinc/16/49/81/162164981.db2.gz DADICCFWXFJLJP-ALCCZGGFSA-N 1 2 298.346 2.603 20 5 CFBDLO CCCCOCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676745 163222130 /nfs/dbraw/zinc/22/21/30/163222130.db2.gz IRLXVRNLPHPQRN-UHFFFAOYSA-N 1 2 294.351 2.606 20 5 CFBDLO CCCCOCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352676745 163222131 /nfs/dbraw/zinc/22/21/31/163222131.db2.gz IRLXVRNLPHPQRN-UHFFFAOYSA-N 1 2 294.351 2.606 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000339081939 287040360 /nfs/dbraw/zinc/04/03/60/287040360.db2.gz OGFKCAKWKYYNAY-SNVBAGLBSA-N 1 2 273.292 2.546 20 5 CFBDLO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000044692595 175233710 /nfs/dbraw/zinc/23/37/10/175233710.db2.gz RHWAYMSEWAFESP-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO COc1c(C)c[nH+]c(COc2cccnc2[N+](=O)[O-])c1C ZINC000078807406 177391107 /nfs/dbraw/zinc/39/11/07/177391107.db2.gz KAXQDHUTSPUXGL-UHFFFAOYSA-N 1 2 289.291 2.589 20 5 CFBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000514683299 270349474 /nfs/dbraw/zinc/34/94/74/270349474.db2.gz RVLKCKGPONSXLT-HTQZYQBOSA-N 1 2 256.252 2.856 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000515349656 270369169 /nfs/dbraw/zinc/36/91/69/270369169.db2.gz BVWBPTAALJYOPO-SNVBAGLBSA-N 1 2 282.365 2.800 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC000515349656 270369171 /nfs/dbraw/zinc/36/91/71/270369171.db2.gz BVWBPTAALJYOPO-SNVBAGLBSA-N 1 2 282.365 2.800 20 5 CFBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413087775 276137010 /nfs/dbraw/zinc/13/70/10/276137010.db2.gz FKSDBDFYRVLSEP-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO CNc1c(C(=O)Nc2cc[nH+]cc2C)cccc1[N+](=O)[O-] ZINC000161486030 277301486 /nfs/dbraw/zinc/30/14/86/277301486.db2.gz CUFFEQWJSXEENG-UHFFFAOYSA-N 1 2 286.291 2.592 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC(C)(C)C1 ZINC000330618006 278310669 /nfs/dbraw/zinc/31/06/69/278310669.db2.gz XDETXPZUHRFMDK-LLVKDONJSA-N 1 2 264.325 2.767 20 5 CFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC(C)(C)C1 ZINC000330618006 278310670 /nfs/dbraw/zinc/31/06/70/278310670.db2.gz XDETXPZUHRFMDK-LLVKDONJSA-N 1 2 264.325 2.767 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295920075 280162263 /nfs/dbraw/zinc/16/22/63/280162263.db2.gz DYMUGBJIBTXARC-ZDUSSCGKSA-N 1 2 297.286 2.827 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000295920075 280162266 /nfs/dbraw/zinc/16/22/66/280162266.db2.gz DYMUGBJIBTXARC-ZDUSSCGKSA-N 1 2 297.286 2.827 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC000398435822 281206381 /nfs/dbraw/zinc/20/63/81/281206381.db2.gz XEFRRGOMYBPHFO-IUCAKERBSA-N 1 2 278.337 2.858 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1COCc1[nH]cc[nH+]1 ZINC000154670054 289900901 /nfs/dbraw/zinc/90/09/01/289900901.db2.gz YXOVPBBKVSMGQV-UHFFFAOYSA-N 1 2 267.672 2.688 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000563082038 290101822 /nfs/dbraw/zinc/10/18/22/290101822.db2.gz UMIHFQKLCZXUBW-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000563082038 290101823 /nfs/dbraw/zinc/10/18/23/290101823.db2.gz UMIHFQKLCZXUBW-GFCCVEGCSA-N 1 2 276.336 2.738 20 5 CFBDLO O=C1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000564341261 290204627 /nfs/dbraw/zinc/20/46/27/290204627.db2.gz AKCYJDOEGJHJPS-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO O=C1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000564341261 290204631 /nfs/dbraw/zinc/20/46/31/290204631.db2.gz AKCYJDOEGJHJPS-UHFFFAOYSA-N 1 2 274.320 2.682 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)F)CC1 ZINC000266526948 290266783 /nfs/dbraw/zinc/26/67/83/290266783.db2.gz KROWFNDQIDKHMZ-LLVKDONJSA-N 1 2 299.321 2.539 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1csnn1 ZINC000565219644 290283812 /nfs/dbraw/zinc/28/38/12/290283812.db2.gz XKCICCPJKBRPEW-LDYMZIIASA-N 1 2 290.348 2.784 20 5 CFBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000391792201 501010916 /nfs/dbraw/zinc/01/09/16/501010916.db2.gz AMZGEPFFYJRSQS-MRVPVSSYSA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000413149377 534100028 /nfs/dbraw/zinc/10/00/28/534100028.db2.gz BKLFIQUCAMVQOK-MNOVXSKESA-N 1 2 289.335 2.962 20 5 CFBDLO CC(C)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000339970148 519821797 /nfs/dbraw/zinc/82/17/97/519821797.db2.gz OFDRMXYAFFXPHM-NSHDSACASA-N 1 2 261.285 2.522 20 5 CFBDLO CC(C)c1nc(NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000361285252 519877599 /nfs/dbraw/zinc/87/75/99/519877599.db2.gz CEXCUWDXKLCNAC-UHFFFAOYSA-N 1 2 286.335 2.585 20 5 CFBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000221224801 522968365 /nfs/dbraw/zinc/96/83/65/522968365.db2.gz BIQGYEBRIQCSPK-SECBINFHSA-N 1 2 281.703 2.930 20 5 CFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049236056 524965809 /nfs/dbraw/zinc/96/58/09/524965809.db2.gz URVORFLOZMNFAF-VIFPVBQESA-N 1 2 280.715 2.945 20 5 CFBDLO Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049236088 525309898 /nfs/dbraw/zinc/30/98/98/525309898.db2.gz NBTNEQPLGUPLBR-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOCC(F)F)c2c1 ZINC000413258396 534885339 /nfs/dbraw/zinc/88/53/39/534885339.db2.gz PJSFGMUYHLSTFE-UHFFFAOYSA-N 1 2 297.261 2.837 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000192805908 527367070 /nfs/dbraw/zinc/36/70/70/527367070.db2.gz NSYUSNVHXPHHDF-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1NCCNc1cccc[nH+]1 ZINC000341362034 527389792 /nfs/dbraw/zinc/38/97/92/527389792.db2.gz SOWIZDJEOBKVTR-UHFFFAOYSA-N 1 2 276.271 2.653 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360325676 527406785 /nfs/dbraw/zinc/40/67/85/527406785.db2.gz PPUPQYGKNJARMI-UHFFFAOYSA-N 1 2 295.302 2.788 20 5 CFBDLO CCOC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413332546 528462772 /nfs/dbraw/zinc/46/27/72/528462772.db2.gz QLNSLXPAVADWPM-UHFFFAOYSA-N 1 2 287.319 2.758 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744983 535853791 /nfs/dbraw/zinc/85/37/91/535853791.db2.gz RKUWJOVXZPQEII-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000268744983 535853795 /nfs/dbraw/zinc/85/37/95/535853795.db2.gz RKUWJOVXZPQEII-DGCLKSJQSA-N 1 2 294.351 2.603 20 5 CFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000505904037 536454337 /nfs/dbraw/zinc/45/43/37/536454337.db2.gz YQNUOTNXPGTFPX-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000505904037 536454340 /nfs/dbraw/zinc/45/43/40/536454340.db2.gz YQNUOTNXPGTFPX-NSHDSACASA-N 1 2 282.315 2.735 20 5 CFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000191653118 536626900 /nfs/dbraw/zinc/62/69/00/536626900.db2.gz WCRXARDZEPBYPQ-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000191653118 536626906 /nfs/dbraw/zinc/62/69/06/536626906.db2.gz WCRXARDZEPBYPQ-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO O=[N+]([O-])c1ccc2nc(NCCn3cc[nH+]c3)sc2c1 ZINC000731205589 574112658 /nfs/dbraw/zinc/11/26/58/574112658.db2.gz ADLQMRFNLTWMEA-UHFFFAOYSA-N 1 2 289.320 2.513 20 5 CFBDLO C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934480047 618051639 /nfs/dbraw/zinc/05/16/39/618051639.db2.gz FQQWDWNZAJKPGX-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@]1(C2CC2)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000934480047 618051643 /nfs/dbraw/zinc/05/16/43/618051643.db2.gz FQQWDWNZAJKPGX-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586986 619424869 /nfs/dbraw/zinc/42/48/69/619424869.db2.gz XTEWXJCTQNZGMX-WQLSENKSSA-N 1 2 286.335 2.853 20 5 CFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ncc[nH]1 ZINC000894586986 619424871 /nfs/dbraw/zinc/42/48/71/619424871.db2.gz XTEWXJCTQNZGMX-WQLSENKSSA-N 1 2 286.335 2.853 20 5 CFBDLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000895667170 619581630 /nfs/dbraw/zinc/58/16/30/619581630.db2.gz ATZKGQYLOKCZGC-SNVBAGLBSA-N 1 2 287.323 2.624 20 5 CFBDLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000895667170 619581634 /nfs/dbraw/zinc/58/16/34/619581634.db2.gz ATZKGQYLOKCZGC-SNVBAGLBSA-N 1 2 287.323 2.624 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1Cl ZINC000824525519 623516501 /nfs/dbraw/zinc/51/65/01/623516501.db2.gz AVQIJKCWJSVCCF-NSHDSACASA-N 1 2 292.726 2.679 20 5 CFBDLO O=[N+]([O-])CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000929828045 623858623 /nfs/dbraw/zinc/85/86/23/623858623.db2.gz XBNRQVOCYCOZJR-UHFFFAOYSA-N 1 2 264.300 2.582 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917425243 624342515 /nfs/dbraw/zinc/34/25/15/624342515.db2.gz VELFWUIYOKJEIM-CQSZACIVSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1ccc([C@H]2CCC[N@H+]2Cn2nccc2[N+](=O)[O-])cc1 ZINC000917425243 624342519 /nfs/dbraw/zinc/34/25/19/624342519.db2.gz VELFWUIYOKJEIM-CQSZACIVSA-N 1 2 286.335 2.894 20 5 CFBDLO CCc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)co1 ZINC000834899479 625914051 /nfs/dbraw/zinc/91/40/51/625914051.db2.gz HRPPUCRVZJAXOI-JTQLQIEISA-N 1 2 275.308 2.996 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187818 626530431 /nfs/dbraw/zinc/53/04/31/626530431.db2.gz PCZWRJJGEQNKMZ-YGRLFVJLSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187818 626530432 /nfs/dbraw/zinc/53/04/32/626530432.db2.gz PCZWRJJGEQNKMZ-YGRLFVJLSA-N 1 2 296.754 2.859 20 5 CFBDLO Cc1c([C@@H](C)[NH2+]Cc2ccon2)cccc1[N+](=O)[O-] ZINC000766422003 627201989 /nfs/dbraw/zinc/20/19/89/627201989.db2.gz ZEDBIJGGSKIQIS-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO COc1ccc[nH+]c1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000776252900 628122714 /nfs/dbraw/zinc/12/27/14/628122714.db2.gz GISOUTVDMJIEJZ-UHFFFAOYSA-N 1 2 273.292 2.919 20 5 CFBDLO CCc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000779852934 628414308 /nfs/dbraw/zinc/41/43/08/628414308.db2.gz CDYJTLMLLAMMPV-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO CCc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000779852934 628414310 /nfs/dbraw/zinc/41/43/10/628414310.db2.gz CDYJTLMLLAMMPV-UHFFFAOYSA-N 1 2 288.351 2.752 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962160 630264760 /nfs/dbraw/zinc/26/47/60/630264760.db2.gz JJUKGOSKMWIGQM-LBPRGKRZSA-N 1 2 299.330 2.685 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798962160 630264762 /nfs/dbraw/zinc/26/47/62/630264762.db2.gz JJUKGOSKMWIGQM-LBPRGKRZSA-N 1 2 299.330 2.685 20 5 CFBDLO COc1cc(NCc2c[nH+]cn2C)c(Cl)cc1[N+](=O)[O-] ZINC000853635818 635055447 /nfs/dbraw/zinc/05/54/47/635055447.db2.gz JTSKTHKQYBAUBQ-UHFFFAOYSA-N 1 2 296.714 2.602 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCc2[nH+]c[nH]c2C1 ZINC000859308523 636536875 /nfs/dbraw/zinc/53/68/75/636536875.db2.gz NNKOWRLMUABIDH-UHFFFAOYSA-N 1 2 292.726 2.530 20 5 CFBDLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1[N+](=O)[O-] ZINC000865521156 638393004 /nfs/dbraw/zinc/39/30/04/638393004.db2.gz MDEWEFRHJDUPMV-NSHDSACASA-N 1 2 286.335 2.977 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865927650 638661089 /nfs/dbraw/zinc/66/10/89/638661089.db2.gz FEMFNDSIECWIBT-SECBINFHSA-N 1 2 273.333 2.502 20 5 CFBDLO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865927650 638661092 /nfs/dbraw/zinc/66/10/92/638661092.db2.gz FEMFNDSIECWIBT-SECBINFHSA-N 1 2 273.333 2.502 20 5 CFBDLO Nc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000866691935 638866520 /nfs/dbraw/zinc/86/65/20/638866520.db2.gz SQGPBRRHXHABRZ-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO Nc1ccc2c(c1)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000866691935 638866521 /nfs/dbraw/zinc/86/65/21/638866521.db2.gz SQGPBRRHXHABRZ-UHFFFAOYSA-N 1 2 299.330 2.572 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038649 641572325 /nfs/dbraw/zinc/57/23/25/641572325.db2.gz NVZQQTPATPPUFS-VHSXEESVSA-N 1 2 292.314 2.879 20 5 CFBDLO Cc1c[nH+]c(CCNc2ccnc(F)c2[N+](=O)[O-])c(C)c1 ZINC000882543599 645362661 /nfs/dbraw/zinc/36/26/61/645362661.db2.gz IVDVFTWRONDATJ-UHFFFAOYSA-N 1 2 290.298 2.795 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000886125330 646883531 /nfs/dbraw/zinc/88/35/31/646883531.db2.gz OJDCWYKCLKIUPD-LLVKDONJSA-N 1 2 292.364 2.996 20 5 CFBDLO Cc1csc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])n1 ZINC000886129989 646886321 /nfs/dbraw/zinc/88/63/21/646886321.db2.gz SHDMXKARVYMJAL-SECBINFHSA-N 1 2 278.337 2.606 20 5 CFBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886301076 646958680 /nfs/dbraw/zinc/95/86/80/646958680.db2.gz VQNUTMTVFMWKON-VIFPVBQESA-N 1 2 271.267 2.609 20 5 CFBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886301076 646958684 /nfs/dbraw/zinc/95/86/84/646958684.db2.gz VQNUTMTVFMWKON-VIFPVBQESA-N 1 2 271.267 2.609 20 5 CFBDLO C[C@@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000926891274 648647453 /nfs/dbraw/zinc/64/74/53/648647453.db2.gz IKCSLIVOMGWNKV-BREBYQMCSA-N 1 2 287.323 2.543 20 5 CFBDLO C[N@H+](CCOC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929864171 649141899 /nfs/dbraw/zinc/14/18/99/649141899.db2.gz WBPPNSCHPFVHLH-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@@H+](CCOC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929864171 649141901 /nfs/dbraw/zinc/14/19/01/649141901.db2.gz WBPPNSCHPFVHLH-UHFFFAOYSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1noc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1[N+](=O)[O-] ZINC000934701162 649817300 /nfs/dbraw/zinc/81/73/00/649817300.db2.gz LMBOWTOGSRXUNF-CYBMUJFWSA-N 1 2 288.307 2.527 20 5 CFBDLO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000588441564 770699203 /nfs/dbraw/zinc/69/92/03/770699203.db2.gz BHWGNHMOPDKYOY-LUAWRHEFSA-N 1 2 297.314 2.762 20 5 CFBDLO Cc1c[nH+]c(Nc2cc(F)cc([N+](=O)[O-])c2)c(N)c1 ZINC001216481621 770944950 /nfs/dbraw/zinc/94/49/50/770944950.db2.gz VDLLAUFBGRGLRV-UHFFFAOYSA-N 1 2 262.244 2.763 20 5 CFBDLO Nc1cc(CNc2cc3cccnc3c([N+](=O)[O-])c2)cc[nH+]1 ZINC001167616714 770991443 /nfs/dbraw/zinc/99/14/43/770991443.db2.gz NIRZDSMHPNJTQD-UHFFFAOYSA-N 1 2 295.302 2.732 20 5 CFBDLO CC[NH+]1CC(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001229834927 776899211 /nfs/dbraw/zinc/89/92/11/776899211.db2.gz ZKDHWTPPRGQGLM-UHFFFAOYSA-N 1 2 290.241 2.697 20 5 CFBDLO CC(C)n1ccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594926689 349512207 /nfs/dbraw/zinc/51/22/07/349512207.db2.gz VIGUYRRXFUNJDJ-UHFFFAOYSA-N 1 2 274.324 2.662 20 5 CFBDLO Cc1c[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000594945739 349523611 /nfs/dbraw/zinc/52/36/11/349523611.db2.gz WOXINXDMILWITM-UHFFFAOYSA-N 1 2 274.324 2.651 20 5 CFBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cscn1 ZINC000594965374 349532976 /nfs/dbraw/zinc/53/29/76/349532976.db2.gz FZYAXTWITIKZPU-SSDOTTSWSA-N 1 2 269.351 2.964 20 5 CFBDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595064130 349572327 /nfs/dbraw/zinc/57/23/27/349572327.db2.gz CXKSTVRIZZFGQS-OUJBWJOFSA-N 1 2 287.323 2.543 20 5 CFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323732 349602451 /nfs/dbraw/zinc/60/24/51/349602451.db2.gz OAYXIMZVRXMROG-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595323732 349602453 /nfs/dbraw/zinc/60/24/53/349602453.db2.gz OAYXIMZVRXMROG-AWEZNQCLSA-N 1 2 296.342 2.981 20 5 CFBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])on1 ZINC000595299322 349595906 /nfs/dbraw/zinc/59/59/06/349595906.db2.gz XNHCGKOWGSYEKD-SNVBAGLBSA-N 1 2 292.295 2.525 20 5 CFBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])on1 ZINC000595299322 349595909 /nfs/dbraw/zinc/59/59/09/349595909.db2.gz XNHCGKOWGSYEKD-SNVBAGLBSA-N 1 2 292.295 2.525 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000595396700 349616181 /nfs/dbraw/zinc/61/61/81/349616181.db2.gz DWAIUVYEXWXRRA-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000595396700 349616185 /nfs/dbraw/zinc/61/61/85/349616185.db2.gz DWAIUVYEXWXRRA-LBPRGKRZSA-N 1 2 288.307 2.623 20 5 CFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618399 349677999 /nfs/dbraw/zinc/67/79/99/349677999.db2.gz OYKYVSKCNSTLEW-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595618399 349678000 /nfs/dbraw/zinc/67/80/00/349678000.db2.gz OYKYVSKCNSTLEW-HNNXBMFYSA-N 1 2 276.336 2.596 20 5 CFBDLO COc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1[N+](=O)[O-] ZINC000595666796 349693330 /nfs/dbraw/zinc/69/33/30/349693330.db2.gz CRIOEGABQZRYHT-VIFPVBQESA-N 1 2 293.348 2.911 20 5 CFBDLO Cc1c(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000595716107 349715004 /nfs/dbraw/zinc/71/50/04/349715004.db2.gz VJYZOXCNIJHQDK-GHMZBOCLSA-N 1 2 276.336 2.560 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnn(C)c1 ZINC000072557346 346928631 /nfs/dbraw/zinc/92/86/31/346928631.db2.gz LEANGNPJLOYFTJ-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnn(C)c1 ZINC000072557346 346928634 /nfs/dbraw/zinc/92/86/34/346928634.db2.gz LEANGNPJLOYFTJ-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134046636 136391002 /nfs/dbraw/zinc/39/10/02/136391002.db2.gz BIBIAUQFFCGOSD-DOMZBBRYSA-N 1 2 286.335 2.879 20 5 CFBDLO CN(Cc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596304707 349857142 /nfs/dbraw/zinc/85/71/42/349857142.db2.gz CGNXHWLYCJDPCL-UHFFFAOYSA-N 1 2 298.249 2.556 20 5 CFBDLO CN(Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596304707 349857146 /nfs/dbraw/zinc/85/71/46/349857146.db2.gz CGNXHWLYCJDPCL-UHFFFAOYSA-N 1 2 298.249 2.556 20 5 CFBDLO COCCC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596367026 349879252 /nfs/dbraw/zinc/87/92/52/349879252.db2.gz UWJFRNYRXWHXKT-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007780842 346218822 /nfs/dbraw/zinc/21/88/22/346218822.db2.gz MWCCABZVMVYPGQ-UHFFFAOYSA-N 1 2 297.742 2.673 20 5 CFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000016445426 346238441 /nfs/dbraw/zinc/23/84/41/346238441.db2.gz XJEZYJPLGMSQOX-SECBINFHSA-N 1 2 297.742 2.671 20 5 CFBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000042739680 346370605 /nfs/dbraw/zinc/37/06/05/346370605.db2.gz CJXRVQQOQOUMLJ-UHFFFAOYSA-N 1 2 289.251 2.683 20 5 CFBDLO Cc1noc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)c1[N+](=O)[O-] ZINC000596617348 349957471 /nfs/dbraw/zinc/95/74/71/349957471.db2.gz HSPZRKFHQDHMOC-GFCCVEGCSA-N 1 2 297.355 2.528 20 5 CFBDLO Cc1noc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)c1[N+](=O)[O-] ZINC000596617348 349957473 /nfs/dbraw/zinc/95/74/73/349957473.db2.gz HSPZRKFHQDHMOC-GFCCVEGCSA-N 1 2 297.355 2.528 20 5 CFBDLO Cc1cc(N2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389401 346567892 /nfs/dbraw/zinc/56/78/92/346567892.db2.gz SVPLMECVNMMYSR-UHFFFAOYSA-N 1 2 284.319 2.960 20 5 CFBDLO Cc1cnc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000091628304 347594058 /nfs/dbraw/zinc/59/40/58/347594058.db2.gz RLDWQIHYLLEVFR-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498126 347677358 /nfs/dbraw/zinc/67/73/58/347677358.db2.gz GVEBQYCVMFOHTI-MNOVXSKESA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093498126 347677361 /nfs/dbraw/zinc/67/73/61/347677361.db2.gz GVEBQYCVMFOHTI-MNOVXSKESA-N 1 2 264.325 2.921 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000093442907 347673946 /nfs/dbraw/zinc/67/39/46/347673946.db2.gz IYDRDEGXCBITJA-QWRGUYRKSA-N 1 2 262.309 2.532 20 5 CFBDLO COc1cc[nH+]cc1CNc1ccsc1[N+](=O)[O-] ZINC000590061084 348871787 /nfs/dbraw/zinc/87/17/87/348871787.db2.gz IDZOKGFBAATXFO-UHFFFAOYSA-N 1 2 265.294 2.672 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567513 348909066 /nfs/dbraw/zinc/90/90/66/348909066.db2.gz LQMFOJIZZMIIHC-UHFFFAOYSA-N 1 2 278.699 2.534 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCC1CC[NH+](CC(F)F)CC1 ZINC000590567523 348909391 /nfs/dbraw/zinc/90/93/91/348909391.db2.gz LYYZMSSHBRKFMX-UHFFFAOYSA-N 1 2 299.321 2.984 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C(F)F)C1 ZINC000590968794 348974798 /nfs/dbraw/zinc/97/47/98/348974798.db2.gz OYTDYXMWNWRXHN-UHFFFAOYSA-N 1 2 286.278 2.690 20 5 CFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000591136815 348992093 /nfs/dbraw/zinc/99/20/93/348992093.db2.gz OXPULJYSHLAMKJ-GHMZBOCLSA-N 1 2 287.319 2.757 20 5 CFBDLO CC(C)(CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591150706 348993393 /nfs/dbraw/zinc/99/33/93/348993393.db2.gz QDXUFZZEUVIIIP-UHFFFAOYSA-N 1 2 275.308 2.573 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCC4(CC4)C3)c2c1 ZINC000591153045 348993751 /nfs/dbraw/zinc/99/37/51/348993751.db2.gz QHRDHSWXTBTDMX-UHFFFAOYSA-N 1 2 299.330 2.760 20 5 CFBDLO Nc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000592431263 349118552 /nfs/dbraw/zinc/11/85/52/349118552.db2.gz MOIPLIGGDVHPOK-UHFFFAOYSA-N 1 2 298.346 2.567 20 5 CFBDLO Nc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000592431263 349118554 /nfs/dbraw/zinc/11/85/54/349118554.db2.gz MOIPLIGGDVHPOK-UHFFFAOYSA-N 1 2 298.346 2.567 20 5 CFBDLO CC(C)O[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593054599 349196012 /nfs/dbraw/zinc/19/60/12/349196012.db2.gz WSYWBNSQXKJYTL-AWEZNQCLSA-N 1 2 294.351 2.690 20 5 CFBDLO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593054599 349196015 /nfs/dbraw/zinc/19/60/15/349196015.db2.gz WSYWBNSQXKJYTL-AWEZNQCLSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063291 349199325 /nfs/dbraw/zinc/19/93/25/349199325.db2.gz LFSXCKXKYGSGLX-SMDDNHRTSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)CO1 ZINC000593063291 349199329 /nfs/dbraw/zinc/19/93/29/349199329.db2.gz LFSXCKXKYGSGLX-SMDDNHRTSA-N 1 2 278.352 2.903 20 5 CFBDLO O=[N+]([O-])c1cccc(-c2cnc(CCn3cc[nH+]c3)o2)c1 ZINC000104664352 186012603 /nfs/dbraw/zinc/01/26/03/186012603.db2.gz UZZNLSQFBNUGIH-UHFFFAOYSA-N 1 2 284.275 2.689 20 5 CFBDLO COCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599014012 350359003 /nfs/dbraw/zinc/35/90/03/350359003.db2.gz NKRAWEYSYRLEFJ-UHFFFAOYSA-N 1 2 261.281 2.591 20 5 CFBDLO CC[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599037643 350362823 /nfs/dbraw/zinc/36/28/23/350362823.db2.gz JSOVQCCNRYOVTR-CQSZACIVSA-N 1 2 275.308 2.716 20 5 CFBDLO CN(C[C@H]1CCOC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599053634 350366645 /nfs/dbraw/zinc/36/66/45/350366645.db2.gz FQDJQEIOUAIUDZ-LLVKDONJSA-N 1 2 287.319 2.616 20 5 CFBDLO O=[N+]([O-])c1c(NCCOCC(F)F)ccc2c[nH+]ccc21 ZINC000599068444 350369985 /nfs/dbraw/zinc/36/99/85/350369985.db2.gz LIERUPAYMIDBOB-UHFFFAOYSA-N 1 2 297.261 2.837 20 5 CFBDLO CC[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])OC ZINC000599080857 350372724 /nfs/dbraw/zinc/37/27/24/350372724.db2.gz KVURMIWEPICTPM-NSHDSACASA-N 1 2 275.308 2.980 20 5 CFBDLO CCC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])COC1 ZINC000599089048 350373980 /nfs/dbraw/zinc/37/39/80/350373980.db2.gz WRJXDGWTCYXLSV-UHFFFAOYSA-N 1 2 287.319 2.982 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1C ZINC000599087096 350374188 /nfs/dbraw/zinc/37/41/88/350374188.db2.gz TWFINIUWLZVJKB-NXEZZACHSA-N 1 2 257.293 2.988 20 5 CFBDLO O=[N+]([O-])c1c(N[C@@H]2C[C@@H](O)C23CCC3)ccc2c[nH+]ccc21 ZINC000599105922 350376338 /nfs/dbraw/zinc/37/63/38/350376338.db2.gz GNGHJXZBYAUIQZ-ZIAGYGMSSA-N 1 2 299.330 2.858 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)n3)C2)c1 ZINC000599102714 350376723 /nfs/dbraw/zinc/37/67/23/350376723.db2.gz SSDPORPAFKYSPR-CYBMUJFWSA-N 1 2 298.346 2.996 20 5 CFBDLO Cc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000600110709 350511121 /nfs/dbraw/zinc/51/11/21/350511121.db2.gz DDWQDWLVJFPSRL-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO Cc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000600110709 350511123 /nfs/dbraw/zinc/51/11/23/350511123.db2.gz DDWQDWLVJFPSRL-UHFFFAOYSA-N 1 2 261.281 2.523 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000601126629 350676001 /nfs/dbraw/zinc/67/60/01/350676001.db2.gz WPJGNMSRJFNZRG-UHFFFAOYSA-N 1 2 278.337 2.763 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000601126629 350676002 /nfs/dbraw/zinc/67/60/02/350676002.db2.gz WPJGNMSRJFNZRG-UHFFFAOYSA-N 1 2 278.337 2.763 20 5 CFBDLO COCC1(C2CC2)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000602734076 351006728 /nfs/dbraw/zinc/00/67/28/351006728.db2.gz XWFRYCJCLNPUEK-UHFFFAOYSA-N 1 2 282.365 2.515 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882280 351056820 /nfs/dbraw/zinc/05/68/20/351056820.db2.gz UIQALAWDHILTNQ-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602882280 351056823 /nfs/dbraw/zinc/05/68/23/351056823.db2.gz UIQALAWDHILTNQ-ZDUSSCGKSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)F ZINC000603427124 351162539 /nfs/dbraw/zinc/16/25/39/351162539.db2.gz BFGGXQLJHKYSOV-XVKPBYJWSA-N 1 2 256.252 2.825 20 5 CFBDLO Cc1c(NC(=O)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000604453341 351213285 /nfs/dbraw/zinc/21/32/85/351213285.db2.gz RRSOUGNGFSSSJN-UHFFFAOYSA-N 1 2 288.307 2.519 20 5 CFBDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])c1 ZINC000609623182 351512036 /nfs/dbraw/zinc/51/20/36/351512036.db2.gz RQYILBUIGWHELJ-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132917 351485546 /nfs/dbraw/zinc/48/55/46/351485546.db2.gz UMGKNZJRXDYUCP-GFCCVEGCSA-N 1 2 290.298 2.772 20 5 CFBDLO Cc1c(Oc2cc(-n3cc[nH+]c3)ncn2)cccc1[N+](=O)[O-] ZINC000610129632 351534778 /nfs/dbraw/zinc/53/47/78/351534778.db2.gz VBYPDOPBFPQPDM-UHFFFAOYSA-N 1 2 297.274 2.671 20 5 CFBDLO Cn1c[nH+]c2cc(Nc3cccnc3[N+](=O)[O-])ccc21 ZINC000610340229 351555237 /nfs/dbraw/zinc/55/52/37/351555237.db2.gz FEWGLOXUHUXAIP-UHFFFAOYSA-N 1 2 269.264 2.620 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(F)c1 ZINC000611180697 351649805 /nfs/dbraw/zinc/64/98/05/351649805.db2.gz POEUZIYNBYJBCW-UHFFFAOYSA-N 1 2 286.253 2.965 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(C2)CC(F)(F)C3)cs1 ZINC000611180840 351650046 /nfs/dbraw/zinc/65/00/46/351650046.db2.gz XGUPEZJMWBXXRO-UHFFFAOYSA-N 1 2 274.292 2.887 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCCCNc1cccc[nH+]1 ZINC000611411476 351685276 /nfs/dbraw/zinc/68/52/76/351685276.db2.gz FDMDGIPTXSQLRC-UHFFFAOYSA-N 1 2 278.337 2.965 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611412380 351685869 /nfs/dbraw/zinc/68/58/69/351685869.db2.gz SOTNSBNZXLMDHR-JTQLQIEISA-N 1 2 278.337 2.694 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611412381 351686157 /nfs/dbraw/zinc/68/61/57/351686157.db2.gz SOTNSBNZXLMDHR-SNVBAGLBSA-N 1 2 278.337 2.694 20 5 CFBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000611431479 351689328 /nfs/dbraw/zinc/68/93/28/351689328.db2.gz RJPALCANXYNVQX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc1 ZINC000611431479 351689330 /nfs/dbraw/zinc/68/93/30/351689330.db2.gz RJPALCANXYNVQX-UHFFFAOYSA-N 1 2 299.330 2.557 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2c[nH]nc2C1 ZINC000611516724 351702518 /nfs/dbraw/zinc/70/25/18/351702518.db2.gz GZHXIMWORPKIBP-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2c[nH]nc2C1 ZINC000611516724 351702521 /nfs/dbraw/zinc/70/25/21/351702521.db2.gz GZHXIMWORPKIBP-NSHDSACASA-N 1 2 286.335 2.746 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516991 351702846 /nfs/dbraw/zinc/70/28/46/351702846.db2.gz RFZQIJWLPMZKTE-ZYHUDNBSSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516991 351702851 /nfs/dbraw/zinc/70/28/51/351702851.db2.gz RFZQIJWLPMZKTE-ZYHUDNBSSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1 ZINC000612005001 351760772 /nfs/dbraw/zinc/76/07/72/351760772.db2.gz DXZSMDAFAQTJLU-UHFFFAOYSA-N 1 2 293.710 2.686 20 5 CFBDLO CC(C)([NH2+]Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000292136781 198177112 /nfs/dbraw/zinc/17/71/12/198177112.db2.gz LXHOQNNEVRGJAR-UHFFFAOYSA-N 1 2 261.281 2.608 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cncnc2)C2CC2)c1 ZINC000154275641 188133813 /nfs/dbraw/zinc/13/38/13/188133813.db2.gz XFDODZYESHZLSG-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cncnc2)C2CC2)c1 ZINC000154275641 188133814 /nfs/dbraw/zinc/13/38/14/188133814.db2.gz XFDODZYESHZLSG-UHFFFAOYSA-N 1 2 284.319 2.549 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157669319 188331595 /nfs/dbraw/zinc/33/15/95/188331595.db2.gz WUIKGCLUUJJYSJ-CYBMUJFWSA-N 1 2 298.346 2.989 20 5 CFBDLO CC[C@@H]([NH2+]Cc1nonc1C)c1cccc([N+](=O)[O-])c1 ZINC000271791190 191330364 /nfs/dbraw/zinc/33/03/64/191330364.db2.gz NCIPPWJLTZWTTM-GFCCVEGCSA-N 1 2 276.296 2.527 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1COC ZINC000294920426 199250080 /nfs/dbraw/zinc/25/00/80/199250080.db2.gz GOVVQXICPRXEJS-UHFFFAOYSA-N 1 2 290.323 2.570 20 5 CFBDLO CCCc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180392348 189252857 /nfs/dbraw/zinc/25/28/57/189252857.db2.gz SLVFDRLIKXEZMH-JTQLQIEISA-N 1 2 290.323 2.781 20 5 CFBDLO Cc1nc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301644208 201111329 /nfs/dbraw/zinc/11/13/29/201111329.db2.gz NCNLBMKTPWUGFO-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301990689 201290865 /nfs/dbraw/zinc/29/08/65/201290865.db2.gz FSZKNFSAPPBLBY-LLVKDONJSA-N 1 2 291.332 2.709 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000302178406 201383394 /nfs/dbraw/zinc/38/33/94/201383394.db2.gz YCQYEEAYGWOLQX-UHFFFAOYSA-N 1 2 298.249 2.505 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000330448089 296135157 /nfs/dbraw/zinc/13/51/57/296135157.db2.gz GTTPYBZRGNWJGH-SNVBAGLBSA-N 1 2 264.325 2.969 20 5 CFBDLO CCOC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459612026 245241848 /nfs/dbraw/zinc/24/18/48/245241848.db2.gz TZFHHQKHJHIPDS-GHXNOFRVSA-N 1 2 276.336 2.719 20 5 CFBDLO CCOC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459612027 245240913 /nfs/dbraw/zinc/24/09/13/245240913.db2.gz TZFHHQKHJHIPDS-KPKJPENVSA-N 1 2 276.336 2.719 20 5 CFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccsc3)C2)cc1 ZINC000459616993 245242530 /nfs/dbraw/zinc/24/25/30/245242530.db2.gz AWOODZYIKSBZEX-UHFFFAOYSA-N 1 2 290.344 2.920 20 5 CFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)n1 ZINC000459743652 245299411 /nfs/dbraw/zinc/29/94/11/245299411.db2.gz HHGKJQSTNRSVOW-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000017820980 372136448 /nfs/dbraw/zinc/13/64/48/372136448.db2.gz MRRYVSBEBWYOGV-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO CC[C@H]([NH2+][C@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000037017021 372632919 /nfs/dbraw/zinc/63/29/19/372632919.db2.gz JYWLFRGRELZGIS-MFKMUULPSA-N 1 2 289.339 2.525 20 5 CFBDLO COc1ccc(C[NH2+]Cc2csc(C)n2)cc1[N+](=O)[O-] ZINC000041011059 372802496 /nfs/dbraw/zinc/80/24/96/372802496.db2.gz FSQUABOTTPXGGC-UHFFFAOYSA-N 1 2 293.348 2.658 20 5 CFBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000041306078 372831636 /nfs/dbraw/zinc/83/16/36/372831636.db2.gz NLEMFZUTISXETA-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO CCC[N@H+](CC(=O)OCC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947320 373332428 /nfs/dbraw/zinc/33/24/28/373332428.db2.gz CUZHJGIPDDGDLU-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO CCC[N@@H+](CC(=O)OCC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947320 373332436 /nfs/dbraw/zinc/33/24/36/373332436.db2.gz CUZHJGIPDDGDLU-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000051921961 373417548 /nfs/dbraw/zinc/41/75/48/373417548.db2.gz ATZWGOIXRZZTRI-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO Cc1c(C[N@H+](C)Cc2cscn2)cccc1[N+](=O)[O-] ZINC000063591859 373811557 /nfs/dbraw/zinc/81/15/57/373811557.db2.gz NCJBVMZCFGJBSV-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1c(C[N@@H+](C)Cc2cscn2)cccc1[N+](=O)[O-] ZINC000063591859 373811562 /nfs/dbraw/zinc/81/15/62/373811562.db2.gz NCJBVMZCFGJBSV-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094775820 375379858 /nfs/dbraw/zinc/37/98/58/375379858.db2.gz PFNHFUADVWNTOA-UHFFFAOYSA-N 1 2 298.314 2.507 20 5 CFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094775820 375379862 /nfs/dbraw/zinc/37/98/62/375379862.db2.gz PFNHFUADVWNTOA-UHFFFAOYSA-N 1 2 298.314 2.507 20 5 CFBDLO C[C@@H]([NH2+]Cc1cscn1)c1ccccc1[N+](=O)[O-] ZINC000111625105 375857675 /nfs/dbraw/zinc/85/76/75/375857675.db2.gz RQZGIQBTNKBXSL-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO Cc1ccnc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000115515567 376135564 /nfs/dbraw/zinc/13/55/64/376135564.db2.gz YQKHYKCYBOLUCJ-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350390721 296243503 /nfs/dbraw/zinc/24/35/03/296243503.db2.gz KZEQUMSYVLXCKK-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350390721 296243504 /nfs/dbraw/zinc/24/35/04/296243504.db2.gz KZEQUMSYVLXCKK-NSHDSACASA-N 1 2 287.319 2.888 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000125399833 377152596 /nfs/dbraw/zinc/15/25/96/377152596.db2.gz YBMJKZXMHVBWLF-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000125538432 377167678 /nfs/dbraw/zinc/16/76/78/377167678.db2.gz YZMKXQDLAQWYAJ-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000125538432 377167688 /nfs/dbraw/zinc/16/76/88/377167688.db2.gz YZMKXQDLAQWYAJ-CYBMUJFWSA-N 1 2 264.325 2.514 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131251138 377682160 /nfs/dbraw/zinc/68/21/60/377682160.db2.gz JAGRLZILTBQITN-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000131251138 377682171 /nfs/dbraw/zinc/68/21/71/377682171.db2.gz JAGRLZILTBQITN-CQSZACIVSA-N 1 2 264.325 2.596 20 5 CFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000132309481 377824294 /nfs/dbraw/zinc/82/42/94/377824294.db2.gz RIKCXGKVBFVCJR-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000132309481 377824302 /nfs/dbraw/zinc/82/43/02/377824302.db2.gz RIKCXGKVBFVCJR-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000133770930 377955388 /nfs/dbraw/zinc/95/53/88/377955388.db2.gz VXFNDLCEXIVMRE-CQSZACIVSA-N 1 2 299.330 2.956 20 5 CFBDLO CCOc1cccc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134903406 378060987 /nfs/dbraw/zinc/06/09/87/378060987.db2.gz BZZDYGYKMHXTEC-UHFFFAOYSA-N 1 2 290.323 2.692 20 5 CFBDLO CC[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000139773638 378237120 /nfs/dbraw/zinc/23/71/20/378237120.db2.gz WSPKQTAKHOMSCY-VIFPVBQESA-N 1 2 261.285 2.585 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000153890459 378520672 /nfs/dbraw/zinc/52/06/72/378520672.db2.gz OTVHEALQRBOJEZ-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000153890459 378520680 /nfs/dbraw/zinc/52/06/80/378520680.db2.gz OTVHEALQRBOJEZ-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000330446694 378557482 /nfs/dbraw/zinc/55/74/82/378557482.db2.gz FLRJQMMUTIXLGC-CQSZACIVSA-N 1 2 294.351 2.595 20 5 CFBDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448049 378559835 /nfs/dbraw/zinc/55/98/35/378559835.db2.gz GKYCLYHREPTSJP-AWEZNQCLSA-N 1 2 293.323 2.580 20 5 CFBDLO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330448049 378559838 /nfs/dbraw/zinc/55/98/38/378559838.db2.gz GKYCLYHREPTSJP-AWEZNQCLSA-N 1 2 293.323 2.580 20 5 CFBDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332254142 378739861 /nfs/dbraw/zinc/73/98/61/378739861.db2.gz YYYDDPZDSXCNJX-HNNXBMFYSA-N 1 2 294.351 2.691 20 5 CFBDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000332254142 378739864 /nfs/dbraw/zinc/73/98/64/378739864.db2.gz YYYDDPZDSXCNJX-HNNXBMFYSA-N 1 2 294.351 2.691 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cncnc2C1 ZINC000332499101 378770676 /nfs/dbraw/zinc/77/06/76/378770676.db2.gz FVIUYUGELJEXKQ-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cncnc2C1 ZINC000332499101 378770682 /nfs/dbraw/zinc/77/06/82/378770682.db2.gz FVIUYUGELJEXKQ-NSHDSACASA-N 1 2 284.319 2.504 20 5 CFBDLO COc1cc[nH+]c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000264466022 383743710 /nfs/dbraw/zinc/74/37/10/383743710.db2.gz WBBPBFNDMDGGHU-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccnc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000264466022 383743716 /nfs/dbraw/zinc/74/37/16/383743716.db2.gz WBBPBFNDMDGGHU-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO COc1ccnc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000264466022 383743721 /nfs/dbraw/zinc/74/37/21/383743721.db2.gz WBBPBFNDMDGGHU-UHFFFAOYSA-N 1 2 287.319 2.630 20 5 CFBDLO CC[C@H]([NH2+]Cc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000182077058 380984725 /nfs/dbraw/zinc/98/47/25/380984725.db2.gz ASEADEHPWYUEIF-ZDUSSCGKSA-N 1 2 261.281 2.824 20 5 CFBDLO COc1cc[nH+]cc1COc1c(F)cccc1[N+](=O)[O-] ZINC000341336387 380944587 /nfs/dbraw/zinc/94/45/87/380944587.db2.gz HNYWJMIAKGLMDZ-UHFFFAOYSA-N 1 2 278.239 2.717 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347379376 381110932 /nfs/dbraw/zinc/11/09/32/381110932.db2.gz MUDJXEPGOYNSKB-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000347379376 381110939 /nfs/dbraw/zinc/11/09/39/381110939.db2.gz MUDJXEPGOYNSKB-CYBMUJFWSA-N 1 2 268.288 2.537 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000296115136 381261399 /nfs/dbraw/zinc/26/13/99/381261399.db2.gz SPRPIEMWNRTMSE-NSHDSACASA-N 1 2 258.318 2.980 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000296115136 381261404 /nfs/dbraw/zinc/26/14/04/381261404.db2.gz SPRPIEMWNRTMSE-NSHDSACASA-N 1 2 258.318 2.980 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2COC2)ccc1Cl ZINC000296074476 381243537 /nfs/dbraw/zinc/24/35/37/381243537.db2.gz QBDCDYIJFIMIKC-UHFFFAOYSA-N 1 2 282.727 2.611 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+](C2CC2)C2COC2)ccc1Cl ZINC000296074476 381243543 /nfs/dbraw/zinc/24/35/43/381243543.db2.gz QBDCDYIJFIMIKC-UHFFFAOYSA-N 1 2 282.727 2.611 20 5 CFBDLO C[C@@H]1COCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413195026 381537528 /nfs/dbraw/zinc/53/75/28/381537528.db2.gz BZPDRZLCTFXKLH-NSHDSACASA-N 1 2 287.319 2.616 20 5 CFBDLO C[C@H](c1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355784093 381804368 /nfs/dbraw/zinc/80/43/68/381804368.db2.gz IMJBDVQDLRQNMI-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355784093 381804372 /nfs/dbraw/zinc/80/43/72/381804372.db2.gz IMJBDVQDLRQNMI-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355791606 381805498 /nfs/dbraw/zinc/80/54/98/381805498.db2.gz JBXWGLUISJMDKZ-VIFPVBQESA-N 1 2 280.353 2.583 20 5 CFBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355791606 381805506 /nfs/dbraw/zinc/80/55/06/381805506.db2.gz JBXWGLUISJMDKZ-VIFPVBQESA-N 1 2 280.353 2.583 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000349237092 381857109 /nfs/dbraw/zinc/85/71/09/381857109.db2.gz IDXATWAEKJGERJ-ZJUUUORDSA-N 1 2 261.281 2.995 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccsc2)c(F)c1 ZINC000349563283 381959923 /nfs/dbraw/zinc/95/99/23/381959923.db2.gz HSSKENYBGURRBW-ZDUSSCGKSA-N 1 2 296.323 2.619 20 5 CFBDLO CCc1noc(C)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000293054421 381969253 /nfs/dbraw/zinc/96/92/53/381969253.db2.gz UDEFMJHISBHTQE-UHFFFAOYSA-N 1 2 281.337 2.805 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293265273 382053897 /nfs/dbraw/zinc/05/38/97/382053897.db2.gz BOPWRDSJYPOHSS-DTWKUNHWSA-N 1 2 297.742 2.527 20 5 CFBDLO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293265273 382053905 /nfs/dbraw/zinc/05/39/05/382053905.db2.gz BOPWRDSJYPOHSS-DTWKUNHWSA-N 1 2 297.742 2.527 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000374781687 382055488 /nfs/dbraw/zinc/05/54/88/382055488.db2.gz OIHTVMOOGFXTJG-LBPRGKRZSA-N 1 2 276.271 2.799 20 5 CFBDLO Cc1ccc(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)c[nH+]1 ZINC000302429184 382249066 /nfs/dbraw/zinc/24/90/66/382249066.db2.gz KUERVNSCFMZDAU-UHFFFAOYSA-N 1 2 298.346 2.921 20 5 CFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cc(C)[nH+]c(C)c1 ZINC000420659263 382448260 /nfs/dbraw/zinc/44/82/60/382448260.db2.gz ZUCJIOLZRHWJAN-UHFFFAOYSA-N 1 2 289.339 2.744 20 5 CFBDLO C[C@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000378501245 382474183 /nfs/dbraw/zinc/47/41/83/382474183.db2.gz MUFSGNDDLGTTTG-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000378501245 382474186 /nfs/dbraw/zinc/47/41/86/382474186.db2.gz MUFSGNDDLGTTTG-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO COc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1[N+](=O)[O-] ZINC000389450630 382613913 /nfs/dbraw/zinc/61/39/13/382613913.db2.gz SGJPYHCTKRWMKI-MRVPVSSYSA-N 1 2 274.267 2.737 20 5 CFBDLO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000421557094 382578300 /nfs/dbraw/zinc/57/83/00/382578300.db2.gz KQTIQYLRDNYQPK-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO Cc1cccc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000218822569 382791066 /nfs/dbraw/zinc/79/10/66/382791066.db2.gz IVNHMCUBDNMXAP-UHFFFAOYSA-N 1 2 260.297 2.602 20 5 CFBDLO CC(C)OCCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339002654 383115682 /nfs/dbraw/zinc/11/56/82/383115682.db2.gz ASGZVWLAWBIODC-UHFFFAOYSA-N 1 2 282.340 2.547 20 5 CFBDLO CC(C)OCCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339002654 383115686 /nfs/dbraw/zinc/11/56/86/383115686.db2.gz ASGZVWLAWBIODC-UHFFFAOYSA-N 1 2 282.340 2.547 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCc1[nH+]cccc1C ZINC000572662808 383804661 /nfs/dbraw/zinc/80/46/61/383804661.db2.gz VUAYEULIGANPBB-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000266534452 384193997 /nfs/dbraw/zinc/19/39/97/384193997.db2.gz NOOLADZAPDLIQG-GRYCIOLGSA-N 1 2 264.325 2.765 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000266534452 384194000 /nfs/dbraw/zinc/19/40/00/384194000.db2.gz NOOLADZAPDLIQG-GRYCIOLGSA-N 1 2 264.325 2.765 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084261 384295125 /nfs/dbraw/zinc/29/51/25/384295125.db2.gz YTPDSVPAUFNZJX-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267084261 384295136 /nfs/dbraw/zinc/29/51/36/384295136.db2.gz YTPDSVPAUFNZJX-ZYHUDNBSSA-N 1 2 282.315 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccno2)C2CC2)cc1 ZINC000270704316 385199005 /nfs/dbraw/zinc/19/90/05/385199005.db2.gz AGGNIMJYMAOXLA-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccno2)C2CC2)cc1 ZINC000270704316 385199008 /nfs/dbraw/zinc/19/90/08/385199008.db2.gz AGGNIMJYMAOXLA-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO CC(C)[N@H+](Cc1ccn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271063505 385326085 /nfs/dbraw/zinc/32/60/85/385326085.db2.gz IBKXJMAZAWYTLN-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO CC(C)[N@@H+](Cc1ccn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271063505 385326088 /nfs/dbraw/zinc/32/60/88/385326088.db2.gz IBKXJMAZAWYTLN-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1F ZINC000283062466 385431861 /nfs/dbraw/zinc/43/18/61/385431861.db2.gz JPFVHYOZTGDGST-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1F ZINC000283062466 385431864 /nfs/dbraw/zinc/43/18/64/385431864.db2.gz JPFVHYOZTGDGST-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944910 386086291 /nfs/dbraw/zinc/08/62/91/386086291.db2.gz STEQEBCFGZFDFH-NWDGAFQWSA-N 1 2 294.351 2.603 20 5 CFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276944910 386086296 /nfs/dbraw/zinc/08/62/96/386086296.db2.gz STEQEBCFGZFDFH-NWDGAFQWSA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC000339081937 393816450 /nfs/dbraw/zinc/81/64/50/393816450.db2.gz OGFKCAKWKYYNAY-JTQLQIEISA-N 1 2 273.292 2.546 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430195628 393966126 /nfs/dbraw/zinc/96/61/26/393966126.db2.gz ORRCEMQRQHFZMM-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430195628 393966129 /nfs/dbraw/zinc/96/61/29/393966129.db2.gz ORRCEMQRQHFZMM-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)n1 ZINC000541006101 394662259 /nfs/dbraw/zinc/66/22/59/394662259.db2.gz XENYSEVOJIVWPW-UHFFFAOYSA-N 1 2 289.339 2.695 20 5 CFBDLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000548098205 394911510 /nfs/dbraw/zinc/91/15/10/394911510.db2.gz DDXXQQYVQHEGRG-IUCAKERBSA-N 1 2 297.742 2.669 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c(F)c1 ZINC000558866113 395078200 /nfs/dbraw/zinc/07/82/00/395078200.db2.gz PAPNVDWVPCEMRW-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)c(F)c1 ZINC000558866113 395078201 /nfs/dbraw/zinc/07/82/01/395078201.db2.gz PAPNVDWVPCEMRW-JTQLQIEISA-N 1 2 290.241 2.547 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000245513165 292102743 /nfs/dbraw/zinc/10/27/43/292102743.db2.gz CCCMEZDRNBPSRH-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000245513165 292102744 /nfs/dbraw/zinc/10/27/44/292102744.db2.gz CCCMEZDRNBPSRH-NEPJUHHUSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(Cc2noc(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356123689 155166855 /nfs/dbraw/zinc/16/68/55/155166855.db2.gz ICLZCKZKIVANPK-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO COc1ccc(C[NH+]2CC3(CCC3(F)F)C2)cc1[N+](=O)[O-] ZINC000356536140 155295247 /nfs/dbraw/zinc/29/52/47/155295247.db2.gz YGFACEXUWJAQST-UHFFFAOYSA-N 1 2 298.289 2.835 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000355794459 155089751 /nfs/dbraw/zinc/08/97/51/155089751.db2.gz ZLWGSQNRBGLWNW-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000355794459 155089752 /nfs/dbraw/zinc/08/97/52/155089752.db2.gz ZLWGSQNRBGLWNW-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cc1ccc([C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355803157 155092302 /nfs/dbraw/zinc/09/23/02/155092302.db2.gz QZJISNSNUVVJJE-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355803157 155092306 /nfs/dbraw/zinc/09/23/06/155092306.db2.gz QZJISNSNUVVJJE-LBPRGKRZSA-N 1 2 288.351 2.830 20 5 CFBDLO Cc1c(C[NH+]2[C@H](C)COC[C@H]2C)cccc1[N+](=O)[O-] ZINC000077367942 177258453 /nfs/dbraw/zinc/25/84/53/177258453.db2.gz MJCKFFDVFFLNPT-GHMZBOCLSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[NH+]2[C@@H](C)COC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000077367941 177258729 /nfs/dbraw/zinc/25/87/29/177258729.db2.gz MJCKFFDVFFLNPT-QWRGUYRKSA-N 1 2 264.325 2.512 20 5 CFBDLO Cn1c[nH+]c(CCNc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000313487889 260298521 /nfs/dbraw/zinc/29/85/21/260298521.db2.gz ZVICKBJQTXCLBR-UHFFFAOYSA-N 1 2 280.715 2.636 20 5 CFBDLO Cc1cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450828091 274719601 /nfs/dbraw/zinc/71/96/01/274719601.db2.gz JRDKKSZTQANHAB-NXEZZACHSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@@H]1COCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413258744 278855202 /nfs/dbraw/zinc/85/52/02/278855202.db2.gz FRHBUXGMQIAYFM-QMTHXVAHSA-N 1 2 287.319 2.980 20 5 CFBDLO CC[C@@H](CSC)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062390 280155775 /nfs/dbraw/zinc/15/57/75/280155775.db2.gz DRRKQBDLNKBWSV-NSHDSACASA-N 1 2 284.381 2.874 20 5 CFBDLO CC[C@@H](CSC)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339062390 280155776 /nfs/dbraw/zinc/15/57/76/280155776.db2.gz DRRKQBDLNKBWSV-NSHDSACASA-N 1 2 284.381 2.874 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000364033284 280366904 /nfs/dbraw/zinc/36/69/04/280366904.db2.gz LFEZHBRZPAMZAG-LBPRGKRZSA-N 1 2 258.281 2.659 20 5 CFBDLO Cc1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000135508249 280773786 /nfs/dbraw/zinc/77/37/86/280773786.db2.gz WZAXGDRKICAKTF-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO CCc1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000224009375 280933792 /nfs/dbraw/zinc/93/37/92/280933792.db2.gz CROMUAFNOMFTMD-SNVBAGLBSA-N 1 2 275.308 2.996 20 5 CFBDLO Cc1[nH]c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000566496142 290394853 /nfs/dbraw/zinc/39/48/53/290394853.db2.gz BUJKYLDSDDGTKO-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO Cc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000566496142 290394855 /nfs/dbraw/zinc/39/48/55/290394855.db2.gz BUJKYLDSDDGTKO-NSHDSACASA-N 1 2 274.324 2.786 20 5 CFBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000581991258 325166719 /nfs/dbraw/zinc/16/67/19/325166719.db2.gz JQQOPKABDVTMIY-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000581991258 325166723 /nfs/dbraw/zinc/16/67/23/325166723.db2.gz JQQOPKABDVTMIY-UHFFFAOYSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000582159002 325181234 /nfs/dbraw/zinc/18/12/34/325181234.db2.gz XZKMHHZTMJHCFS-GFCCVEGCSA-N 1 2 299.330 2.771 20 5 CFBDLO Cc1ccc(CCNc2nc(C)cc(C)c2[N+](=O)[O-])[nH+]c1 ZINC000413348472 533809403 /nfs/dbraw/zinc/80/94/03/533809403.db2.gz DFTPYJOWUKVIOL-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000365046288 523493242 /nfs/dbraw/zinc/49/32/42/523493242.db2.gz QGJRYVRQZSGCES-UHFFFAOYSA-N 1 2 286.335 2.764 20 5 CFBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000049236103 525300715 /nfs/dbraw/zinc/30/07/15/525300715.db2.gz XNYWIMLBXGPFIN-LLVKDONJSA-N 1 2 260.297 2.600 20 5 CFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC000181625435 525485995 /nfs/dbraw/zinc/48/59/95/525485995.db2.gz SLQOBKWLLFIHKO-JTQLQIEISA-N 1 2 298.302 2.982 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000080268422 525539966 /nfs/dbraw/zinc/53/99/66/525539966.db2.gz VKTAKQVPQHZFIO-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@H](c1ccccn1)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159620116 526125855 /nfs/dbraw/zinc/12/58/55/526125855.db2.gz LEVIHVAAJGFFRM-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO C[C@H](c1ccccn1)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000159620116 526125867 /nfs/dbraw/zinc/12/58/67/526125867.db2.gz LEVIHVAAJGFFRM-LLVKDONJSA-N 1 2 284.319 2.504 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193848224 527348992 /nfs/dbraw/zinc/34/89/92/527348992.db2.gz PMYJMYQVUKHTGZ-CYBMUJFWSA-N 1 2 286.335 2.698 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193848224 527348996 /nfs/dbraw/zinc/34/89/96/527348996.db2.gz PMYJMYQVUKHTGZ-CYBMUJFWSA-N 1 2 286.335 2.698 20 5 CFBDLO Cn1cc[nH+]c1CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000051922498 527437414 /nfs/dbraw/zinc/43/74/14/527437414.db2.gz IDDNEZHPCDKKSO-UHFFFAOYSA-N 1 2 266.688 2.594 20 5 CFBDLO CCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413058844 528780465 /nfs/dbraw/zinc/78/04/65/528780465.db2.gz CHHXISWZWDSFFD-UHFFFAOYSA-N 1 2 261.281 2.591 20 5 CFBDLO CCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000414483143 529170800 /nfs/dbraw/zinc/17/08/00/529170800.db2.gz OAFUAPLAMLAXAL-UHFFFAOYSA-N 1 2 294.742 2.754 20 5 CFBDLO COC(=O)[C@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000191646396 536627006 /nfs/dbraw/zinc/62/70/06/536627006.db2.gz XDMMGBIPDRRCIJ-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO COC(=O)[C@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000191646396 536627011 /nfs/dbraw/zinc/62/70/11/536627011.db2.gz XDMMGBIPDRRCIJ-NSHDSACASA-N 1 2 292.335 2.511 20 5 CFBDLO CC(C)[N@@H+](Cc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746027116 574131600 /nfs/dbraw/zinc/13/16/00/574131600.db2.gz WBLYSXLGPBVXAT-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CC(C)[N@H+](Cc1ccc(F)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746027116 574131601 /nfs/dbraw/zinc/13/16/01/574131601.db2.gz WBLYSXLGPBVXAT-UHFFFAOYSA-N 1 2 292.314 2.799 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000735833004 574337511 /nfs/dbraw/zinc/33/75/11/574337511.db2.gz VFRMGTWVPPYARY-UHFFFAOYSA-N 1 2 289.320 2.564 20 5 CFBDLO COc1cc([N+](=O)[O-])cnc1NCc1c[nH+]c(C)cc1C ZINC000894117284 618350891 /nfs/dbraw/zinc/35/08/91/618350891.db2.gz COMPLOFZQJWRCN-UHFFFAOYSA-N 1 2 288.307 2.622 20 5 CFBDLO Cc1[nH]c([C@@H]2CCCN2c2ncccc2[N+](=O)[O-])[nH+]c1C ZINC000895193863 618459435 /nfs/dbraw/zinc/45/94/35/618459435.db2.gz VNSUUBXPZIDIFS-NSHDSACASA-N 1 2 287.323 2.671 20 5 CFBDLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000893280416 618929400 /nfs/dbraw/zinc/92/94/00/618929400.db2.gz XRZXQAVUFTUXCK-NSHDSACASA-N 1 2 286.335 2.977 20 5 CFBDLO Cc1ncoc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000894847168 619481656 /nfs/dbraw/zinc/48/16/56/619481656.db2.gz BYQOKLBHQRTKQM-UHFFFAOYSA-N 1 2 275.308 2.916 20 5 CFBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(C)c1)C2 ZINC000896660936 619782889 /nfs/dbraw/zinc/78/28/89/619782889.db2.gz VRKSQECSTKHEBO-UHFFFAOYSA-N 1 2 286.335 2.682 20 5 CFBDLO Cc1c(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000902718232 621154843 /nfs/dbraw/zinc/15/48/43/621154843.db2.gz BOVZJLGWILLMAT-ZDUSSCGKSA-N 1 2 292.335 2.681 20 5 CFBDLO Cc1c(OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000902718232 621154846 /nfs/dbraw/zinc/15/48/46/621154846.db2.gz BOVZJLGWILLMAT-ZDUSSCGKSA-N 1 2 292.335 2.681 20 5 CFBDLO Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000078468096 623051736 /nfs/dbraw/zinc/05/17/36/623051736.db2.gz SROHTHNVWRMBRH-UHFFFAOYSA-N 1 2 275.239 2.690 20 5 CFBDLO Cc1[nH]c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2[nH+]1 ZINC000822302428 623075582 /nfs/dbraw/zinc/07/55/82/623075582.db2.gz BMNIIJRMDBZLKT-UHFFFAOYSA-N 1 2 290.323 2.645 20 5 CFBDLO CC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171489370 623224608 /nfs/dbraw/zinc/22/46/08/623224608.db2.gz UJKCPHWFPRFMJY-JTQLQIEISA-N 1 2 289.291 2.736 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690633 623238869 /nfs/dbraw/zinc/23/88/69/623238869.db2.gz INTBFBDKRFESTM-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690633 623238871 /nfs/dbraw/zinc/23/88/71/623238871.db2.gz INTBFBDKRFESTM-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733646 624829133 /nfs/dbraw/zinc/82/91/33/624829133.db2.gz AZGPZJVLOIDRKV-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCC2)O1 ZINC000830733646 624829137 /nfs/dbraw/zinc/82/91/37/624829137.db2.gz AZGPZJVLOIDRKV-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO O=C(OCc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000770921884 627558767 /nfs/dbraw/zinc/55/87/67/627558767.db2.gz ILXPCQQRKZWUAC-UHFFFAOYSA-N 1 2 297.270 2.600 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000779889305 628416477 /nfs/dbraw/zinc/41/64/77/628416477.db2.gz PLMCTRRNNMVLRL-XVJNWHFHSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000779889305 628416479 /nfs/dbraw/zinc/41/64/79/628416479.db2.gz PLMCTRRNNMVLRL-XVJNWHFHSA-N 1 2 298.346 2.927 20 5 CFBDLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475065 629072593 /nfs/dbraw/zinc/07/25/93/629072593.db2.gz PHFPLQBBNWANSD-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO Cc1noc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475065 629072598 /nfs/dbraw/zinc/07/25/98/629072598.db2.gz PHFPLQBBNWANSD-UHFFFAOYSA-N 1 2 293.298 2.971 20 5 CFBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000791053053 629284124 /nfs/dbraw/zinc/28/41/24/629284124.db2.gz GYAMWNAAMZRDSQ-UHFFFAOYSA-N 1 2 263.124 2.702 20 5 CFBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000791053053 629284128 /nfs/dbraw/zinc/28/41/28/629284128.db2.gz GYAMWNAAMZRDSQ-UHFFFAOYSA-N 1 2 263.124 2.702 20 5 CFBDLO Cc1c[nH+]c(CCNc2nc(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000848755681 633336516 /nfs/dbraw/zinc/33/65/16/633336516.db2.gz AZEOFXLMGDJTSE-UHFFFAOYSA-N 1 2 286.335 2.965 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000850507027 634022868 /nfs/dbraw/zinc/02/28/68/634022868.db2.gz DCEACOOOMLYCTK-ZFWWWQNUSA-N 1 2 298.346 2.726 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000872038648 641571680 /nfs/dbraw/zinc/57/16/80/641571680.db2.gz NVZQQTPATPPUFS-UWVGGRQHSA-N 1 2 292.314 2.879 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000872038650 641572362 /nfs/dbraw/zinc/57/23/62/641572362.db2.gz NVZQQTPATPPUFS-ZJUUUORDSA-N 1 2 292.314 2.879 20 5 CFBDLO CCn1nccc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088130 641622539 /nfs/dbraw/zinc/62/25/39/641622539.db2.gz OATWXLRXAZPKAF-SNVBAGLBSA-N 1 2 292.314 2.801 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1F ZINC000878876732 644057811 /nfs/dbraw/zinc/05/78/11/644057811.db2.gz RYZVGFDOYHESJM-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1F ZINC000878876732 644057816 /nfs/dbraw/zinc/05/78/16/644057816.db2.gz RYZVGFDOYHESJM-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO CC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094773957 650962922 /nfs/dbraw/zinc/96/29/22/650962922.db2.gz KXGBCRGGKRQSPP-UHFFFAOYSA-N 1 2 280.299 2.535 20 5 CFBDLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926894029 648648297 /nfs/dbraw/zinc/64/82/97/648648297.db2.gz WLTNAJDXUVWPON-RKDXNWHRSA-N 1 2 276.296 2.698 20 5 CFBDLO C[NH+]1CC(Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225971427 775651444 /nfs/dbraw/zinc/65/14/44/775651444.db2.gz BEGVRRSBKQTULX-UHFFFAOYSA-N 1 2 284.315 2.955 20 5 CFBDLO Cc1conc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000708225609 781267353 /nfs/dbraw/zinc/26/73/53/781267353.db2.gz LYYDUOQWTWWYLZ-JTQLQIEISA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2F)c(C)c1 ZINC000594596167 349455518 /nfs/dbraw/zinc/45/55/18/349455518.db2.gz OJHDGDMMBYHUQX-UHFFFAOYSA-N 1 2 290.298 2.795 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000594981345 349538137 /nfs/dbraw/zinc/53/81/37/349538137.db2.gz XVXIUFPOQITTJU-LBPRGKRZSA-N 1 2 250.298 2.579 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000595010449 349547918 /nfs/dbraw/zinc/54/79/18/349547918.db2.gz HVZZDJKWYRPRRH-JTQLQIEISA-N 1 2 291.307 2.751 20 5 CFBDLO CC[N@H+](Cc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595290245 349591802 /nfs/dbraw/zinc/59/18/02/349591802.db2.gz XMVPIUACKRPRDH-UHFFFAOYSA-N 1 2 281.337 2.975 20 5 CFBDLO CC[N@@H+](Cc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595290245 349591806 /nfs/dbraw/zinc/59/18/06/349591806.db2.gz XMVPIUACKRPRDH-UHFFFAOYSA-N 1 2 281.337 2.975 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000595407590 349617873 /nfs/dbraw/zinc/61/78/73/349617873.db2.gz DSCSCHRPJXYOBN-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOCC12CCCC2 ZINC000595407590 349617876 /nfs/dbraw/zinc/61/78/76/349617876.db2.gz DSCSCHRPJXYOBN-UHFFFAOYSA-N 1 2 294.326 2.879 20 5 CFBDLO COc1ccccc1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595407903 349618112 /nfs/dbraw/zinc/61/81/12/349618112.db2.gz GWJKVSCYHOCVEN-SECBINFHSA-N 1 2 291.307 2.751 20 5 CFBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595410034 349618152 /nfs/dbraw/zinc/61/81/52/349618152.db2.gz JCFYHLZHTJVFTH-VIFPVBQESA-N 1 2 291.307 2.751 20 5 CFBDLO Cc1noc(C[N@@H+]2CCC=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000595485088 349639980 /nfs/dbraw/zinc/63/99/80/349639980.db2.gz RCRDODOPVVTAAK-UHFFFAOYSA-N 1 2 289.291 2.774 20 5 CFBDLO Cc1noc(C[N@H+]2CCC=C(c3ccco3)C2)c1[N+](=O)[O-] ZINC000595485088 349639985 /nfs/dbraw/zinc/63/99/85/349639985.db2.gz RCRDODOPVVTAAK-UHFFFAOYSA-N 1 2 289.291 2.774 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000595558651 349658943 /nfs/dbraw/zinc/65/89/43/349658943.db2.gz OHSGNFLUMOWZJS-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000595558651 349658944 /nfs/dbraw/zinc/65/89/44/349658944.db2.gz OHSGNFLUMOWZJS-ZWNOBZJWSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000595563616 349660883 /nfs/dbraw/zinc/66/08/83/349660883.db2.gz NWEFVNWMRBCVIC-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000595563616 349660885 /nfs/dbraw/zinc/66/08/85/349660885.db2.gz NWEFVNWMRBCVIC-LLVKDONJSA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566353 349662314 /nfs/dbraw/zinc/66/23/14/349662314.db2.gz HOVWCCFPLCBXPT-GWCFXTLKSA-N 1 2 262.309 2.675 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595566353 349662315 /nfs/dbraw/zinc/66/23/15/349662315.db2.gz HOVWCCFPLCBXPT-GWCFXTLKSA-N 1 2 262.309 2.675 20 5 CFBDLO CC[C@@H](C)[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595601422 349670912 /nfs/dbraw/zinc/67/09/12/349670912.db2.gz RLIHDLCOWFDLEC-SNVBAGLBSA-N 1 2 252.314 2.921 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595616376 349677148 /nfs/dbraw/zinc/67/71/48/349677148.db2.gz BMJNABMOGUQTMT-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595616376 349677152 /nfs/dbraw/zinc/67/71/52/349677152.db2.gz BMJNABMOGUQTMT-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnn(C)c1 ZINC000072557348 346928743 /nfs/dbraw/zinc/92/87/43/346928743.db2.gz LEANGNPJLOYFTJ-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnn(C)c1 ZINC000072557348 346928746 /nfs/dbraw/zinc/92/87/46/346928746.db2.gz LEANGNPJLOYFTJ-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO CCn1cc[nH+]c1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596251105 349840382 /nfs/dbraw/zinc/84/03/82/349840382.db2.gz NKMILUMPKVNGIF-UHFFFAOYSA-N 1 2 266.326 2.793 20 5 CFBDLO O=[N+]([O-])c1cccnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596358139 349875785 /nfs/dbraw/zinc/87/57/85/349875785.db2.gz UTGWTSCGTZFEKW-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO CC(=O)c1ccc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596544812 349937452 /nfs/dbraw/zinc/93/74/52/349937452.db2.gz UCCVBMCIQSCLNC-VIFPVBQESA-N 1 2 288.307 2.704 20 5 CFBDLO CN(C)c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000023618991 346253156 /nfs/dbraw/zinc/25/31/56/346253156.db2.gz PPZMWVBNJZCSJA-UHFFFAOYSA-N 1 2 276.271 2.939 20 5 CFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000045752846 346413719 /nfs/dbraw/zinc/41/37/19/346413719.db2.gz ABWNTHIVYGGXQE-SMDDNHRTSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000045752846 346413721 /nfs/dbraw/zinc/41/37/21/346413721.db2.gz ABWNTHIVYGGXQE-SMDDNHRTSA-N 1 2 264.325 2.767 20 5 CFBDLO Cc1cnc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000078626630 347265414 /nfs/dbraw/zinc/26/54/14/347265414.db2.gz ANXJKBRQUOTLJW-UHFFFAOYSA-N 1 2 297.318 2.829 20 5 CFBDLO C[C@@H]([NH2+]Cc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090720659 347555450 /nfs/dbraw/zinc/55/54/50/347555450.db2.gz WIMQFBDVSWNKJY-SNVBAGLBSA-N 1 2 275.283 2.980 20 5 CFBDLO Cc1cccn2cc(CNc3ccncc3[N+](=O)[O-])[nH+]c12 ZINC000091628147 347594373 /nfs/dbraw/zinc/59/43/73/347594373.db2.gz PIYSEOQQMGMWKC-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000093441794 347673964 /nfs/dbraw/zinc/67/39/64/347673964.db2.gz DGVVRJDKVWBOBW-VXGBXAGGSA-N 1 2 276.336 2.922 20 5 CFBDLO C[C@@H]1CSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587549 348098981 /nfs/dbraw/zinc/09/89/81/348098981.db2.gz VTUPIULKQGZRGY-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1CSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000172587549 348098983 /nfs/dbraw/zinc/09/89/83/348098983.db2.gz VTUPIULKQGZRGY-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000255087363 348302839 /nfs/dbraw/zinc/30/28/39/348302839.db2.gz WOSPDUCBFIFEIX-IMMZDGJCSA-N 1 2 288.347 2.719 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@H]1C1CC1 ZINC000255087363 348302843 /nfs/dbraw/zinc/30/28/43/348302843.db2.gz WOSPDUCBFIFEIX-IMMZDGJCSA-N 1 2 288.347 2.719 20 5 CFBDLO C[C@@H](CCCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413190815 233031751 /nfs/dbraw/zinc/03/17/51/233031751.db2.gz XQOUTLOAWHQYGQ-JTQLQIEISA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@H](O)C[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230185 233038378 /nfs/dbraw/zinc/03/83/78/233038378.db2.gz ADPUFPMFSQHPIO-UWVGGRQHSA-N 1 2 275.308 2.714 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)F)C2)c(F)c1 ZINC000586768404 348749251 /nfs/dbraw/zinc/74/92/51/348749251.db2.gz HMRJJRKRIFWHOM-SSDOTTSWSA-N 1 2 292.232 2.960 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](C(F)F)C2)c(F)c1 ZINC000586768404 348749252 /nfs/dbraw/zinc/74/92/52/348749252.db2.gz HMRJJRKRIFWHOM-SSDOTTSWSA-N 1 2 292.232 2.960 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000590052727 348871441 /nfs/dbraw/zinc/87/14/41/348871441.db2.gz IJUPLGBVERGXDZ-UHFFFAOYSA-N 1 2 276.336 2.922 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1[nH]cc[nH+]1 ZINC000590600423 348914063 /nfs/dbraw/zinc/91/40/63/348914063.db2.gz OHOODZWBMPGWHT-SNVBAGLBSA-N 1 2 260.297 2.511 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972257 348975730 /nfs/dbraw/zinc/97/57/30/348975730.db2.gz ARSLASFPGZHUBS-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972257 348975731 /nfs/dbraw/zinc/97/57/31/348975731.db2.gz ARSLASFPGZHUBS-RISCZKNCSA-N 1 2 296.754 2.859 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC([C@H]4CCOC4)C3)c2c1 ZINC000591159710 348994798 /nfs/dbraw/zinc/99/47/98/348994798.db2.gz OSXALQIPOXMPSK-LBPRGKRZSA-N 1 2 299.330 2.616 20 5 CFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058438 349196904 /nfs/dbraw/zinc/19/69/04/349196904.db2.gz MAGRQUKGXCNISJ-LBPRGKRZSA-N 1 2 294.351 2.690 20 5 CFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593058438 349196907 /nfs/dbraw/zinc/19/69/07/349196907.db2.gz MAGRQUKGXCNISJ-LBPRGKRZSA-N 1 2 294.351 2.690 20 5 CFBDLO Cc1nn(Cc2cc(OC(C)C)cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000593417195 349265059 /nfs/dbraw/zinc/26/50/59/349265059.db2.gz APVXAZACTPQMME-UHFFFAOYSA-N 1 2 290.323 2.639 20 5 CFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040527 349359783 /nfs/dbraw/zinc/35/97/83/349359783.db2.gz GNBZMXBXPRPJLQ-ZFWWWQNUSA-N 1 2 294.351 2.738 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000414554837 233290857 /nfs/dbraw/zinc/29/08/57/233290857.db2.gz LPLHLBKNUIZZEE-UHFFFAOYSA-N 1 2 290.348 2.614 20 5 CFBDLO CC[C@@H](CCO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599061196 350368379 /nfs/dbraw/zinc/36/83/79/350368379.db2.gz LBMVNOSYVGUVMG-NSHDSACASA-N 1 2 289.335 2.964 20 5 CFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000599012891 350359030 /nfs/dbraw/zinc/35/90/30/350359030.db2.gz DIOVKRVETOXLFS-PHIMTYICSA-N 1 2 287.319 2.757 20 5 CFBDLO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599018837 350359846 /nfs/dbraw/zinc/35/98/46/350359846.db2.gz NSTPCVMKQXRIHD-GFCCVEGCSA-N 1 2 287.319 2.758 20 5 CFBDLO C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C[C@H](C)O ZINC000599046751 350364847 /nfs/dbraw/zinc/36/48/47/350364847.db2.gz MKGSYVYCHSSXCU-MNOVXSKESA-N 1 2 289.335 2.962 20 5 CFBDLO CN(c1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000599081872 350372510 /nfs/dbraw/zinc/37/25/10/350372510.db2.gz OAJJPTGNLDZEEB-GFCCVEGCSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1c(N[C@H]2CC[C@@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599083696 350372563 /nfs/dbraw/zinc/37/25/63/350372563.db2.gz OPVHWMNZFHGRLI-PWSUYJOCSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CO1 ZINC000599092950 350374824 /nfs/dbraw/zinc/37/48/24/350374824.db2.gz LDVCTXBXAIUOQU-GXSJLCMTSA-N 1 2 273.292 2.732 20 5 CFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000599103513 350376402 /nfs/dbraw/zinc/37/64/02/350376402.db2.gz WSNAZHPDAQAHIL-GFCCVEGCSA-N 1 2 284.319 2.687 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[NH+](C2CC2)C2CC2)c(F)c1 ZINC000599599604 350463325 /nfs/dbraw/zinc/46/33/25/350463325.db2.gz MYWNNUFSZVNXRY-UHFFFAOYSA-N 1 2 268.263 3.000 20 5 CFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000107288559 186167238 /nfs/dbraw/zinc/16/72/38/186167238.db2.gz RTSQYKYEMLYEGL-UHFFFAOYSA-N 1 2 271.276 2.859 20 5 CFBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271388666 191111212 /nfs/dbraw/zinc/11/12/12/191111212.db2.gz YQYQACWGWOPORP-UHFFFAOYSA-N 1 2 298.249 2.542 20 5 CFBDLO O=[N+]([O-])c1ccc(CCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110263905 186289501 /nfs/dbraw/zinc/28/95/01/186289501.db2.gz OOXUGRQGXWWLJZ-UHFFFAOYSA-N 1 2 284.319 2.917 20 5 CFBDLO CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000601197488 350694317 /nfs/dbraw/zinc/69/43/17/350694317.db2.gz BOOGJZZJGMAYFD-UHFFFAOYSA-N 1 2 295.730 2.687 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000602883136 351057538 /nfs/dbraw/zinc/05/75/38/351057538.db2.gz WQADRSUFXADBAJ-NSHDSACASA-N 1 2 278.337 2.717 20 5 CFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000602883136 351057541 /nfs/dbraw/zinc/05/75/41/351057541.db2.gz WQADRSUFXADBAJ-NSHDSACASA-N 1 2 278.337 2.717 20 5 CFBDLO Cn1c[nH+]c(CSCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000603361338 351147255 /nfs/dbraw/zinc/14/72/55/351147255.db2.gz ZOHPQOPTHWDSDI-UHFFFAOYSA-N 1 2 293.348 2.641 20 5 CFBDLO O=[N+]([O-])c1cn(CCc2[nH]c3ccccc3[nH+]2)nc1C1CC1 ZINC000603328435 351140378 /nfs/dbraw/zinc/14/03/78/351140378.db2.gz RYGQKETXVHBMNX-UHFFFAOYSA-N 1 2 297.318 2.788 20 5 CFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])s1 ZINC000609623186 351512236 /nfs/dbraw/zinc/51/22/36/351512236.db2.gz SBRBJLLZWUZFTE-UHFFFAOYSA-N 1 2 288.288 2.556 20 5 CFBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000610726402 351598240 /nfs/dbraw/zinc/59/82/40/351598240.db2.gz BIORGLMFKYYEJS-WDEREUQCSA-N 1 2 292.364 2.940 20 5 CFBDLO COc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cn1 ZINC000610999170 351632539 /nfs/dbraw/zinc/63/25/39/351632539.db2.gz HIWFAKBCDQXHTM-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cn1 ZINC000610999170 351632543 /nfs/dbraw/zinc/63/25/43/351632543.db2.gz HIWFAKBCDQXHTM-UHFFFAOYSA-N 1 2 293.348 2.692 20 5 CFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000611257703 351659010 /nfs/dbraw/zinc/65/90/10/351659010.db2.gz YRTKKMVHUFISQB-UHFFFAOYSA-N 1 2 294.351 2.691 20 5 CFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000611257703 351659012 /nfs/dbraw/zinc/65/90/12/351659012.db2.gz YRTKKMVHUFISQB-UHFFFAOYSA-N 1 2 294.351 2.691 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCc1ccn2cc[nH+]c2c1 ZINC000611413538 351686995 /nfs/dbraw/zinc/68/69/95/351686995.db2.gz BEGIXRHFZDGFCL-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501292 351698376 /nfs/dbraw/zinc/69/83/76/351698376.db2.gz AIHPAWNYDUKRFB-GXFFZTMASA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501292 351698380 /nfs/dbraw/zinc/69/83/80/351698380.db2.gz AIHPAWNYDUKRFB-GXFFZTMASA-N 1 2 282.315 2.783 20 5 CFBDLO O=[N+]([O-])c1ccsc1NCCc1cn2ccccc2[nH+]1 ZINC000611290034 351664704 /nfs/dbraw/zinc/66/47/04/351664704.db2.gz XKDPTEVTDPBQKS-UHFFFAOYSA-N 1 2 288.332 2.959 20 5 CFBDLO Cc1cn2c(n1)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611983900 351758700 /nfs/dbraw/zinc/75/87/00/351758700.db2.gz VZBWCEJKWKVHHU-XQRVVYSFSA-N 1 2 298.346 2.629 20 5 CFBDLO Cc1cn2c(n1)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000611983900 351758704 /nfs/dbraw/zinc/75/87/04/351758704.db2.gz VZBWCEJKWKVHHU-XQRVVYSFSA-N 1 2 298.346 2.629 20 5 CFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000271528065 191193633 /nfs/dbraw/zinc/19/36/33/191193633.db2.gz PGGRCLGDSKSXPH-UWVGGRQHSA-N 1 2 289.339 2.687 20 5 CFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154483784 188145306 /nfs/dbraw/zinc/14/53/06/188145306.db2.gz SJMKDAXBMPWWNK-LLVKDONJSA-N 1 2 294.351 2.757 20 5 CFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154483784 188145308 /nfs/dbraw/zinc/14/53/08/188145308.db2.gz SJMKDAXBMPWWNK-LLVKDONJSA-N 1 2 294.351 2.757 20 5 CFBDLO Cc1c(C[N@@H+]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000154313429 188135445 /nfs/dbraw/zinc/13/54/45/188135445.db2.gz AHNIETPFJTZLQA-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO Cc1c(C[N@H+]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000154313429 188135447 /nfs/dbraw/zinc/13/54/47/188135447.db2.gz AHNIETPFJTZLQA-UHFFFAOYSA-N 1 2 276.336 2.658 20 5 CFBDLO CCn1cc[nH+]c1CNc1c(F)cccc1[N+](=O)[O-] ZINC000156398389 188260136 /nfs/dbraw/zinc/26/01/36/188260136.db2.gz VIIAEMYSTQHYEH-UHFFFAOYSA-N 1 2 264.260 2.562 20 5 CFBDLO COc1ccc(COc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000431522840 383679902 /nfs/dbraw/zinc/67/99/02/383679902.db2.gz YMVLZGFGVWBDKJ-UHFFFAOYSA-N 1 2 260.249 2.577 20 5 CFBDLO C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134046848 290592459 /nfs/dbraw/zinc/59/24/59/290592459.db2.gz BIBIAUQFFCGOSD-WFASDCNBSA-N 1 2 286.335 2.879 20 5 CFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000298276177 200380494 /nfs/dbraw/zinc/38/04/94/200380494.db2.gz ABWNTHIVYGGXQE-BXUZGUMPSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000298276177 200380495 /nfs/dbraw/zinc/38/04/95/200380495.db2.gz ABWNTHIVYGGXQE-BXUZGUMPSA-N 1 2 264.325 2.767 20 5 CFBDLO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177568297 189057719 /nfs/dbraw/zinc/05/77/19/189057719.db2.gz LSIQJGORLWACET-AWEZNQCLSA-N 1 2 290.319 2.974 20 5 CFBDLO Cc1cc(C)c(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000456842268 244302238 /nfs/dbraw/zinc/30/22/38/244302238.db2.gz GBZYTIPTLQBBOE-UHFFFAOYSA-N 1 2 299.330 2.845 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)n1 ZINC000459743649 245299313 /nfs/dbraw/zinc/29/93/13/245299313.db2.gz HHGKJQSTNRSVOW-SECBINFHSA-N 1 2 294.742 2.833 20 5 CFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccn1 ZINC000035125197 372543216 /nfs/dbraw/zinc/54/32/16/372543216.db2.gz QZYIRHVQSFLPLQ-NSHDSACASA-N 1 2 287.319 2.849 20 5 CFBDLO Cc1cc(N)nc(SCc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000042153363 372879412 /nfs/dbraw/zinc/87/94/12/372879412.db2.gz NIABBOGMGSHNTG-UHFFFAOYSA-N 1 2 290.348 2.876 20 5 CFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000042316411 372907113 /nfs/dbraw/zinc/90/71/13/372907113.db2.gz JNEKFACLFMPFFA-LBPRGKRZSA-N 1 2 284.743 2.859 20 5 CFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCO1 ZINC000042316411 372907117 /nfs/dbraw/zinc/90/71/17/372907117.db2.gz JNEKFACLFMPFFA-LBPRGKRZSA-N 1 2 284.743 2.859 20 5 CFBDLO CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000048400582 373176683 /nfs/dbraw/zinc/17/66/83/373176683.db2.gz BAWMBQRFURLWQY-UHFFFAOYSA-N 1 2 258.281 2.792 20 5 CFBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1C ZINC000051922512 373420416 /nfs/dbraw/zinc/42/04/16/373420416.db2.gz RZVDQZGIGWOAKZ-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO Cc1c[nH+]c(CNC(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000492051229 246167910 /nfs/dbraw/zinc/16/79/10/246167910.db2.gz VFLYEXDGRKRIFN-UHFFFAOYSA-N 1 2 288.351 2.662 20 5 CFBDLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000492051229 246167914 /nfs/dbraw/zinc/16/79/14/246167914.db2.gz VFLYEXDGRKRIFN-UHFFFAOYSA-N 1 2 288.351 2.662 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093418015 375234030 /nfs/dbraw/zinc/23/40/30/375234030.db2.gz VXROHZMLUUDJDR-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093418015 375234033 /nfs/dbraw/zinc/23/40/33/375234033.db2.gz VXROHZMLUUDJDR-NWDGAFQWSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cncs1)CC2 ZINC000093338250 375218612 /nfs/dbraw/zinc/21/86/12/375218612.db2.gz WPKIBJKESNNOLO-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cncs1)CC2 ZINC000093338250 375218616 /nfs/dbraw/zinc/21/86/16/375218616.db2.gz WPKIBJKESNNOLO-UHFFFAOYSA-N 1 2 275.333 2.610 20 5 CFBDLO CCC[NH+](CCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505349948 247136437 /nfs/dbraw/zinc/13/64/37/247136437.db2.gz MQMXNIBSYXVCJY-UHFFFAOYSA-N 1 2 252.314 2.922 20 5 CFBDLO CC[C@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135702042 378159448 /nfs/dbraw/zinc/15/94/48/378159448.db2.gz WCSOBIVLAYYJIR-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135702042 378159452 /nfs/dbraw/zinc/15/94/52/378159452.db2.gz WCSOBIVLAYYJIR-OAHLLOKOSA-N 1 2 294.351 2.604 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000153227213 378482971 /nfs/dbraw/zinc/48/29/71/378482971.db2.gz DYOVPTJSRLIDDW-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000153227213 378482975 /nfs/dbraw/zinc/48/29/75/378482975.db2.gz DYOVPTJSRLIDDW-UHFFFAOYSA-N 1 2 269.304 2.548 20 5 CFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330518793 378576214 /nfs/dbraw/zinc/57/62/14/378576214.db2.gz NBRCPWDRXYCPNS-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000330518793 378576220 /nfs/dbraw/zinc/57/62/20/378576220.db2.gz NBRCPWDRXYCPNS-HNNXBMFYSA-N 1 2 294.351 2.604 20 5 CFBDLO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330673681 378596241 /nfs/dbraw/zinc/59/62/41/378596241.db2.gz YSOYDUXBUQUDBH-GWCFXTLKSA-N 1 2 264.325 2.969 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000171634813 379362081 /nfs/dbraw/zinc/36/20/81/379362081.db2.gz NIOGAZGBBQZFRK-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000171634813 379362087 /nfs/dbraw/zinc/36/20/87/379362087.db2.gz NIOGAZGBBQZFRK-SNVBAGLBSA-N 1 2 282.315 2.733 20 5 CFBDLO CC(C)[N@H+](Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC000172652179 379616097 /nfs/dbraw/zinc/61/60/97/379616097.db2.gz DCVDJAVXUMMZLH-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO CC(C)[N@@H+](Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC000172652179 379616109 /nfs/dbraw/zinc/61/61/09/379616109.db2.gz DCVDJAVXUMMZLH-UHFFFAOYSA-N 1 2 275.308 2.993 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1F ZINC000341276108 380892112 /nfs/dbraw/zinc/89/21/12/380892112.db2.gz HRJVJYGUYBYRLT-CYBMUJFWSA-N 1 2 286.278 2.676 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@@](C)(F)C2)c([N+](=O)[O-])cc1F ZINC000341276108 380892119 /nfs/dbraw/zinc/89/21/19/380892119.db2.gz HRJVJYGUYBYRLT-CYBMUJFWSA-N 1 2 286.278 2.676 20 5 CFBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000289855547 381189019 /nfs/dbraw/zinc/18/90/19/381189019.db2.gz QAUJMRYBORITPR-UHFFFAOYSA-N 1 2 292.364 2.607 20 5 CFBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000342291083 381251402 /nfs/dbraw/zinc/25/14/02/381251402.db2.gz FLTQWEWWCKHZPL-QMMMGPOBSA-N 1 2 278.337 2.606 20 5 CFBDLO Cc1ccnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000342339346 381285468 /nfs/dbraw/zinc/28/54/68/381285468.db2.gz ORSDZRPARWIDFV-GFCCVEGCSA-N 1 2 286.335 2.852 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1[nH+]ccn1C ZINC000348289299 381481475 /nfs/dbraw/zinc/48/14/75/381481475.db2.gz VECLZAKWMJXFTQ-NSHDSACASA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1[nH+]ccn1C ZINC000348289298 381481536 /nfs/dbraw/zinc/48/15/36/381481536.db2.gz VECLZAKWMJXFTQ-LLVKDONJSA-N 1 2 274.324 2.521 20 5 CFBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108773 381535299 /nfs/dbraw/zinc/53/52/99/381535299.db2.gz MAVYTRQUCQHPMN-SNVBAGLBSA-N 1 2 257.293 2.989 20 5 CFBDLO COCC1=CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000185856563 381757068 /nfs/dbraw/zinc/75/70/68/381757068.db2.gz YGKJABGXJDYYMF-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO COCC1=CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000185856563 381757078 /nfs/dbraw/zinc/75/70/78/381757078.db2.gz YGKJABGXJDYYMF-UHFFFAOYSA-N 1 2 280.299 2.512 20 5 CFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349213201 381850055 /nfs/dbraw/zinc/85/00/55/381850055.db2.gz JQTJTXNOQBSJMM-UHFFFAOYSA-N 1 2 266.688 2.608 20 5 CFBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349237088 381856944 /nfs/dbraw/zinc/85/69/44/381856944.db2.gz IDXATWAEKJGERJ-UWVGGRQHSA-N 1 2 261.281 2.995 20 5 CFBDLO COc1cc(C[NH2+][C@H](C)c2ccon2)c([N+](=O)[O-])cc1F ZINC000362175597 381945282 /nfs/dbraw/zinc/94/52/82/381945282.db2.gz FJXNDHGFGJWMRD-MRVPVSSYSA-N 1 2 295.270 2.581 20 5 CFBDLO Cc1cn(Cc2ccc(C(C)C)[nH+]c2C)nc1[N+](=O)[O-] ZINC000418969622 382202994 /nfs/dbraw/zinc/20/29/94/382202994.db2.gz GQRHIXXKPPIARB-UHFFFAOYSA-N 1 2 274.324 2.975 20 5 CFBDLO Cc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000302523793 382262463 /nfs/dbraw/zinc/26/24/63/382262463.db2.gz YXARQDOTLGEDCQ-CQSZACIVSA-N 1 2 299.330 2.956 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294026686 382384847 /nfs/dbraw/zinc/38/48/47/382384847.db2.gz NVIGRRWQEKSSIA-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294026686 382384854 /nfs/dbraw/zinc/38/48/54/382384854.db2.gz NVIGRRWQEKSSIA-HOTGVXAUSA-N 1 2 288.347 2.738 20 5 CFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cc(C)[nH+]c(C)c1 ZINC000420656544 382446993 /nfs/dbraw/zinc/44/69/93/382446993.db2.gz UWCBCXXOJSYLGC-UHFFFAOYSA-N 1 2 289.339 2.744 20 5 CFBDLO CC(C)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161005 382504350 /nfs/dbraw/zinc/50/43/50/382504350.db2.gz ASLJMOODGGYWHR-YERXGYGTSA-N 1 2 290.363 2.965 20 5 CFBDLO CC(C)[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000353161005 382504354 /nfs/dbraw/zinc/50/43/54/382504354.db2.gz ASLJMOODGGYWHR-YERXGYGTSA-N 1 2 290.363 2.965 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358277257 382543288 /nfs/dbraw/zinc/54/32/88/382543288.db2.gz ZAMSMVNLEBLJES-UHFFFAOYSA-N 1 2 285.303 2.535 20 5 CFBDLO COc1cnccc1[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189557799 382623998 /nfs/dbraw/zinc/62/39/98/382623998.db2.gz OCZXXKLDFAEHTI-SECBINFHSA-N 1 2 293.348 2.911 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c2cccnc21 ZINC000336850350 382735315 /nfs/dbraw/zinc/73/53/15/382735315.db2.gz RUBWZGTWOIERDH-UHFFFAOYSA-N 1 2 297.318 2.842 20 5 CFBDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000336840740 382731508 /nfs/dbraw/zinc/73/15/08/382731508.db2.gz QONZJRAQHZQCLC-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1O ZINC000336840740 382731511 /nfs/dbraw/zinc/73/15/11/382731511.db2.gz QONZJRAQHZQCLC-CYBMUJFWSA-N 1 2 298.770 2.841 20 5 CFBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000337219968 382779122 /nfs/dbraw/zinc/77/91/22/382779122.db2.gz BTIXAXGCNAYTAQ-NSHDSACASA-N 1 2 294.351 2.677 20 5 CFBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000337219968 382779124 /nfs/dbraw/zinc/77/91/24/382779124.db2.gz BTIXAXGCNAYTAQ-NSHDSACASA-N 1 2 294.351 2.677 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1F ZINC000227400954 382836741 /nfs/dbraw/zinc/83/67/41/382836741.db2.gz XJUCJGYFKYIVJW-CABCVRRESA-N 1 2 294.326 2.877 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1F ZINC000227400954 382836743 /nfs/dbraw/zinc/83/67/43/382836743.db2.gz XJUCJGYFKYIVJW-CABCVRRESA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1ccncc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533802815 382911626 /nfs/dbraw/zinc/91/16/26/382911626.db2.gz OVPXGRKJRAIXOM-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO Cc1ccncc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533802815 382911628 /nfs/dbraw/zinc/91/16/28/382911628.db2.gz OVPXGRKJRAIXOM-UHFFFAOYSA-N 1 2 283.331 2.857 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](F)C1 ZINC000449387197 383255475 /nfs/dbraw/zinc/25/54/75/383255475.db2.gz KVWDYOLJBKNBOL-FHMRSRPSSA-N 1 2 250.273 2.652 20 5 CFBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](F)C1 ZINC000449387197 383255478 /nfs/dbraw/zinc/25/54/78/383255478.db2.gz KVWDYOLJBKNBOL-FHMRSRPSSA-N 1 2 250.273 2.652 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758107 383296909 /nfs/dbraw/zinc/29/69/09/383296909.db2.gz LESWYTCMMPSZMU-ICCXJUOJSA-N 1 2 262.309 2.579 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459797292 383298196 /nfs/dbraw/zinc/29/81/96/383298196.db2.gz RZJFUKBNCZKYTE-IUCAKERBSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459797292 383298203 /nfs/dbraw/zinc/29/82/03/383298203.db2.gz RZJFUKBNCZKYTE-IUCAKERBSA-N 1 2 284.768 2.938 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339778456 383315057 /nfs/dbraw/zinc/31/50/57/383315057.db2.gz VYNDHVPTXYJNHI-INIZCTEOSA-N 1 2 290.363 2.986 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000339778456 383315063 /nfs/dbraw/zinc/31/50/63/383315063.db2.gz VYNDHVPTXYJNHI-INIZCTEOSA-N 1 2 290.363 2.986 20 5 CFBDLO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC000429713802 383562292 /nfs/dbraw/zinc/56/22/92/383562292.db2.gz VWTUVIGCFKAINS-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC000429713802 383562297 /nfs/dbraw/zinc/56/22/97/383562297.db2.gz VWTUVIGCFKAINS-GFCCVEGCSA-N 1 2 294.351 2.758 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(NCCNc2cccc[nH+]2)c(F)c1 ZINC000440596720 384110215 /nfs/dbraw/zinc/11/02/15/384110215.db2.gz KQKQVUXTCYABBN-UHFFFAOYSA-N 1 2 294.261 2.792 20 5 CFBDLO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)cc1C(F)(F)F ZINC000070162904 285108311 /nfs/dbraw/zinc/10/83/11/285108311.db2.gz YPTRGUFHZLWQDE-UHFFFAOYSA-N 1 2 257.171 2.799 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279368348 384616449 /nfs/dbraw/zinc/61/64/49/384616449.db2.gz RNQDVSWCGXKPCF-SKDRFNHKSA-N 1 2 282.365 2.656 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279368348 384616454 /nfs/dbraw/zinc/61/64/54/384616454.db2.gz RNQDVSWCGXKPCF-SKDRFNHKSA-N 1 2 282.365 2.656 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cn1)CC2 ZINC000346442143 285142680 /nfs/dbraw/zinc/14/26/80/285142680.db2.gz FXQBEJMIUKJCGI-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(F)cn1)CC2 ZINC000346442143 285142682 /nfs/dbraw/zinc/14/26/82/285142682.db2.gz FXQBEJMIUKJCGI-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269891990 384895517 /nfs/dbraw/zinc/89/55/17/384895517.db2.gz WGDKQBJZAFJVEB-CYBMUJFWSA-N 1 2 298.346 2.989 20 5 CFBDLO COCC1=CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413228258 533161963 /nfs/dbraw/zinc/16/19/63/533161963.db2.gz KMAAZTWWOAOSNZ-UHFFFAOYSA-N 1 2 299.330 2.926 20 5 CFBDLO C[N@H+](Cc1cnn2ccccc12)Cc1ccccc1[N+](=O)[O-] ZINC000179316327 393463235 /nfs/dbraw/zinc/46/32/35/393463235.db2.gz XBNSUBMYQBCPSK-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1[N+](=O)[O-] ZINC000179316327 393463237 /nfs/dbraw/zinc/46/32/37/393463237.db2.gz XBNSUBMYQBCPSK-UHFFFAOYSA-N 1 2 296.330 2.875 20 5 CFBDLO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330414512 393553204 /nfs/dbraw/zinc/55/32/04/393553204.db2.gz TXMJBTFUQSXKSL-JOYOIKCWSA-N 1 2 250.298 2.579 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000191146977 393588028 /nfs/dbraw/zinc/58/80/28/393588028.db2.gz CXHNOJDHYOFERZ-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000191146977 393588036 /nfs/dbraw/zinc/58/80/36/393588036.db2.gz CXHNOJDHYOFERZ-HNNXBMFYSA-N 1 2 278.352 2.904 20 5 CFBDLO C[C@H]1OCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093417825 393798313 /nfs/dbraw/zinc/79/83/13/393798313.db2.gz CWJWZZUOVJMMCJ-JHSWMASBSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@H]1OCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093417825 393798317 /nfs/dbraw/zinc/79/83/17/393798317.db2.gz CWJWZZUOVJMMCJ-JHSWMASBSA-N 1 2 276.336 2.717 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209526 393968908 /nfs/dbraw/zinc/96/89/08/393968908.db2.gz RJRDZKWGXNFHJQ-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430209526 393968911 /nfs/dbraw/zinc/96/89/11/393968911.db2.gz RJRDZKWGXNFHJQ-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO C[C@H]1COCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492128338 394064395 /nfs/dbraw/zinc/06/43/95/394064395.db2.gz ITWUSUHLECYIIW-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@H]1COCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492128338 394064396 /nfs/dbraw/zinc/06/43/96/394064396.db2.gz ITWUSUHLECYIIW-SNVBAGLBSA-N 1 2 284.743 2.717 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285837421 394154215 /nfs/dbraw/zinc/15/42/15/394154215.db2.gz XFXHGZLGVLJYFH-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285837421 394154218 /nfs/dbraw/zinc/15/42/18/394154218.db2.gz XFXHGZLGVLJYFH-ZDUSSCGKSA-N 1 2 288.307 2.623 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCCCC2)c(F)c1 ZINC000286058117 394185361 /nfs/dbraw/zinc/18/53/61/394185361.db2.gz RNOQECCQNUHDAE-UHFFFAOYSA-N 1 2 256.252 2.859 20 5 CFBDLO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000548096647 394910529 /nfs/dbraw/zinc/91/05/29/394910529.db2.gz DRQFEHZPPSIJDJ-DTORHVGOSA-N 1 2 268.288 2.725 20 5 CFBDLO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000548096647 394910533 /nfs/dbraw/zinc/91/05/33/394910533.db2.gz DRQFEHZPPSIJDJ-DTORHVGOSA-N 1 2 268.288 2.725 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(Cl)c1 ZINC000421009609 397570797 /nfs/dbraw/zinc/57/07/97/397570797.db2.gz BXJDQLHSSSNPEQ-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]23CCOC3)c(Cl)c1 ZINC000421009609 397570801 /nfs/dbraw/zinc/57/08/01/397570801.db2.gz BXJDQLHSSSNPEQ-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO C[C@H](C1CCC1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064571 298263278 /nfs/dbraw/zinc/26/32/78/298263278.db2.gz MRTRNIOTNLIQES-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H](C1CCC1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339064571 298263282 /nfs/dbraw/zinc/26/32/82/298263282.db2.gz MRTRNIOTNLIQES-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000345352510 162233770 /nfs/dbraw/zinc/23/37/70/162233770.db2.gz JPHGRCBRRMYMOD-KOLCDFICSA-N 1 2 258.281 2.909 20 5 CFBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1[nH]cc[nH+]1 ZINC000347957679 162809232 /nfs/dbraw/zinc/80/92/32/162809232.db2.gz MDFKAXVUOYDWBH-QMMMGPOBSA-N 1 2 294.336 2.569 20 5 CFBDLO Cn1c[nH+]cc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439554065 270334212 /nfs/dbraw/zinc/33/42/12/270334212.db2.gz VMXUVQFJDVEMNA-UHFFFAOYSA-N 1 2 267.672 2.561 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364029507 275033592 /nfs/dbraw/zinc/03/35/92/275033592.db2.gz BHVGMJXLCIQBSL-VIFPVBQESA-N 1 2 293.714 2.708 20 5 CFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c(Cl)c1 ZINC000364030679 280379130 /nfs/dbraw/zinc/37/91/30/280379130.db2.gz DXNMMMPIDLFUTA-SNVBAGLBSA-N 1 2 293.714 2.708 20 5 CFBDLO Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000119348232 280607808 /nfs/dbraw/zinc/60/78/08/280607808.db2.gz FLIMVUFCLATLNA-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561614 281175602 /nfs/dbraw/zinc/17/56/02/281175602.db2.gz YBGXZVOCBYPABQ-NEPJUHHUSA-N 1 2 264.325 2.767 20 5 CFBDLO CC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266561614 281175604 /nfs/dbraw/zinc/17/56/04/281175604.db2.gz YBGXZVOCBYPABQ-NEPJUHHUSA-N 1 2 264.325 2.767 20 5 CFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c[nH+]1 ZINC000534299510 281481427 /nfs/dbraw/zinc/48/14/27/281481427.db2.gz GWYKSPMKSDLHDR-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1c[nH]c[nH+]1 ZINC000561411816 282054437 /nfs/dbraw/zinc/05/44/37/282054437.db2.gz QKUATYAVHFXELW-BJMVGYQFSA-N 1 2 258.281 2.833 20 5 CFBDLO COc1cccc(NCCc2ccc(C)[nH+]c2)c1[N+](=O)[O-] ZINC000185400367 323966138 /nfs/dbraw/zinc/96/61/38/323966138.db2.gz GAGNDEGNEHZAQH-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000361153321 523580105 /nfs/dbraw/zinc/58/01/05/523580105.db2.gz JMFURECLHXHBDV-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000361153321 523580112 /nfs/dbraw/zinc/58/01/12/523580112.db2.gz JMFURECLHXHBDV-OAHLLOKOSA-N 1 2 278.352 2.904 20 5 CFBDLO COc1ccc(CNc2cc[nH+]cc2F)cc1[N+](=O)[O-] ZINC000192149669 524104135 /nfs/dbraw/zinc/10/41/35/524104135.db2.gz BQNWTMUBELUDTN-UHFFFAOYSA-N 1 2 277.255 2.750 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000172020515 524995327 /nfs/dbraw/zinc/99/53/27/524995327.db2.gz YVCXIHPKQBYZDR-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000172020515 524995339 /nfs/dbraw/zinc/99/53/39/524995339.db2.gz YVCXIHPKQBYZDR-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000049236080 525570871 /nfs/dbraw/zinc/57/08/71/525570871.db2.gz SVAPBPRTPYSVIQ-NSHDSACASA-N 1 2 260.297 2.600 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3=CCOCC3)c2c1 ZINC000413329707 534884789 /nfs/dbraw/zinc/88/47/89/534884789.db2.gz OMAYUJXJXPLSLH-UHFFFAOYSA-N 1 2 285.303 2.902 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3(O)CCC3)c2c1 ZINC000413293918 534885198 /nfs/dbraw/zinc/88/51/98/534885198.db2.gz OKMJDXNFUUVKDM-UHFFFAOYSA-N 1 2 287.319 2.860 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CCCO3)c2c1 ZINC000413023013 534885237 /nfs/dbraw/zinc/88/52/37/534885237.db2.gz HRXMZCKQPXCBNT-GFCCVEGCSA-N 1 2 273.292 2.734 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](CO)C3CC3)c2c1 ZINC000413311766 534885274 /nfs/dbraw/zinc/88/52/74/534885274.db2.gz PKFCFDBDPVPKAH-LBPRGKRZSA-N 1 2 287.319 2.573 20 5 CFBDLO Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000340231174 526100485 /nfs/dbraw/zinc/10/04/85/526100485.db2.gz LGPTYHZNNFEHCL-UHFFFAOYSA-N 1 2 299.330 2.636 20 5 CFBDLO Cc1sc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000074350506 526875365 /nfs/dbraw/zinc/87/53/65/526875365.db2.gz IJPKJIAMSCROEA-UHFFFAOYSA-N 1 2 277.305 2.920 20 5 CFBDLO O=[N+]([O-])c1ccccc1NCCCNc1cccc[nH+]1 ZINC000048561522 527402487 /nfs/dbraw/zinc/40/24/87/527402487.db2.gz PSBNEVDRBQTHNJ-UHFFFAOYSA-N 1 2 272.308 2.904 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000728566476 574100333 /nfs/dbraw/zinc/10/03/33/574100333.db2.gz GLNJNHKPWSFWPI-LBPRGKRZSA-N 1 2 290.298 2.772 20 5 CFBDLO NC(Cc1cccs1)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000731028611 574106993 /nfs/dbraw/zinc/10/69/93/574106993.db2.gz GTJSEYZOMVYLFL-UHFFFAOYSA-N 1 2 291.332 2.897 20 5 CFBDLO Cn1cc[nH+]c1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210063 574112771 /nfs/dbraw/zinc/11/27/71/574112771.db2.gz LXMLZBNGVUCUAC-UHFFFAOYSA-N 1 2 289.320 2.550 20 5 CFBDLO CCNc1cc(CNc2ncc([N+](=O)[O-])cc2C)cc[nH+]1 ZINC000894871625 619492157 /nfs/dbraw/zinc/49/21/57/619492157.db2.gz UOMJUAPCMNUTCQ-UHFFFAOYSA-N 1 2 287.323 2.737 20 5 CFBDLO O=[N+]([O-])CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000899232261 620534072 /nfs/dbraw/zinc/53/40/72/620534072.db2.gz MHABBFFRSURLOG-UHFFFAOYSA-N 1 2 287.319 2.542 20 5 CFBDLO CCn1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000902460036 621096184 /nfs/dbraw/zinc/09/61/84/621096184.db2.gz FPJDQKKYVGDQEX-LLVKDONJSA-N 1 2 274.324 2.662 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2ncc(Cl)s2)c1 ZINC000225332904 623035246 /nfs/dbraw/zinc/03/52/46/623035246.db2.gz HFWOJQNKHMZNSJ-UHFFFAOYSA-N 1 2 283.740 2.995 20 5 CFBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000824534017 623519964 /nfs/dbraw/zinc/51/99/64/623519964.db2.gz XFKIMFUASBHGGV-UHFFFAOYSA-N 1 2 252.701 2.844 20 5 CFBDLO Cc1nn(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1Cl ZINC000089232670 623675449 /nfs/dbraw/zinc/67/54/49/623675449.db2.gz NEKLLSFRKGKJEQ-UHFFFAOYSA-N 1 2 294.742 2.580 20 5 CFBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000929821121 623822731 /nfs/dbraw/zinc/82/27/31/623822731.db2.gz IZVQKRHOUJFBBN-GFCCVEGCSA-N 1 2 299.168 2.863 20 5 CFBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000929821121 623822740 /nfs/dbraw/zinc/82/27/40/623822740.db2.gz IZVQKRHOUJFBBN-GFCCVEGCSA-N 1 2 299.168 2.863 20 5 CFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnccn1 ZINC000773039997 627773482 /nfs/dbraw/zinc/77/34/82/627773482.db2.gz HTOTUGCAFZHIRX-VIFPVBQESA-N 1 2 292.726 2.889 20 5 CFBDLO CCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000840954929 631282016 /nfs/dbraw/zinc/28/20/16/631282016.db2.gz MBTZDNFHNUVPSK-UHFFFAOYSA-N 1 2 294.742 2.754 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000850506768 634022140 /nfs/dbraw/zinc/02/21/40/634022140.db2.gz BRUNXQSHIHNWNO-HIFRSBDPSA-N 1 2 298.346 2.726 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000850507024 634023122 /nfs/dbraw/zinc/02/31/22/634023122.db2.gz DCEACOOOMLYCTK-HIFRSBDPSA-N 1 2 298.346 2.726 20 5 CFBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000865745743 638550141 /nfs/dbraw/zinc/55/01/41/638550141.db2.gz JXLUNZRWCCRHQP-CQSZACIVSA-N 1 2 294.351 2.738 20 5 CFBDLO CCc1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000872036119 641568593 /nfs/dbraw/zinc/56/85/93/641568593.db2.gz RWSCQNJBOYJCJJ-SECBINFHSA-N 1 2 292.314 2.870 20 5 CFBDLO Cc1n[nH]cc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047195 641580915 /nfs/dbraw/zinc/58/09/15/641580915.db2.gz CHHYRQPBNPHGFN-SECBINFHSA-N 1 2 278.287 2.616 20 5 CFBDLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047196 641581113 /nfs/dbraw/zinc/58/11/13/641581113.db2.gz CHHYRQPBNPHGFN-VIFPVBQESA-N 1 2 278.287 2.616 20 5 CFBDLO O=[N+]([O-])c1cc(Cn2cc[nH+]c2)ccc1Br ZINC000125980766 642892099 /nfs/dbraw/zinc/89/20/99/642892099.db2.gz SOXXXKKLHRTAGW-UHFFFAOYSA-N 1 2 282.097 2.602 20 5 CFBDLO C[N@H+](Cc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885941967 646776320 /nfs/dbraw/zinc/77/63/20/646776320.db2.gz IHULAKWUISQWIX-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885941967 646776321 /nfs/dbraw/zinc/77/63/21/646776321.db2.gz IHULAKWUISQWIX-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000886025578 646826445 /nfs/dbraw/zinc/82/64/45/646826445.db2.gz HQSSPFMQGLUDAG-UHFFFAOYSA-N 1 2 289.257 2.764 20 5 CFBDLO CC[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1nccs1 ZINC000886069655 646852452 /nfs/dbraw/zinc/85/24/52/646852452.db2.gz JQRKLKNACKRUOD-CYBMUJFWSA-N 1 2 292.364 2.861 20 5 CFBDLO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1nc(C)cs1 ZINC000886125331 646883067 /nfs/dbraw/zinc/88/30/67/646883067.db2.gz OJDCWYKCLKIUPD-NSHDSACASA-N 1 2 292.364 2.996 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000886265184 646939375 /nfs/dbraw/zinc/93/93/75/646939375.db2.gz ALPNOHFQJPYTQZ-GFCCVEGCSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000886265184 646939380 /nfs/dbraw/zinc/93/93/80/646939380.db2.gz ALPNOHFQJPYTQZ-GFCCVEGCSA-N 1 2 291.351 2.523 20 5 CFBDLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc([N+](=O)[O-])cc1 ZINC000926891276 648647066 /nfs/dbraw/zinc/64/70/66/648647066.db2.gz IKCSLIVOMGWNKV-GIPNMCIBSA-N 1 2 287.323 2.543 20 5 CFBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC000930207596 649206706 /nfs/dbraw/zinc/20/67/06/649206706.db2.gz BFRMQTSUFKYEOD-WDEREUQCSA-N 1 2 272.308 2.797 20 5 CFBDLO Cc1cn(C)nc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554351 649272165 /nfs/dbraw/zinc/27/21/65/649272165.db2.gz JRHYEOBOOPZYGQ-UHFFFAOYSA-N 1 2 288.351 2.662 20 5 CFBDLO Cc1c(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456545 649431482 /nfs/dbraw/zinc/43/14/82/649431482.db2.gz QXMBBJQZYKTWFT-JTQLQIEISA-N 1 2 286.335 2.746 20 5 CFBDLO Cc1c(C[N@H+]2Cc3c[nH]nc3[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000931456545 649431483 /nfs/dbraw/zinc/43/14/83/649431483.db2.gz QXMBBJQZYKTWFT-JTQLQIEISA-N 1 2 286.335 2.746 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458567 649432150 /nfs/dbraw/zinc/43/21/50/649432150.db2.gz IHFVFAWATINNNX-MNOVXSKESA-N 1 2 286.335 2.998 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931458567 649432152 /nfs/dbraw/zinc/43/21/52/649432152.db2.gz IHFVFAWATINNNX-MNOVXSKESA-N 1 2 286.335 2.998 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000932178022 649559919 /nfs/dbraw/zinc/55/99/19/649559919.db2.gz TYYFICSLENGGMI-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227263116 776162923 /nfs/dbraw/zinc/16/29/23/776162923.db2.gz CDSGNGYJNWFRLB-SNVBAGLBSA-N 1 2 290.323 2.579 20 5 CFBDLO C[NH+](C)Cc1csc(CNc2ccsc2[N+](=O)[O-])n1 ZINC000722389850 776572215 /nfs/dbraw/zinc/57/22/15/776572215.db2.gz FIPXWZFYDMOXOB-UHFFFAOYSA-N 1 2 298.393 2.787 20 5 CFBDLO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@@H]4C[C@H]3CO4)nc12 ZINC001232223458 777480985 /nfs/dbraw/zinc/48/09/85/777480985.db2.gz NBDYWHGKQBCPPA-HOTGVXAUSA-N 1 2 291.354 2.756 20 5 CFBDLO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@@H]4C[C@H]3CO4)nc12 ZINC001232223458 777480990 /nfs/dbraw/zinc/48/09/90/777480990.db2.gz NBDYWHGKQBCPPA-HOTGVXAUSA-N 1 2 291.354 2.756 20 5 CFBDLO c1cnc2c(c1)ccc1ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)nc12 ZINC001232221759 777481110 /nfs/dbraw/zinc/48/11/10/777481110.db2.gz DQGDMYMARNRTEF-IYBDPMFKSA-N 1 2 291.354 2.756 20 5 CFBDLO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)nc12 ZINC001232221759 777481113 /nfs/dbraw/zinc/48/11/13/777481113.db2.gz DQGDMYMARNRTEF-IYBDPMFKSA-N 1 2 291.354 2.756 20 5 CFBDLO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1COC1 ZINC001232223509 777481164 /nfs/dbraw/zinc/48/11/64/777481164.db2.gz OWHWLPUJXIJWIW-UHFFFAOYSA-N 1 2 279.343 2.614 20 5 CFBDLO C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C1COC1 ZINC001232223509 777481170 /nfs/dbraw/zinc/48/11/70/777481170.db2.gz OWHWLPUJXIJWIW-UHFFFAOYSA-N 1 2 279.343 2.614 20 5 CFBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000127744198 778346031 /nfs/dbraw/zinc/34/60/31/778346031.db2.gz IKSDNFITUKJQPS-HNNXBMFYSA-N 1 2 286.335 2.894 20 5 CFBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cc([N+](=O)[O-])cn2)c1 ZINC000127744198 778346036 /nfs/dbraw/zinc/34/60/36/778346036.db2.gz IKSDNFITUKJQPS-HNNXBMFYSA-N 1 2 286.335 2.894 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000595294533 349593814 /nfs/dbraw/zinc/59/38/14/349593814.db2.gz NNIACXQCOZSUSM-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000595294533 349593816 /nfs/dbraw/zinc/59/38/16/349593816.db2.gz NNIACXQCOZSUSM-JTQLQIEISA-N 1 2 282.315 2.733 20 5 CFBDLO CC(C)[N@H+](Cc1cn(C)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295601 349595313 /nfs/dbraw/zinc/59/53/13/349595313.db2.gz MKWBVPCLRCFLCK-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO CC(C)[N@@H+](Cc1cn(C)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295601 349595315 /nfs/dbraw/zinc/59/53/15/349595315.db2.gz MKWBVPCLRCFLCK-UHFFFAOYSA-N 1 2 288.351 2.739 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595304809 349597934 /nfs/dbraw/zinc/59/79/34/349597934.db2.gz COMLNJDZJNISOH-UHFFFAOYSA-N 1 2 281.337 2.893 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595304809 349597936 /nfs/dbraw/zinc/59/79/36/349597936.db2.gz COMLNJDZJNISOH-UHFFFAOYSA-N 1 2 281.337 2.893 20 5 CFBDLO COc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595410033 349617947 /nfs/dbraw/zinc/61/79/47/349617947.db2.gz JCFYHLZHTJVFTH-SECBINFHSA-N 1 2 291.307 2.751 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cn2c(cccc2C)[nH+]1 ZINC000068772556 346868613 /nfs/dbraw/zinc/86/86/13/346868613.db2.gz BARJEDDOVRKMAD-UHFFFAOYSA-N 1 2 297.318 2.866 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619017 349678781 /nfs/dbraw/zinc/67/87/81/349678781.db2.gz YHCHBCREXBRFGD-CYBMUJFWSA-N 1 2 282.365 2.657 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000595619017 349678785 /nfs/dbraw/zinc/67/87/85/349678785.db2.gz YHCHBCREXBRFGD-CYBMUJFWSA-N 1 2 282.365 2.657 20 5 CFBDLO C[C@]1(C2CC2)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595625820 349681782 /nfs/dbraw/zinc/68/17/82/349681782.db2.gz ORUFFVLNRJGHDM-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595625820 349681785 /nfs/dbraw/zinc/68/17/85/349681785.db2.gz ORUFFVLNRJGHDM-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nccnc2C1 ZINC000595862887 349757786 /nfs/dbraw/zinc/75/77/86/349757786.db2.gz IBSCNNBNLGGJEE-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nccnc2C1 ZINC000595862887 349757789 /nfs/dbraw/zinc/75/77/89/349757789.db2.gz IBSCNNBNLGGJEE-GFCCVEGCSA-N 1 2 298.346 2.813 20 5 CFBDLO O=[N+]([O-])c1cnccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000072291262 346924870 /nfs/dbraw/zinc/92/48/70/346924870.db2.gz FXPZQKAPGLOWEN-UHFFFAOYSA-N 1 2 282.259 2.968 20 5 CFBDLO CCn1cc[nH+]c1CNc1cccc(C)c1[N+](=O)[O-] ZINC000295034347 199312340 /nfs/dbraw/zinc/31/23/40/199312340.db2.gz SFFJPGNYYDEANX-UHFFFAOYSA-N 1 2 260.297 2.732 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCCC2)cn1 ZINC000596356816 349875744 /nfs/dbraw/zinc/87/57/44/349875744.db2.gz KZZCERTYJFSQPG-UHFFFAOYSA-N 1 2 299.334 2.597 20 5 CFBDLO Cc1cc(NCCc2cn3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000074738835 347029804 /nfs/dbraw/zinc/02/98/04/347029804.db2.gz XBKPWSJULUPXKP-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000016445428 346238335 /nfs/dbraw/zinc/23/83/35/346238335.db2.gz XJEZYJPLGMSQOX-VIFPVBQESA-N 1 2 297.742 2.671 20 5 CFBDLO Cc1cc(NC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389445 346567722 /nfs/dbraw/zinc/56/77/22/346567722.db2.gz WXXCLRMSIDMASK-UHFFFAOYSA-N 1 2 270.292 2.935 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000076849062 347156870 /nfs/dbraw/zinc/15/68/70/347156870.db2.gz DLLFJVJTKSLRKZ-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000076849062 347156874 /nfs/dbraw/zinc/15/68/74/347156874.db2.gz DLLFJVJTKSLRKZ-UHFFFAOYSA-N 1 2 284.315 2.989 20 5 CFBDLO Cc1ccnc(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000078336772 347242660 /nfs/dbraw/zinc/24/26/60/347242660.db2.gz RNDYRSDZZQZZFD-UHFFFAOYSA-N 1 2 289.339 2.763 20 5 CFBDLO CC(C)n1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000084225365 347460135 /nfs/dbraw/zinc/46/01/35/347460135.db2.gz SFRKHHLMQSIVPM-UHFFFAOYSA-N 1 2 274.324 2.662 20 5 CFBDLO CNc1ccc(Nc2cc(OC)cc(F)c2[N+](=O)[O-])c[nH+]1 ZINC000092612342 347635083 /nfs/dbraw/zinc/63/50/83/347635083.db2.gz ZNLBMPTXCUNKKF-UHFFFAOYSA-N 1 2 292.270 2.923 20 5 CFBDLO C[N@H+](CCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092067043 347607455 /nfs/dbraw/zinc/60/74/55/347607455.db2.gz CRXVHNDASSUFPG-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO C[N@@H+](CCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092067043 347607460 /nfs/dbraw/zinc/60/74/60/347607460.db2.gz CRXVHNDASSUFPG-UHFFFAOYSA-N 1 2 250.298 2.532 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2cccc(C)[nH+]2)n1 ZINC000281584700 348342963 /nfs/dbraw/zinc/34/29/63/348342963.db2.gz WTVWKIZXLZOZGQ-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO COC(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413159674 233025482 /nfs/dbraw/zinc/02/54/82/233025482.db2.gz BVOQYVIVWNDYPA-UHFFFAOYSA-N 1 2 275.308 2.980 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413326557 233053441 /nfs/dbraw/zinc/05/34/41/233053441.db2.gz WKXKBIHHKZOONL-QMMMGPOBSA-N 1 2 279.275 2.518 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1cccnc1[N+](=O)[O-] ZINC000590715729 348935035 /nfs/dbraw/zinc/93/50/35/348935035.db2.gz KFXBSTYTYPKAPL-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000590567579 348908997 /nfs/dbraw/zinc/90/89/97/348908997.db2.gz OLKYDCSOWBRRKI-UHFFFAOYSA-N 1 2 299.321 2.984 20 5 CFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593065227 349200592 /nfs/dbraw/zinc/20/05/92/349200592.db2.gz ZYGDAMZGCXXZMF-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593065227 349200595 /nfs/dbraw/zinc/20/05/95/349200595.db2.gz ZYGDAMZGCXXZMF-SMDDNHRTSA-N 1 2 294.351 2.603 20 5 CFBDLO CCCn1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000596979814 350011621 /nfs/dbraw/zinc/01/16/21/350011621.db2.gz PQUAVBPNMBOINW-UHFFFAOYSA-N 1 2 288.351 2.833 20 5 CFBDLO CCCn1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000596979814 350011625 /nfs/dbraw/zinc/01/16/25/350011625.db2.gz PQUAVBPNMBOINW-UHFFFAOYSA-N 1 2 288.351 2.833 20 5 CFBDLO CC[C@@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056085 350367524 /nfs/dbraw/zinc/36/75/24/350367524.db2.gz JJIZPOGLNIWSEO-LLVKDONJSA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@@H](CCCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599063097 350368147 /nfs/dbraw/zinc/36/81/47/350368147.db2.gz WMVWKHIFAQMPKI-JTQLQIEISA-N 1 2 275.308 2.716 20 5 CFBDLO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599018838 350359605 /nfs/dbraw/zinc/35/96/05/350359605.db2.gz NSTPCVMKQXRIHD-LBPRGKRZSA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1c(N[C@@H]2CCCOC2)ccc2c[nH+]ccc21 ZINC000599039002 350363077 /nfs/dbraw/zinc/36/30/77/350363077.db2.gz FXVABOMOBWUZPV-LLVKDONJSA-N 1 2 273.292 2.734 20 5 CFBDLO CC[C@@H](C)[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043487 350363379 /nfs/dbraw/zinc/36/33/79/350363379.db2.gz MXUFTRAVFVXEQQ-QMTHXVAHSA-N 1 2 289.335 2.962 20 5 CFBDLO CCC[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044937 350364243 /nfs/dbraw/zinc/36/42/43/350364243.db2.gz VMKXYUZPPVFZGM-LLVKDONJSA-N 1 2 275.308 2.716 20 5 CFBDLO COC[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599046450 350365197 /nfs/dbraw/zinc/36/51/97/350365197.db2.gz JNBLIGUXOXICQK-LLVKDONJSA-N 1 2 287.319 2.616 20 5 CFBDLO O=[N+]([O-])c1c(NCCCCCO)ccc2c[nH+]ccc21 ZINC000599076091 350371731 /nfs/dbraw/zinc/37/17/31/350371731.db2.gz BUMGPLYWJGWCSE-UHFFFAOYSA-N 1 2 275.308 2.718 20 5 CFBDLO COc1ccc[nH+]c1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000599083525 350372681 /nfs/dbraw/zinc/37/26/81/350372681.db2.gz YJWPPOULMSCBBV-UHFFFAOYSA-N 1 2 287.319 2.677 20 5 CFBDLO CO[C@@H](C)CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599083535 350372697 /nfs/dbraw/zinc/37/26/97/350372697.db2.gz YUSOQPAGFUBTFX-JTQLQIEISA-N 1 2 275.308 2.614 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](F)C1 ZINC000599083425 350372749 /nfs/dbraw/zinc/37/27/49/350372749.db2.gz LROVDDMZLAZIBX-JTQLQIEISA-N 1 2 261.256 2.691 20 5 CFBDLO CC(C)[C@@H](CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085234 350373347 /nfs/dbraw/zinc/37/33/47/350373347.db2.gz NGNLCALABVPCDG-GFCCVEGCSA-N 1 2 289.335 2.819 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641004 350471123 /nfs/dbraw/zinc/47/11/23/350471123.db2.gz GJOSFRQGVXPHTE-SMDDNHRTSA-N 1 2 282.315 2.716 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCF)C1 ZINC000599641004 350471127 /nfs/dbraw/zinc/47/11/27/350471127.db2.gz GJOSFRQGVXPHTE-SMDDNHRTSA-N 1 2 282.315 2.716 20 5 CFBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC4(CC(F)C4)C3)nc2c1 ZINC000602688010 350979295 /nfs/dbraw/zinc/97/92/95/350979295.db2.gz GJIQJXPUVUKANT-UHFFFAOYSA-N 1 2 291.282 2.670 20 5 CFBDLO O=[N+]([O-])c1sccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276388 351547106 /nfs/dbraw/zinc/54/71/06/351547106.db2.gz SKFAVLYREAVTPX-SNVBAGLBSA-N 1 2 278.337 2.694 20 5 CFBDLO C[N@H+](Cc1ccc[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582352 351583555 /nfs/dbraw/zinc/58/35/55/351583555.db2.gz YCFIRKSIKHYKNR-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO C[N@@H+](Cc1ccc[nH]1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582352 351583561 /nfs/dbraw/zinc/58/35/61/351583561.db2.gz YCFIRKSIKHYKNR-UHFFFAOYSA-N 1 2 286.291 2.696 20 5 CFBDLO C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000610726421 351598702 /nfs/dbraw/zinc/59/87/02/351598702.db2.gz IDVBLBPSLLFDAI-ZYHUDNBSSA-N 1 2 292.364 2.940 20 5 CFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179685 351648650 /nfs/dbraw/zinc/64/86/50/351648650.db2.gz HMCUTCNVLWSWGQ-UHFFFAOYSA-N 1 2 286.253 2.965 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000611413406 351687042 /nfs/dbraw/zinc/68/70/42/351687042.db2.gz PANJZYJDLYAZCC-UHFFFAOYSA-N 1 2 278.337 2.763 20 5 CFBDLO O=[N+]([O-])c1ccsc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000611413406 351687044 /nfs/dbraw/zinc/68/70/44/351687044.db2.gz PANJZYJDLYAZCC-UHFFFAOYSA-N 1 2 278.337 2.763 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501498 351698597 /nfs/dbraw/zinc/69/85/97/351698597.db2.gz CZRMDESQXRVBLV-ZYHUDNBSSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501498 351698599 /nfs/dbraw/zinc/69/85/99/351698599.db2.gz CZRMDESQXRVBLV-ZYHUDNBSSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000611502387 351699335 /nfs/dbraw/zinc/69/93/35/351699335.db2.gz RWRSIGGSDKHZTN-RNCFNFMXSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1F ZINC000611502387 351699338 /nfs/dbraw/zinc/69/93/38/351699338.db2.gz RWRSIGGSDKHZTN-RNCFNFMXSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611502855 351700546 /nfs/dbraw/zinc/70/05/46/351700546.db2.gz ZKINTSXGAVCZAI-MFKMUULPSA-N 1 2 252.289 2.775 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611502855 351700549 /nfs/dbraw/zinc/70/05/49/351700549.db2.gz ZKINTSXGAVCZAI-MFKMUULPSA-N 1 2 252.289 2.775 20 5 CFBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516988 351702498 /nfs/dbraw/zinc/70/24/98/351702498.db2.gz RFZQIJWLPMZKTE-CMPLNLGQSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000611516988 351702503 /nfs/dbraw/zinc/70/25/03/351702503.db2.gz RFZQIJWLPMZKTE-CMPLNLGQSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000619531734 353033416 /nfs/dbraw/zinc/03/34/16/353033416.db2.gz XABXAFJSFYYXLL-GWCFXTLKSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000619531734 353033420 /nfs/dbraw/zinc/03/34/20/353033420.db2.gz XABXAFJSFYYXLL-GWCFXTLKSA-N 1 2 282.315 2.783 20 5 CFBDLO Cc1ccc[nH+]c1CCCNc1ccc([N+](=O)[O-])cn1 ZINC000294883866 199230804 /nfs/dbraw/zinc/23/08/04/199230804.db2.gz CFTRWQCZVNMFNH-UHFFFAOYSA-N 1 2 272.308 2.738 20 5 CFBDLO Cc1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000275387659 193018036 /nfs/dbraw/zinc/01/80/36/193018036.db2.gz CEASUZMHCPCMOO-CYBMUJFWSA-N 1 2 298.346 2.989 20 5 CFBDLO CO[C@H](C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339003208 294269165 /nfs/dbraw/zinc/26/91/65/294269165.db2.gz GJNCMLAJXPZYDW-LLVKDONJSA-N 1 2 282.340 2.546 20 5 CFBDLO CO[C@H](C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339003208 294269166 /nfs/dbraw/zinc/26/91/66/294269166.db2.gz GJNCMLAJXPZYDW-LLVKDONJSA-N 1 2 282.340 2.546 20 5 CFBDLO CCOC1(C)C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000459614635 245241920 /nfs/dbraw/zinc/24/19/20/245241920.db2.gz DYBVZZAZJULXRY-UHFFFAOYSA-N 1 2 264.325 2.514 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000065426290 373871417 /nfs/dbraw/zinc/87/14/17/373871417.db2.gz BDIMVRMJPNRMMZ-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000065426290 373871426 /nfs/dbraw/zinc/87/14/26/373871426.db2.gz BDIMVRMJPNRMMZ-LLVKDONJSA-N 1 2 264.325 2.594 20 5 CFBDLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000070445349 374177371 /nfs/dbraw/zinc/17/73/71/374177371.db2.gz YBVOTOSFWKMJCG-SNVBAGLBSA-N 1 2 260.297 2.810 20 5 CFBDLO CCC[N@H+](CC(=O)OCC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092380395 375103112 /nfs/dbraw/zinc/10/31/12/375103112.db2.gz KCFMBZJYKZRGAI-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092380395 375103119 /nfs/dbraw/zinc/10/31/19/375103119.db2.gz KCFMBZJYKZRGAI-UHFFFAOYSA-N 1 2 294.351 2.678 20 5 CFBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093417822 375231408 /nfs/dbraw/zinc/23/14/08/375231408.db2.gz CWJWZZUOVJMMCJ-JOVKLMRISA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1[C@H](C)OCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093417822 375231412 /nfs/dbraw/zinc/23/14/12/375231412.db2.gz CWJWZZUOVJMMCJ-JOVKLMRISA-N 1 2 276.336 2.717 20 5 CFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093773024 375311149 /nfs/dbraw/zinc/31/11/49/375311149.db2.gz GNEGHDRFGXZRAT-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093773024 375311154 /nfs/dbraw/zinc/31/11/54/375311154.db2.gz GNEGHDRFGXZRAT-LBPRGKRZSA-N 1 2 294.351 2.675 20 5 CFBDLO CCC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000093508630 375257842 /nfs/dbraw/zinc/25/78/42/375257842.db2.gz FAMQHSFIDCRLBD-AWEZNQCLSA-N 1 2 278.352 2.904 20 5 CFBDLO CCC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000093508630 375257845 /nfs/dbraw/zinc/25/78/45/375257845.db2.gz FAMQHSFIDCRLBD-AWEZNQCLSA-N 1 2 278.352 2.904 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCC2)C1 ZINC000154147923 296234368 /nfs/dbraw/zinc/23/43/68/296234368.db2.gz JYDYUZOCFUPLQN-LBPRGKRZSA-N 1 2 276.336 2.911 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC2(CCC2)C1 ZINC000154147923 296234371 /nfs/dbraw/zinc/23/43/71/296234371.db2.gz JYDYUZOCFUPLQN-LBPRGKRZSA-N 1 2 276.336 2.911 20 5 CFBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000103487649 375751759 /nfs/dbraw/zinc/75/17/59/375751759.db2.gz MEDACKOQZJDIHT-UHFFFAOYSA-N 1 2 274.267 2.561 20 5 CFBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000103487649 375751762 /nfs/dbraw/zinc/75/17/62/375751762.db2.gz MEDACKOQZJDIHT-UHFFFAOYSA-N 1 2 274.267 2.561 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC(C)(C)C1 ZINC000330618007 296234418 /nfs/dbraw/zinc/23/44/18/296234418.db2.gz XDETXPZUHRFMDK-NSHDSACASA-N 1 2 264.325 2.767 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC(C)(C)C1 ZINC000330618007 296234421 /nfs/dbraw/zinc/23/44/21/296234421.db2.gz XDETXPZUHRFMDK-NSHDSACASA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1cccc(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000129643742 377455481 /nfs/dbraw/zinc/45/54/81/377455481.db2.gz WIGYHLIZIHTAEF-UHFFFAOYSA-N 1 2 284.319 2.917 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccon2)C2CC2)cc1 ZINC000130735362 377602464 /nfs/dbraw/zinc/60/24/64/377602464.db2.gz VUGBBSAVJKSRGV-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccon2)C2CC2)cc1 ZINC000130735362 377602475 /nfs/dbraw/zinc/60/24/75/377602475.db2.gz VUGBBSAVJKSRGV-UHFFFAOYSA-N 1 2 273.292 2.747 20 5 CFBDLO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(F)F ZINC000135399492 378128524 /nfs/dbraw/zinc/12/85/24/378128524.db2.gz PPUYQWZDIKKVTA-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC(C)[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(F)F ZINC000135399492 378128529 /nfs/dbraw/zinc/12/85/29/378128529.db2.gz PPUYQWZDIKKVTA-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140492251 378238955 /nfs/dbraw/zinc/23/89/55/378238955.db2.gz BRLBCDCPHIMJDV-LBPRGKRZSA-N 1 2 288.307 2.507 20 5 CFBDLO CSC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330444189 378557306 /nfs/dbraw/zinc/55/73/06/378557306.db2.gz GJOBZKCBSGQWBM-NSHDSACASA-N 1 2 296.392 2.875 20 5 CFBDLO CSC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330444189 378557312 /nfs/dbraw/zinc/55/73/12/378557312.db2.gz GJOBZKCBSGQWBM-NSHDSACASA-N 1 2 296.392 2.875 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457494 378560816 /nfs/dbraw/zinc/56/08/16/378560816.db2.gz QLHCKIRBPOVQKU-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457494 378560824 /nfs/dbraw/zinc/56/08/24/378560824.db2.gz QLHCKIRBPOVQKU-SNVBAGLBSA-N 1 2 264.325 2.921 20 5 CFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331160046 378641928 /nfs/dbraw/zinc/64/19/28/378641928.db2.gz KQYUSWHCWPBPKV-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331160046 378641933 /nfs/dbraw/zinc/64/19/33/378641933.db2.gz KQYUSWHCWPBPKV-CYBMUJFWSA-N 1 2 294.351 2.604 20 5 CFBDLO C[N@H+](Cc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000175049487 379984636 /nfs/dbraw/zinc/98/46/36/379984636.db2.gz VRQAOUDFRNXWNJ-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[N@@H+](Cc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000175049487 379984641 /nfs/dbraw/zinc/98/46/41/379984641.db2.gz VRQAOUDFRNXWNJ-UHFFFAOYSA-N 1 2 263.322 2.683 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000341169418 380812794 /nfs/dbraw/zinc/81/27/94/380812794.db2.gz WZOXORTWDZFVBZ-LDYMZIIASA-N 1 2 292.257 2.511 20 5 CFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000341169418 380812800 /nfs/dbraw/zinc/81/28/00/380812800.db2.gz WZOXORTWDZFVBZ-LDYMZIIASA-N 1 2 292.257 2.511 20 5 CFBDLO COc1cc[nH+]cc1COc1ccccc1[N+](=O)[O-] ZINC000341182102 380819586 /nfs/dbraw/zinc/81/95/86/380819586.db2.gz VEXJJRDYAKVLDE-UHFFFAOYSA-N 1 2 260.249 2.577 20 5 CFBDLO CC(C)[N@H+](Cc1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000295415798 380838530 /nfs/dbraw/zinc/83/85/30/380838530.db2.gz DOKODXFHAQVINQ-UHFFFAOYSA-N 1 2 292.364 2.857 20 5 CFBDLO CC(C)[N@@H+](Cc1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000295415798 380838536 /nfs/dbraw/zinc/83/85/36/380838536.db2.gz DOKODXFHAQVINQ-UHFFFAOYSA-N 1 2 292.364 2.857 20 5 CFBDLO Cc1c[nH+]c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000341347143 380954838 /nfs/dbraw/zinc/95/48/38/380954838.db2.gz KAFDGBHFETZLMW-GFCCVEGCSA-N 1 2 288.351 2.796 20 5 CFBDLO CC[C@H](NCc1[nH+]cc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000341371157 380971956 /nfs/dbraw/zinc/97/19/56/380971956.db2.gz ZPFGHANPECZARX-AWEZNQCLSA-N 1 2 288.351 2.878 20 5 CFBDLO Cc1c(C[N@@H+]2CCO[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411872981 381043014 /nfs/dbraw/zinc/04/30/14/381043014.db2.gz KPFZNKATJMNIOB-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1c(C[N@H+]2CCO[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000411872981 381043022 /nfs/dbraw/zinc/04/30/22/381043022.db2.gz KPFZNKATJMNIOB-INIZCTEOSA-N 1 2 290.363 2.904 20 5 CFBDLO C[C@@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347343809 381085911 /nfs/dbraw/zinc/08/59/11/381085911.db2.gz HIAQUGATTVFYIY-GFCCVEGCSA-N 1 2 256.252 2.668 20 5 CFBDLO C[C@@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000347343809 381085919 /nfs/dbraw/zinc/08/59/19/381085919.db2.gz HIAQUGATTVFYIY-GFCCVEGCSA-N 1 2 256.252 2.668 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000341589394 381107097 /nfs/dbraw/zinc/10/70/97/381107097.db2.gz LSXGVDHVMSOZAN-LLVKDONJSA-N 1 2 272.308 2.544 20 5 CFBDLO Cc1cc(NCC2(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359011696 381214639 /nfs/dbraw/zinc/21/46/39/381214639.db2.gz BKSGTKHQCHXBHT-UHFFFAOYSA-N 1 2 298.346 2.994 20 5 CFBDLO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000183178717 381226953 /nfs/dbraw/zinc/22/69/53/381226953.db2.gz LXXKMMFHXHUGRE-LBPRGKRZSA-N 1 2 274.324 2.569 20 5 CFBDLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000342311581 381270053 /nfs/dbraw/zinc/27/00/53/381270053.db2.gz ILSDRDLYVHHKCA-GFCCVEGCSA-N 1 2 286.335 2.852 20 5 CFBDLO Cc1[nH]c2ccc(COc3cccnc3[N+](=O)[O-])cc2[nH+]1 ZINC000342685459 381478460 /nfs/dbraw/zinc/47/84/60/381478460.db2.gz IIDKFXKSHWQPPD-UHFFFAOYSA-N 1 2 284.275 2.754 20 5 CFBDLO Cc1[nH]c2cc(COc3cccnc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342685459 381478467 /nfs/dbraw/zinc/47/84/67/381478467.db2.gz IIDKFXKSHWQPPD-UHFFFAOYSA-N 1 2 284.275 2.754 20 5 CFBDLO COc1cc(CNc2c[nH+]ccc2C)c([N+](=O)[O-])cc1O ZINC000184891159 381493383 /nfs/dbraw/zinc/49/33/83/381493383.db2.gz KVMFDIZQAHFZDK-UHFFFAOYSA-N 1 2 289.291 2.625 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000374781684 382055510 /nfs/dbraw/zinc/05/55/10/382055510.db2.gz OIHTVMOOGFXTJG-GFCCVEGCSA-N 1 2 276.271 2.799 20 5 CFBDLO Cc1ccc(CCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000301226253 382110658 /nfs/dbraw/zinc/11/06/58/382110658.db2.gz BTPVSYUJUXSOPD-UHFFFAOYSA-N 1 2 257.293 2.953 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970640 382099495 /nfs/dbraw/zinc/09/94/95/382099495.db2.gz GOOYAMXHKCKSCR-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970640 382099501 /nfs/dbraw/zinc/09/95/01/382099501.db2.gz GOOYAMXHKCKSCR-WCQYABFASA-N 1 2 294.351 2.603 20 5 CFBDLO Cc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000302523792 382262885 /nfs/dbraw/zinc/26/28/85/382262885.db2.gz YXARQDOTLGEDCQ-AWEZNQCLSA-N 1 2 299.330 2.956 20 5 CFBDLO Cn1cccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352618447 382420755 /nfs/dbraw/zinc/42/07/55/382420755.db2.gz QNNVDXDALUYRMH-UHFFFAOYSA-N 1 2 277.299 2.704 20 5 CFBDLO Cn1cccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352618447 382420759 /nfs/dbraw/zinc/42/07/59/382420759.db2.gz QNNVDXDALUYRMH-UHFFFAOYSA-N 1 2 277.299 2.704 20 5 CFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccncc1F ZINC000337945984 382876197 /nfs/dbraw/zinc/87/61/97/382876197.db2.gz FSDNFCPQUFWZJI-SECBINFHSA-N 1 2 291.282 2.685 20 5 CFBDLO C[C@@H](c1ccco1)[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000440905136 382887785 /nfs/dbraw/zinc/88/77/85/382887785.db2.gz OWRTVXCITZYMFR-JTQLQIEISA-N 1 2 290.323 2.647 20 5 CFBDLO C[C@@H](c1ccco1)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000440905136 382887786 /nfs/dbraw/zinc/88/77/86/382887786.db2.gz OWRTVXCITZYMFR-JTQLQIEISA-N 1 2 290.323 2.647 20 5 CFBDLO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000245562755 383008396 /nfs/dbraw/zinc/00/83/96/383008396.db2.gz PIBLEOVYBIGYGH-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO CC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000245562755 383008401 /nfs/dbraw/zinc/00/84/01/383008401.db2.gz PIBLEOVYBIGYGH-OCCSQVGLSA-N 1 2 278.352 2.903 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000339026679 383124956 /nfs/dbraw/zinc/12/49/56/383124956.db2.gz NLEHDPHMHTUMDO-HNNXBMFYSA-N 1 2 287.319 2.966 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000339026679 383124959 /nfs/dbraw/zinc/12/49/59/383124959.db2.gz NLEHDPHMHTUMDO-HNNXBMFYSA-N 1 2 287.319 2.966 20 5 CFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccn1 ZINC000339082600 383142707 /nfs/dbraw/zinc/14/27/07/383142707.db2.gz VRNSLKSQXZLGIG-JTQLQIEISA-N 1 2 273.292 2.546 20 5 CFBDLO CCc1noc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000339436192 383196674 /nfs/dbraw/zinc/19/66/74/383196674.db2.gz FURDFZMROWOEGK-UHFFFAOYSA-N 1 2 293.298 2.883 20 5 CFBDLO CCc1nocc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000339608899 383261028 /nfs/dbraw/zinc/26/10/28/383261028.db2.gz TYFFGVLFGNFHHO-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO CCc1nocc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000339608899 383261033 /nfs/dbraw/zinc/26/10/33/383261033.db2.gz TYFFGVLFGNFHHO-UHFFFAOYSA-N 1 2 275.308 2.777 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000567311762 383261468 /nfs/dbraw/zinc/26/14/68/383261468.db2.gz RVDRGQZQWGDWDU-UHFFFAOYSA-N 1 2 260.215 2.589 20 5 CFBDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000519540719 383223367 /nfs/dbraw/zinc/22/33/67/383223367.db2.gz CEKQTGAHGPKPJQ-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000519540719 383223373 /nfs/dbraw/zinc/22/33/73/383223373.db2.gz CEKQTGAHGPKPJQ-SNVBAGLBSA-N 1 2 290.323 2.788 20 5 CFBDLO Cc1nc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000450831724 383510645 /nfs/dbraw/zinc/51/06/45/383510645.db2.gz PVRIHSXDAISEIW-PSASIEDQSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1nn(C)c(Nc2ccc([NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC000265144885 383843396 /nfs/dbraw/zinc/84/33/96/383843396.db2.gz RGTRTPRQWAJUSM-UHFFFAOYSA-N 1 2 289.339 2.755 20 5 CFBDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000265476978 383927969 /nfs/dbraw/zinc/92/79/69/383927969.db2.gz BGXJIOGYKMUMBV-SECBINFHSA-N 1 2 295.730 2.588 20 5 CFBDLO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330673684 296357010 /nfs/dbraw/zinc/35/70/10/296357010.db2.gz YSOYDUXBUQUDBH-ZWNOBZJWSA-N 1 2 264.325 2.969 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353365 383990269 /nfs/dbraw/zinc/99/02/69/383990269.db2.gz DLLASZCSLXQUHI-AVGNSLFASA-N 1 2 278.352 2.901 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000438353365 383990277 /nfs/dbraw/zinc/99/02/77/383990277.db2.gz DLLASZCSLXQUHI-AVGNSLFASA-N 1 2 278.352 2.901 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000574882792 384159353 /nfs/dbraw/zinc/15/93/53/384159353.db2.gz WFIYFJQMYKAOIX-GFCCVEGCSA-N 1 2 282.315 2.927 20 5 CFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](F)C1 ZINC000574882792 384159360 /nfs/dbraw/zinc/15/93/60/384159360.db2.gz WFIYFJQMYKAOIX-GFCCVEGCSA-N 1 2 282.315 2.927 20 5 CFBDLO C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268216497 384569628 /nfs/dbraw/zinc/56/96/28/384569628.db2.gz BIBIAUQFFCGOSD-SWLSCSKDSA-N 1 2 286.335 2.879 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279240350 384610574 /nfs/dbraw/zinc/61/05/74/384610574.db2.gz FXFZWMILTDIIIZ-IAQYHMDHSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279240350 384610582 /nfs/dbraw/zinc/61/05/82/384610582.db2.gz FXFZWMILTDIIIZ-IAQYHMDHSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279368342 384616347 /nfs/dbraw/zinc/61/63/47/384616347.db2.gz RNQDVSWCGXKPCF-CABZTGNLSA-N 1 2 282.365 2.656 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H](C2CC2)O1 ZINC000279368342 384616354 /nfs/dbraw/zinc/61/63/54/384616354.db2.gz RNQDVSWCGXKPCF-CABZTGNLSA-N 1 2 282.365 2.656 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C2CC2)O1 ZINC000279382832 384619904 /nfs/dbraw/zinc/61/99/04/384619904.db2.gz SXBVOTRRNDVWMF-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C2CC2)O1 ZINC000279382832 384619911 /nfs/dbraw/zinc/61/99/11/384619911.db2.gz SXBVOTRRNDVWMF-BMIGLBTASA-N 1 2 294.326 2.733 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cncc(F)c1)CC2 ZINC000347028838 285142589 /nfs/dbraw/zinc/14/25/89/285142589.db2.gz HAOAODSAKHEJIY-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cncc(F)c1)CC2 ZINC000347028838 285142590 /nfs/dbraw/zinc/14/25/90/285142590.db2.gz HAOAODSAKHEJIY-UHFFFAOYSA-N 1 2 287.294 2.687 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000271131048 385345362 /nfs/dbraw/zinc/34/53/62/385345362.db2.gz PVETTZNMOWZHJH-UKRRQHHQSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000271131048 385345366 /nfs/dbraw/zinc/34/53/66/385345366.db2.gz PVETTZNMOWZHJH-UKRRQHHQSA-N 1 2 276.336 2.657 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC000283082163 385433662 /nfs/dbraw/zinc/43/36/62/385433662.db2.gz KSQMPLHJFHMVIM-SSDOTTSWSA-N 1 2 296.327 2.745 20 5 CFBDLO Cc1cccc(CCCNc2cc(N)ccc2[N+](=O)[O-])[nH+]1 ZINC000286119954 385561007 /nfs/dbraw/zinc/56/10/07/385561007.db2.gz AGYNLWZMHPBDAD-UHFFFAOYSA-N 1 2 286.335 2.925 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000276537585 385989702 /nfs/dbraw/zinc/98/97/02/385989702.db2.gz ILOSYEANIUFTCW-VXGBXAGGSA-N 1 2 276.336 2.875 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000276537585 385989706 /nfs/dbraw/zinc/98/97/06/385989706.db2.gz ILOSYEANIUFTCW-VXGBXAGGSA-N 1 2 276.336 2.875 20 5 CFBDLO COC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184552825 285238987 /nfs/dbraw/zinc/23/89/87/285238987.db2.gz VWOXQSNCCVELNY-GFCCVEGCSA-N 1 2 276.292 2.665 20 5 CFBDLO C[C@@H]([NH2+]Cc1nc(C(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000425458464 533469508 /nfs/dbraw/zinc/46/95/08/533469508.db2.gz MGQGURBDXWRSQB-SSDOTTSWSA-N 1 2 298.249 2.766 20 5 CFBDLO COc1cccc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000357437041 130469932 /nfs/dbraw/zinc/46/99/32/130469932.db2.gz KGCRCTLHRZKYET-UHFFFAOYSA-N 1 2 298.302 2.863 20 5 CFBDLO CCc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000049591298 393612212 /nfs/dbraw/zinc/61/22/12/393612212.db2.gz IIFOMSXVEVPWEM-UHFFFAOYSA-N 1 2 277.349 2.904 20 5 CFBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000051151168 393616443 /nfs/dbraw/zinc/61/64/43/393616443.db2.gz NSMUZYQXMGOJDC-UHFFFAOYSA-N 1 2 298.346 2.625 20 5 CFBDLO Cc1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c(C)[nH+]1 ZINC000195048830 393729628 /nfs/dbraw/zinc/72/96/28/393729628.db2.gz MWKGDSJMSBKNDV-UHFFFAOYSA-N 1 2 272.308 2.729 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424320032 393826595 /nfs/dbraw/zinc/82/65/95/393826595.db2.gz IPASNMYXAWDFMY-KGLIPLIRSA-N 1 2 298.346 2.560 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCCCO)C1CC1 ZINC000119220654 393915966 /nfs/dbraw/zinc/91/59/66/393915966.db2.gz KEXDEBQCIZAQBC-UHFFFAOYSA-N 1 2 298.770 2.985 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCCCO)C1CC1 ZINC000119220654 393915969 /nfs/dbraw/zinc/91/59/69/393915969.db2.gz KEXDEBQCIZAQBC-UHFFFAOYSA-N 1 2 298.770 2.985 20 5 CFBDLO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000121591911 393957427 /nfs/dbraw/zinc/95/74/27/393957427.db2.gz IROZPDDYHHMLGY-UHFFFAOYSA-N 1 2 285.303 2.788 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000430195644 393966191 /nfs/dbraw/zinc/96/61/91/393966191.db2.gz OUTGKIXJIPVJOG-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000430195644 393966194 /nfs/dbraw/zinc/96/61/94/393966194.db2.gz OUTGKIXJIPVJOG-SDDRHHMPSA-N 1 2 294.351 2.601 20 5 CFBDLO C[C@]1(F)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449350785 394273091 /nfs/dbraw/zinc/27/30/91/394273091.db2.gz NJIGTZLMGXCHHW-ZDUSSCGKSA-N 1 2 268.288 2.624 20 5 CFBDLO C[C@]1(F)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449350785 394273095 /nfs/dbraw/zinc/27/30/95/394273095.db2.gz NJIGTZLMGXCHHW-ZDUSSCGKSA-N 1 2 268.288 2.624 20 5 CFBDLO Cc1cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450828092 394340769 /nfs/dbraw/zinc/34/07/69/394340769.db2.gz JRDKKSZTQANHAB-UWVGGRQHSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450825918 394340807 /nfs/dbraw/zinc/34/08/07/394340807.db2.gz FXXFPZSNBSFYGV-GXSJLCMTSA-N 1 2 273.296 2.613 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000450831757 394341427 /nfs/dbraw/zinc/34/14/27/394341427.db2.gz QAVJJDZCORRGKH-WDEREUQCSA-N 1 2 287.323 2.921 20 5 CFBDLO O=[N+]([O-])c1cccc(Cl)c1N1CC[NH+](C2CC2)CC1 ZINC000292446023 296510906 /nfs/dbraw/zinc/51/09/06/296510906.db2.gz IFNODCGSIWXMEH-UHFFFAOYSA-N 1 2 281.743 2.533 20 5 CFBDLO Cc1nc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301664157 397638912 /nfs/dbraw/zinc/63/89/12/397638912.db2.gz VVNSPWDMTOASHN-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375005104 157181702 /nfs/dbraw/zinc/18/17/02/157181702.db2.gz PTMMEJMBQHTYPI-CYBMUJFWSA-N 1 2 290.298 2.794 20 5 CFBDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000345350562 162233993 /nfs/dbraw/zinc/23/39/93/162233993.db2.gz HVLUYBYGFXLPMH-ZWNOBZJWSA-N 1 2 272.308 2.587 20 5 CFBDLO Cc1cc(N)nc(SCc2c(F)cccc2[N+](=O)[O-])[nH+]1 ZINC000349009319 162930129 /nfs/dbraw/zinc/93/01/29/162930129.db2.gz RDBQWOZIXQOHKH-UHFFFAOYSA-N 1 2 294.311 2.537 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccon1 ZINC000351579472 163151371 /nfs/dbraw/zinc/15/13/71/163151371.db2.gz JQYRSBARKTZGEI-SNVBAGLBSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1ncsc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353284793 163336867 /nfs/dbraw/zinc/33/68/67/163336867.db2.gz GBYHMFPHLYMCCS-UHFFFAOYSA-N 1 2 293.348 2.697 20 5 CFBDLO Cc1ncsc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353284793 163336870 /nfs/dbraw/zinc/33/68/70/163336870.db2.gz GBYHMFPHLYMCCS-UHFFFAOYSA-N 1 2 293.348 2.697 20 5 CFBDLO CCc1cc(NCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040765151 174397909 /nfs/dbraw/zinc/39/79/09/174397909.db2.gz HDBZYMZTOZDQLY-UHFFFAOYSA-N 1 2 258.281 2.559 20 5 CFBDLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456459 287300672 /nfs/dbraw/zinc/30/06/72/287300672.db2.gz PDMCQCPKCKCWAM-CMPLNLGQSA-N 1 2 264.325 2.921 20 5 CFBDLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456459 287300673 /nfs/dbraw/zinc/30/06/73/287300673.db2.gz PDMCQCPKCKCWAM-CMPLNLGQSA-N 1 2 264.325 2.921 20 5 CFBDLO Cc1cc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000179802344 260071911 /nfs/dbraw/zinc/07/19/11/260071911.db2.gz UBFMICQOXUVEMD-UHFFFAOYSA-N 1 2 286.291 2.620 20 5 CFBDLO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000391884401 265024723 /nfs/dbraw/zinc/02/47/23/265024723.db2.gz XNVJMIGJFCSAFC-MFKMUULPSA-N 1 2 289.339 2.525 20 5 CFBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000122788990 279376177 /nfs/dbraw/zinc/37/61/77/279376177.db2.gz BGHLPFYNNFKKPZ-AWEZNQCLSA-N 1 2 286.335 2.569 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421030106 280358127 /nfs/dbraw/zinc/35/81/27/280358127.db2.gz YHFIVULLGPOYAW-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421030106 280358129 /nfs/dbraw/zinc/35/81/29/280358129.db2.gz YHFIVULLGPOYAW-ZDUSSCGKSA-N 1 2 282.727 2.613 20 5 CFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(N)c2F)c[nH+]1 ZINC000548449178 281785534 /nfs/dbraw/zinc/78/55/34/281785534.db2.gz ZEOGAQQSZXIJLW-UHFFFAOYSA-N 1 2 290.298 2.674 20 5 CFBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1c[nH]c[nH+]1 ZINC000561411817 282054517 /nfs/dbraw/zinc/05/45/17/282054517.db2.gz QKUATYAVHFXELW-YHYXMXQVSA-N 1 2 258.281 2.833 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083373 290101609 /nfs/dbraw/zinc/10/16/09/290101609.db2.gz JELAXKOQNGFGLV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563083373 290101613 /nfs/dbraw/zinc/10/16/13/290101613.db2.gz JELAXKOQNGFGLV-OAHLLOKOSA-N 1 2 276.336 2.596 20 5 CFBDLO C[N@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000192639988 324062075 /nfs/dbraw/zinc/06/20/75/324062075.db2.gz FCHCBVGVRMFOLI-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO C[N@@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000192639988 324062079 /nfs/dbraw/zinc/06/20/79/324062079.db2.gz FCHCBVGVRMFOLI-UHFFFAOYSA-N 1 2 257.293 2.622 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579958121 324994328 /nfs/dbraw/zinc/99/43/28/324994328.db2.gz RVFFXKTXUWSIGM-LLVKDONJSA-N 1 2 288.307 2.690 20 5 CFBDLO Cc1cc(N[C@H]2CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581029447 325084518 /nfs/dbraw/zinc/08/45/18/325084518.db2.gz YOYBCSLESXHAKQ-HZMBPMFUSA-N 1 2 298.346 2.993 20 5 CFBDLO Cc1ccc(CCNc2nccc(C)c2[N+](=O)[O-])[nH+]c1 ZINC000413359985 533809748 /nfs/dbraw/zinc/80/97/48/533809748.db2.gz YFOJJIPDXPMNTG-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000414369890 533902225 /nfs/dbraw/zinc/90/22/25/533902225.db2.gz KFDMKXCXRVJQRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000414369890 533902232 /nfs/dbraw/zinc/90/22/32/533902232.db2.gz KFDMKXCXRVJQRT-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414476664 533938565 /nfs/dbraw/zinc/93/85/65/533938565.db2.gz XZFKILGHAXMYEQ-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000414476664 533938571 /nfs/dbraw/zinc/93/85/71/533938571.db2.gz XZFKILGHAXMYEQ-MRXNPFEDSA-N 1 2 290.363 2.904 20 5 CFBDLO CCn1ccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000051923695 523539391 /nfs/dbraw/zinc/53/93/91/523539391.db2.gz SMWJMDYNCSTUMO-NSHDSACASA-N 1 2 274.324 2.662 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCF)c2c1 ZINC000413308803 534884380 /nfs/dbraw/zinc/88/43/80/534884380.db2.gz KMZISJZXLWTPGB-UHFFFAOYSA-N 1 2 263.272 2.727 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CC[C@H](O)C3)c2c1 ZINC000413260136 534884718 /nfs/dbraw/zinc/88/47/18/534884718.db2.gz IXPDTPGNNDOOAA-MFKMUULPSA-N 1 2 287.319 2.716 20 5 CFBDLO C[C@@H]1COCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385255 574092840 /nfs/dbraw/zinc/09/28/40/574092840.db2.gz BUTDBNQRQALVHI-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO C[C@@H]1COCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385255 574092843 /nfs/dbraw/zinc/09/28/43/574092843.db2.gz BUTDBNQRQALVHI-JTQLQIEISA-N 1 2 284.743 2.717 20 5 CFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000728566475 574100255 /nfs/dbraw/zinc/10/02/55/574100255.db2.gz GLNJNHKPWSFWPI-GFCCVEGCSA-N 1 2 290.298 2.772 20 5 CFBDLO CCC[N@@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746037017 574131625 /nfs/dbraw/zinc/13/16/25/574131625.db2.gz BHVGVZAJAIRAIX-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO CCC[N@H+](Cc1ccccc1F)Cn1cc([N+](=O)[O-])cn1 ZINC000746037017 574131628 /nfs/dbraw/zinc/13/16/28/574131628.db2.gz BHVGVZAJAIRAIX-UHFFFAOYSA-N 1 2 292.314 2.800 20 5 CFBDLO CC[N@@H+](Cc1ccc(C)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746028237 574131671 /nfs/dbraw/zinc/13/16/71/574131671.db2.gz HBRIJZCPMUYUAP-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC[N@H+](Cc1ccc(C)cc1)Cn1nccc1[N+](=O)[O-] ZINC000746028237 574131673 /nfs/dbraw/zinc/13/16/73/574131673.db2.gz HBRIJZCPMUYUAP-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC[N@@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746028206 574131855 /nfs/dbraw/zinc/13/18/55/574131855.db2.gz GZCCGNVQJBIARD-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO CC[N@H+](Cc1ccc(C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746028206 574131857 /nfs/dbraw/zinc/13/18/57/574131857.db2.gz GZCCGNVQJBIARD-UHFFFAOYSA-N 1 2 274.324 2.579 20 5 CFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000747216633 574187382 /nfs/dbraw/zinc/18/73/82/574187382.db2.gz YFNBVIDMPOZLIL-AWEZNQCLSA-N 1 2 286.335 2.941 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348879 617679730 /nfs/dbraw/zinc/67/97/30/617679730.db2.gz UMTCRRVYDJAXQD-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348879 617679734 /nfs/dbraw/zinc/67/97/34/617679734.db2.gz UMTCRRVYDJAXQD-SNVBAGLBSA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348877 617679861 /nfs/dbraw/zinc/67/98/61/617679861.db2.gz UMTCRRVYDJAXQD-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000932348877 617679863 /nfs/dbraw/zinc/67/98/63/617679863.db2.gz UMTCRRVYDJAXQD-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1CC1CC1 ZINC000933216757 618171157 /nfs/dbraw/zinc/17/11/57/618171157.db2.gz ZFZYKOADSLEPNU-CQSZACIVSA-N 1 2 276.336 2.596 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933216757 618171159 /nfs/dbraw/zinc/17/11/59/618171159.db2.gz ZFZYKOADSLEPNU-CQSZACIVSA-N 1 2 276.336 2.596 20 5 CFBDLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000895085256 618277349 /nfs/dbraw/zinc/27/73/49/618277349.db2.gz GMNALVPKPQYICS-JTQLQIEISA-N 1 2 287.323 2.624 20 5 CFBDLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccccc1[N+](=O)[O-] ZINC000895085256 618277352 /nfs/dbraw/zinc/27/73/52/618277352.db2.gz GMNALVPKPQYICS-JTQLQIEISA-N 1 2 287.323 2.624 20 5 CFBDLO CCn1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000902574868 621128258 /nfs/dbraw/zinc/12/82/58/621128258.db2.gz MVZDMHBBOJLUEL-UHFFFAOYSA-N 1 2 288.351 2.836 20 5 CFBDLO Cc1nn(C[N@@H+](C)Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000904439289 621598099 /nfs/dbraw/zinc/59/80/99/621598099.db2.gz JWIWDVVSVRKSDX-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO Cc1nn(C[N@H+](C)Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000904439289 621598101 /nfs/dbraw/zinc/59/81/01/621598101.db2.gz JWIWDVVSVRKSDX-UHFFFAOYSA-N 1 2 288.351 2.806 20 5 CFBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000922580794 626316523 /nfs/dbraw/zinc/31/65/23/626316523.db2.gz FAYXPESAXPUZKO-AWEZNQCLSA-N 1 2 284.319 2.626 20 5 CFBDLO Cc1ccc(OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000762476518 626918124 /nfs/dbraw/zinc/91/81/24/626918124.db2.gz DHQMROCWLUYBBC-UHFFFAOYSA-N 1 2 287.319 2.943 20 5 CFBDLO O=C(OCc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000770921506 627558854 /nfs/dbraw/zinc/55/88/54/627558854.db2.gz CJPTWXOSJIXQBQ-UHFFFAOYSA-N 1 2 297.270 2.600 20 5 CFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012050 627878970 /nfs/dbraw/zinc/87/89/70/627878970.db2.gz AVJHOAWTHOHORX-BXUZGUMPSA-N 1 2 292.335 2.683 20 5 CFBDLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000774012050 627878973 /nfs/dbraw/zinc/87/89/73/627878973.db2.gz AVJHOAWTHOHORX-BXUZGUMPSA-N 1 2 292.335 2.683 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000779888501 628416341 /nfs/dbraw/zinc/41/63/41/628416341.db2.gz MAGQGRMLYWODQG-CDNLZTBQSA-N 1 2 298.346 2.927 20 5 CFBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000779888501 628416346 /nfs/dbraw/zinc/41/63/46/628416346.db2.gz MAGQGRMLYWODQG-CDNLZTBQSA-N 1 2 298.346 2.927 20 5 CFBDLO CC(=CC(=O)Nc1cc[nH+]c(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784097270 628776068 /nfs/dbraw/zinc/77/60/68/628776068.db2.gz HVFJUDFSDNQBFN-PKNBQFBNSA-N 1 2 297.314 2.762 20 5 CFBDLO COCC[N@H+](CCF)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852485578 634758479 /nfs/dbraw/zinc/75/84/79/634758479.db2.gz WMCQXFCOAUHCBH-LLVKDONJSA-N 1 2 270.304 2.574 20 5 CFBDLO COCC[N@@H+](CCF)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852485578 634758483 /nfs/dbraw/zinc/75/84/83/634758483.db2.gz WMCQXFCOAUHCBH-LLVKDONJSA-N 1 2 270.304 2.574 20 5 CFBDLO Cc1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000844299725 632161269 /nfs/dbraw/zinc/16/12/69/632161269.db2.gz FJJMYBKHULBMRN-NSHDSACASA-N 1 2 289.291 2.656 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844339367 632173798 /nfs/dbraw/zinc/17/37/98/632173798.db2.gz ZHRMQPUZPRNGTQ-NSHDSACASA-N 1 2 289.291 2.656 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440016 632213168 /nfs/dbraw/zinc/21/31/68/632213168.db2.gz KPOBUDXOENJASB-CYBMUJFWSA-N 1 2 298.289 2.922 20 5 CFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440016 632213171 /nfs/dbraw/zinc/21/31/71/632213171.db2.gz KPOBUDXOENJASB-CYBMUJFWSA-N 1 2 298.289 2.922 20 5 CFBDLO O=[N+]([O-])c1cc(C[NH+]2CCCC2)ccc1Br ZINC000098012817 651060076 /nfs/dbraw/zinc/06/00/76/651060076.db2.gz NUXIQNSLLSSNIR-UHFFFAOYSA-N 1 2 285.141 2.953 20 5 CFBDLO Cc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000885983274 646796075 /nfs/dbraw/zinc/79/60/75/646796075.db2.gz BPMZLOLLWKHVGL-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])s1 ZINC000885983274 646796078 /nfs/dbraw/zinc/79/60/78/646796078.db2.gz BPMZLOLLWKHVGL-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000926493620 648508573 /nfs/dbraw/zinc/50/85/73/648508573.db2.gz WLTNAJDXUVWPON-DTWKUNHWSA-N 1 2 276.296 2.698 20 5 CFBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)nc1Cl ZINC000931098508 649380247 /nfs/dbraw/zinc/38/02/47/649380247.db2.gz IRXGRRVQUHLCQV-ZCFIWIBFSA-N 1 2 297.664 2.681 20 5 CFBDLO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218006577 775434524 /nfs/dbraw/zinc/43/45/24/775434524.db2.gz LXMJYGINNXTUAP-JTQLQIEISA-N 1 2 292.669 2.624 20 5 CFBDLO CC[NH+]1CC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001226964038 776036580 /nfs/dbraw/zinc/03/65/80/776036580.db2.gz JXMNEIPOYKUKKH-UHFFFAOYSA-N 1 2 290.241 2.697 20 5 CFBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227263114 776162933 /nfs/dbraw/zinc/16/29/33/776162933.db2.gz CDSGNGYJNWFRLB-JTQLQIEISA-N 1 2 290.323 2.579 20 5 CFBDLO Cc1cc(F)cc([N+](=O)[O-])c1OC1C[NH+](C(C)(C)C)C1 ZINC001229199069 776749782 /nfs/dbraw/zinc/74/97/82/776749782.db2.gz RRQOSEDQVJPGLG-UHFFFAOYSA-N 1 2 282.315 2.904 20 5 CFBDLO Cc1cc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001127645101 779643421 /nfs/dbraw/zinc/64/34/21/779643421.db2.gz WVXLKRPTZLRCDB-UHFFFAOYSA-N 1 2 285.303 2.589 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291352 349592517 /nfs/dbraw/zinc/59/25/17/349592517.db2.gz REFJKPWKMWSFPO-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291352 349592518 /nfs/dbraw/zinc/59/25/18/349592518.db2.gz REFJKPWKMWSFPO-GXFFZTMASA-N 1 2 282.315 2.733 20 5 CFBDLO Cc1noc(C[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595414272 349618765 /nfs/dbraw/zinc/61/87/65/349618765.db2.gz FZFKOHKCCHSNAV-SECBINFHSA-N 1 2 261.281 2.742 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cnc[nH]1 ZINC000595593656 349667889 /nfs/dbraw/zinc/66/78/89/349667889.db2.gz YBVDOBMPQKRQTP-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cnc[nH]1 ZINC000595593656 349667892 /nfs/dbraw/zinc/66/78/92/349667892.db2.gz YBVDOBMPQKRQTP-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1c[nH]cn1 ZINC000595593656 349667895 /nfs/dbraw/zinc/66/78/95/349667895.db2.gz YBVDOBMPQKRQTP-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1c[nH]cn1 ZINC000595593656 349667897 /nfs/dbraw/zinc/66/78/97/349667897.db2.gz YBVDOBMPQKRQTP-LLVKDONJSA-N 1 2 274.324 2.819 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595683128 349699701 /nfs/dbraw/zinc/69/97/01/349699701.db2.gz UFAQENHGDFHSMP-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595683128 349699702 /nfs/dbraw/zinc/69/97/02/349699702.db2.gz UFAQENHGDFHSMP-NSHDSACASA-N 1 2 294.326 2.877 20 5 CFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000596239702 349837255 /nfs/dbraw/zinc/83/72/55/349837255.db2.gz KBKNSULWPYQHEA-SECBINFHSA-N 1 2 261.285 2.503 20 5 CFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000596245807 349838918 /nfs/dbraw/zinc/83/89/18/349838918.db2.gz ALVVXLVZKHOOTI-ZJUUUORDSA-N 1 2 257.293 2.988 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC(C)(C)C1 ZINC000075589085 347086214 /nfs/dbraw/zinc/08/62/14/347086214.db2.gz CJPAMCYIJSYGPF-NSHDSACASA-N 1 2 264.325 2.767 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC(C)(C)C1 ZINC000075589085 347086218 /nfs/dbraw/zinc/08/62/18/347086218.db2.gz CJPAMCYIJSYGPF-NSHDSACASA-N 1 2 264.325 2.767 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]4C[C@H]4C3)c2c1 ZINC000596512383 349926016 /nfs/dbraw/zinc/92/60/16/349926016.db2.gz UZHOCRMEJFBZAH-RYUDHWBXSA-N 1 2 269.304 2.989 20 5 CFBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc([N+](=O)[O-])cn1 ZINC000018061647 346241193 /nfs/dbraw/zinc/24/11/93/346241193.db2.gz GZIHERSSSCNGIJ-UHFFFAOYSA-N 1 2 297.318 2.760 20 5 CFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000057778212 346636798 /nfs/dbraw/zinc/63/67/98/346636798.db2.gz NNOAGAQYFWOHDF-UHFFFAOYSA-N 1 2 296.286 2.803 20 5 CFBDLO Cc1nc2[nH]ccc2c(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000080946899 347386486 /nfs/dbraw/zinc/38/64/86/347386486.db2.gz QYXRAGDXNHUXFT-UHFFFAOYSA-N 1 2 297.318 2.811 20 5 CFBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000080981921 347393769 /nfs/dbraw/zinc/39/37/69/347393769.db2.gz JQRXLUNKYGZVNC-UHFFFAOYSA-N 1 2 272.308 2.656 20 5 CFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N(C)C)c1 ZINC000088700862 347507434 /nfs/dbraw/zinc/50/74/34/347507434.db2.gz XLXSNVPASVEHNG-UHFFFAOYSA-N 1 2 286.335 2.976 20 5 CFBDLO CCOC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093418872 347674438 /nfs/dbraw/zinc/67/44/38/347674438.db2.gz AESQCKAJTAEKIL-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO CCOC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093418872 347674442 /nfs/dbraw/zinc/67/44/42/347674442.db2.gz AESQCKAJTAEKIL-LBPRGKRZSA-N 1 2 294.351 2.549 20 5 CFBDLO COc1ccc(NCc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000225894925 348180543 /nfs/dbraw/zinc/18/05/43/348180543.db2.gz XBBFKWSFDJIVFQ-UHFFFAOYSA-N 1 2 259.265 2.611 20 5 CFBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCCn1cc[nH+]c1 ZINC000312457072 348418217 /nfs/dbraw/zinc/41/82/17/348418217.db2.gz YBTLSEBQYUACHR-UHFFFAOYSA-N 1 2 282.250 2.841 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](C(F)F)C2)c(F)c1 ZINC000586768405 348749529 /nfs/dbraw/zinc/74/95/29/348749529.db2.gz HMRJJRKRIFWHOM-ZETCQYMHSA-N 1 2 292.232 2.960 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](C(F)F)C2)c(F)c1 ZINC000586768405 348749534 /nfs/dbraw/zinc/74/95/34/348749534.db2.gz HMRJJRKRIFWHOM-ZETCQYMHSA-N 1 2 292.232 2.960 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC=CCC2)c(F)c1 ZINC000586769048 348749891 /nfs/dbraw/zinc/74/98/91/348749891.db2.gz PVZXHINIJCYKLE-UHFFFAOYSA-N 1 2 254.236 2.635 20 5 CFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC=CCC2)c(F)c1 ZINC000586769048 348749895 /nfs/dbraw/zinc/74/98/95/348749895.db2.gz PVZXHINIJCYKLE-UHFFFAOYSA-N 1 2 254.236 2.635 20 5 CFBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)s1 ZINC000589583404 348839333 /nfs/dbraw/zinc/83/93/33/348839333.db2.gz DBTAFHFNOMUOAF-UHFFFAOYSA-N 1 2 274.305 2.916 20 5 CFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(C4CC4)C3)c2c1 ZINC000591162979 348995364 /nfs/dbraw/zinc/99/53/64/348995364.db2.gz LNTOWQGRKITWFT-UHFFFAOYSA-N 1 2 269.304 2.989 20 5 CFBDLO CC(C)OCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599064411 350368057 /nfs/dbraw/zinc/36/80/57/350368057.db2.gz CNDWUQMXMPOLIB-UHFFFAOYSA-N 1 2 275.308 2.980 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092017535 180307484 /nfs/dbraw/zinc/30/74/84/180307484.db2.gz CCCMEZDRNBPSRH-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000092017535 180307485 /nfs/dbraw/zinc/30/74/85/180307485.db2.gz CCCMEZDRNBPSRH-RYUDHWBXSA-N 1 2 264.325 2.512 20 5 CFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](C2CC2)C1 ZINC000599069199 350369571 /nfs/dbraw/zinc/36/95/71/350369571.db2.gz CZEJOYJZRYRJDR-OAHLLOKOSA-N 1 2 299.330 2.758 20 5 CFBDLO CC(C)(O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072144 350370902 /nfs/dbraw/zinc/37/09/02/350370902.db2.gz ZLDDNVKXTBWRRE-UHFFFAOYSA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@@H](O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599079811 350371509 /nfs/dbraw/zinc/37/15/09/350371509.db2.gz PJQDMJDIULOFHA-SNVBAGLBSA-N 1 2 275.308 2.716 20 5 CFBDLO C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CO1 ZINC000599092953 350375392 /nfs/dbraw/zinc/37/53/92/350375392.db2.gz LDVCTXBXAIUOQU-ONGXEEELSA-N 1 2 273.292 2.732 20 5 CFBDLO C[C@]12COC[C@@H]1CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599107615 350376702 /nfs/dbraw/zinc/37/67/02/350376702.db2.gz OWUZVEOZXWSFKG-LRDDRELGSA-N 1 2 299.330 2.616 20 5 CFBDLO C[C@@]12COC[C@@H]1CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599107614 350376756 /nfs/dbraw/zinc/37/67/56/350376756.db2.gz OWUZVEOZXWSFKG-BLLLJJGKSA-N 1 2 299.330 2.616 20 5 CFBDLO CN(CC1(C)COC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599145034 350384143 /nfs/dbraw/zinc/38/41/43/350384143.db2.gz MPJNKYOQOCZPMZ-UHFFFAOYSA-N 1 2 287.319 2.616 20 5 CFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cn2ccccc2[nH+]1 ZINC000108349471 186213182 /nfs/dbraw/zinc/21/31/82/186213182.db2.gz HAGAVCORVUKACH-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO CSC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000602725018 351001284 /nfs/dbraw/zinc/00/12/84/351001284.db2.gz HFROICGLGGWXLF-UHFFFAOYSA-N 1 2 282.365 2.628 20 5 CFBDLO Cc1c(C[N@H+](C)Cc2ccns2)cccc1[N+](=O)[O-] ZINC000602881969 351057413 /nfs/dbraw/zinc/05/74/13/351057413.db2.gz ILKBSTBBMHDNES-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO Cc1c(C[N@@H+](C)Cc2ccns2)cccc1[N+](=O)[O-] ZINC000602881969 351057414 /nfs/dbraw/zinc/05/74/14/351057414.db2.gz ILKBSTBBMHDNES-UHFFFAOYSA-N 1 2 277.349 2.992 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602901130 351061493 /nfs/dbraw/zinc/06/14/93/351061493.db2.gz WZUFNLGCMOLLFD-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602901130 351061496 /nfs/dbraw/zinc/06/14/96/351061496.db2.gz WZUFNLGCMOLLFD-AWEZNQCLSA-N 1 2 284.319 2.722 20 5 CFBDLO COCc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000603428518 351162565 /nfs/dbraw/zinc/16/25/65/351162565.db2.gz UWOPWBGEFUCHHW-SNVBAGLBSA-N 1 2 291.307 2.580 20 5 CFBDLO O=[N+]([O-])c1ccccc1CN(c1cc(CO)cc[nH+]1)C1CC1 ZINC000603317451 351138140 /nfs/dbraw/zinc/13/81/40/351138140.db2.gz PHMIWAAEOJRAFN-UHFFFAOYSA-N 1 2 299.330 2.651 20 5 CFBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000610726400 351598687 /nfs/dbraw/zinc/59/86/87/351598687.db2.gz BIORGLMFKYYEJS-MNOVXSKESA-N 1 2 292.364 2.940 20 5 CFBDLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1F ZINC000611502201 351699323 /nfs/dbraw/zinc/69/93/23/351699323.db2.gz PHJJZLGGSCVZSV-BXKDBHETSA-N 1 2 270.279 2.914 20 5 CFBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1F ZINC000611502201 351699329 /nfs/dbraw/zinc/69/93/29/351699329.db2.gz PHJJZLGGSCVZSV-BXKDBHETSA-N 1 2 270.279 2.914 20 5 CFBDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611502424 351699653 /nfs/dbraw/zinc/69/96/53/351699653.db2.gz SDMJIRCLNJTFBT-PWSUYJOCSA-N 1 2 282.315 2.783 20 5 CFBDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000611502424 351699656 /nfs/dbraw/zinc/69/96/56/351699656.db2.gz SDMJIRCLNJTFBT-PWSUYJOCSA-N 1 2 282.315 2.783 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000611813153 351742813 /nfs/dbraw/zinc/74/28/13/351742813.db2.gz JMEXYCYBPKXFAL-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000611813153 351742815 /nfs/dbraw/zinc/74/28/15/351742815.db2.gz JMEXYCYBPKXFAL-UHFFFAOYSA-N 1 2 296.754 2.861 20 5 CFBDLO CN(Cc1[nH+]ccn1C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273027440 192024951 /nfs/dbraw/zinc/02/49/51/192024951.db2.gz TXDQEKWKLNNCPL-UHFFFAOYSA-N 1 2 294.742 2.614 20 5 CFBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000273633535 192240033 /nfs/dbraw/zinc/24/00/33/192240033.db2.gz SQLPMOJCZHMTNN-SECBINFHSA-N 1 2 292.364 2.914 20 5 CFBDLO Cc1cnc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000301462673 201017987 /nfs/dbraw/zinc/01/79/87/201017987.db2.gz VDPDCYUWKLYIEW-UHFFFAOYSA-N 1 2 283.291 2.558 20 5 CFBDLO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c2[nH+]ccn21 ZINC000450822939 242620897 /nfs/dbraw/zinc/62/08/97/242620897.db2.gz BMYYXLSUXZEYPY-PELKAZGASA-N 1 2 298.306 2.786 20 5 CFBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000276590759 193392555 /nfs/dbraw/zinc/39/25/55/193392555.db2.gz KIFBWGKJXFSBKE-JTQLQIEISA-N 1 2 294.336 2.507 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000061918219 373738862 /nfs/dbraw/zinc/73/88/62/373738862.db2.gz GNDFAAOSXKYZKD-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000061918219 373738867 /nfs/dbraw/zinc/73/88/67/373738867.db2.gz GNDFAAOSXKYZKD-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000061918223 373739342 /nfs/dbraw/zinc/73/93/42/373739342.db2.gz DBSOUVNIERAMMN-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000061918223 373739353 /nfs/dbraw/zinc/73/93/53/373739353.db2.gz DBSOUVNIERAMMN-JTQLQIEISA-N 1 2 284.743 2.859 20 5 CFBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000070942434 374206504 /nfs/dbraw/zinc/20/65/04/374206504.db2.gz HYNQLMLUYMJOBW-ZETCQYMHSA-N 1 2 269.351 2.964 20 5 CFBDLO C[C@@H]1OCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093417823 375230892 /nfs/dbraw/zinc/23/08/92/375230892.db2.gz CWJWZZUOVJMMCJ-YTDWTQRBSA-N 1 2 276.336 2.717 20 5 CFBDLO C[C@@H]1OCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093417823 375230894 /nfs/dbraw/zinc/23/08/94/375230894.db2.gz CWJWZZUOVJMMCJ-YTDWTQRBSA-N 1 2 276.336 2.717 20 5 CFBDLO Cc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000507166121 247166037 /nfs/dbraw/zinc/16/60/37/247166037.db2.gz CQFYGWJOXPNDDW-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO Cc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000507166121 247166040 /nfs/dbraw/zinc/16/60/40/247166040.db2.gz CQFYGWJOXPNDDW-UHFFFAOYSA-N 1 2 298.346 2.858 20 5 CFBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000120450380 376618458 /nfs/dbraw/zinc/61/84/58/376618458.db2.gz WOYVEPHOMBLEOL-VIFPVBQESA-N 1 2 294.742 2.833 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000132454864 377841661 /nfs/dbraw/zinc/84/16/61/377841661.db2.gz UZLZMSMRPRVJEQ-CYBMUJFWSA-N 1 2 264.325 2.596 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000132454864 377841673 /nfs/dbraw/zinc/84/16/73/377841673.db2.gz UZLZMSMRPRVJEQ-CYBMUJFWSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000135647659 378153229 /nfs/dbraw/zinc/15/32/29/378153229.db2.gz OURKEAIXLCTPDO-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000135647659 378153234 /nfs/dbraw/zinc/15/32/34/378153234.db2.gz OURKEAIXLCTPDO-AWEZNQCLSA-N 1 2 282.315 2.735 20 5 CFBDLO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000135405308 378127969 /nfs/dbraw/zinc/12/79/69/378127969.db2.gz VXFVCNAZEBALIS-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC(C)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000135405308 378127975 /nfs/dbraw/zinc/12/79/75/378127975.db2.gz VXFVCNAZEBALIS-UHFFFAOYSA-N 1 2 288.294 2.949 20 5 CFBDLO CC[C@@]1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000135615992 378149768 /nfs/dbraw/zinc/14/97/68/378149768.db2.gz IABHMWMTSXQNQW-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO CC[C@@]1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000135615992 378149773 /nfs/dbraw/zinc/14/97/73/378149773.db2.gz IABHMWMTSXQNQW-AWEZNQCLSA-N 1 2 264.325 2.596 20 5 CFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279240352 194347515 /nfs/dbraw/zinc/34/75/15/194347515.db2.gz FXFZWMILTDIIIZ-XHDPSFHLSA-N 1 2 276.336 2.594 20 5 CFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000279240352 194347517 /nfs/dbraw/zinc/34/75/17/194347517.db2.gz FXFZWMILTDIIIZ-XHDPSFHLSA-N 1 2 276.336 2.594 20 5 CFBDLO Cc1c[nH+]c(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000341347147 380955397 /nfs/dbraw/zinc/95/53/97/380955397.db2.gz KAFDGBHFETZLMW-LBPRGKRZSA-N 1 2 288.351 2.796 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000368429028 381021483 /nfs/dbraw/zinc/02/14/83/381021483.db2.gz KOUWKPJDDSNGHF-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000368429028 381021486 /nfs/dbraw/zinc/02/14/86/381021486.db2.gz KOUWKPJDDSNGHF-AWEZNQCLSA-N 1 2 286.335 2.665 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(F)c1 ZINC000411869857 381040584 /nfs/dbraw/zinc/04/05/84/381040584.db2.gz FQRSMKHAPJOKEP-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(F)c1 ZINC000411869857 381040591 /nfs/dbraw/zinc/04/05/91/381040591.db2.gz FQRSMKHAPJOKEP-OAHLLOKOSA-N 1 2 294.326 2.735 20 5 CFBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000371429621 381624949 /nfs/dbraw/zinc/62/49/49/381624949.db2.gz FRVZYOIBCFBKOX-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000371429621 381624953 /nfs/dbraw/zinc/62/49/53/381624953.db2.gz FRVZYOIBCFBKOX-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(CN2CCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000371429621 381624960 /nfs/dbraw/zinc/62/49/60/381624960.db2.gz FRVZYOIBCFBKOX-AWEZNQCLSA-N 1 2 286.335 2.963 20 5 CFBDLO Cc1c(C[N@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000298688809 381712111 /nfs/dbraw/zinc/71/21/11/381712111.db2.gz CPHOTZXVKRHHPK-GHMZBOCLSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cccc1[N+](=O)[O-] ZINC000298688809 381712118 /nfs/dbraw/zinc/71/21/18/381712118.db2.gz CPHOTZXVKRHHPK-GHMZBOCLSA-N 1 2 264.325 2.512 20 5 CFBDLO Cc1cnc(N[C@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000291148299 381685536 /nfs/dbraw/zinc/68/55/36/381685536.db2.gz OTWFBNGHOUHWSR-NSHDSACASA-N 1 2 275.312 2.831 20 5 CFBDLO Cc1[nH+]cccc1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000348865434 381744627 /nfs/dbraw/zinc/74/46/27/381744627.db2.gz IETHBACJNXYLSK-UHFFFAOYSA-N 1 2 296.286 2.939 20 5 CFBDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925708 381768119 /nfs/dbraw/zinc/76/81/19/381768119.db2.gz DTSJSSMEAFUHKS-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925708 381768129 /nfs/dbraw/zinc/76/81/29/381768129.db2.gz DTSJSSMEAFUHKS-SNVBAGLBSA-N 1 2 292.314 2.660 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375004659 382063346 /nfs/dbraw/zinc/06/33/46/382063346.db2.gz OCBXECJNOMDVPD-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000375004659 382063349 /nfs/dbraw/zinc/06/33/49/382063349.db2.gz OCBXECJNOMDVPD-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000375004659 382063351 /nfs/dbraw/zinc/06/33/51/382063351.db2.gz OCBXECJNOMDVPD-CYBMUJFWSA-N 1 2 272.308 2.655 20 5 CFBDLO Cc1ccnc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000301303627 382143396 /nfs/dbraw/zinc/14/33/96/382143396.db2.gz SKDAGLWEASBQRH-UHFFFAOYSA-N 1 2 297.318 2.601 20 5 CFBDLO COCCCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000419382834 382309313 /nfs/dbraw/zinc/30/93/13/382309313.db2.gz IOCVJFJSMSNGKC-UHFFFAOYSA-N 1 2 288.294 2.731 20 5 CFBDLO COCCCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000419382834 382309320 /nfs/dbraw/zinc/30/93/20/382309320.db2.gz IOCVJFJSMSNGKC-UHFFFAOYSA-N 1 2 288.294 2.731 20 5 CFBDLO CCOc1cc(NCc2[nH+]ccn2CC)ccc1[N+](=O)[O-] ZINC000385428144 382569603 /nfs/dbraw/zinc/56/96/03/382569603.db2.gz DEPYGGHOWKKCJZ-UHFFFAOYSA-N 1 2 290.323 2.822 20 5 CFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190814928 382681330 /nfs/dbraw/zinc/68/13/30/382681330.db2.gz UNMSTNHCLOABSW-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190814928 382681331 /nfs/dbraw/zinc/68/13/31/382681331.db2.gz UNMSTNHCLOABSW-LLVKDONJSA-N 1 2 292.335 2.511 20 5 CFBDLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000336840741 382731591 /nfs/dbraw/zinc/73/15/91/382731591.db2.gz QONZJRAQHZQCLC-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000336840741 382731593 /nfs/dbraw/zinc/73/15/93/382731593.db2.gz QONZJRAQHZQCLC-ZDUSSCGKSA-N 1 2 298.770 2.841 20 5 CFBDLO CC(C)(C)OCCC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596464223 383127244 /nfs/dbraw/zinc/12/72/44/383127244.db2.gz IHJHKEOWQRAEPC-UHFFFAOYSA-N 1 2 292.339 2.510 20 5 CFBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000338907587 383081959 /nfs/dbraw/zinc/08/19/59/383081959.db2.gz ZMMUTDYZTHNFBR-UHFFFAOYSA-N 1 2 252.314 2.778 20 5 CFBDLO Cc1csc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000339083893 383143416 /nfs/dbraw/zinc/14/34/16/383143416.db2.gz CAZUENTUAJGLNN-SECBINFHSA-N 1 2 293.348 2.916 20 5 CFBDLO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339083974 383143469 /nfs/dbraw/zinc/14/34/69/383143469.db2.gz OOKHTZCYMHMVSA-UWVGGRQHSA-N 1 2 252.314 2.825 20 5 CFBDLO CC(F)(F)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517246037 383173793 /nfs/dbraw/zinc/17/37/93/383173793.db2.gz IWBGWZAUOVTOTI-SNVBAGLBSA-N 1 2 256.252 2.827 20 5 CFBDLO COC[C@@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099566 383149832 /nfs/dbraw/zinc/14/98/32/383149832.db2.gz XVDMQERTNUESAO-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO COC[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339099566 383149834 /nfs/dbraw/zinc/14/98/34/383149834.db2.gz XVDMQERTNUESAO-GFCCVEGCSA-N 1 2 294.351 2.549 20 5 CFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000519807890 383237684 /nfs/dbraw/zinc/23/76/84/383237684.db2.gz GJNWRWJETQXQSL-NSHDSACASA-N 1 2 287.319 2.758 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339770804 383311051 /nfs/dbraw/zinc/31/10/51/383311051.db2.gz GVCLGQNYOCJVFE-OAHLLOKOSA-N 1 2 290.363 2.986 20 5 CFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339770804 383311056 /nfs/dbraw/zinc/31/10/56/383311056.db2.gz GVCLGQNYOCJVFE-OAHLLOKOSA-N 1 2 290.363 2.986 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000450828479 383508267 /nfs/dbraw/zinc/50/82/67/383508267.db2.gz KOTVCEQDGRVQAV-NSHDSACASA-N 1 2 289.339 2.996 20 5 CFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000450830432 383509215 /nfs/dbraw/zinc/50/92/15/383509215.db2.gz NWFCSPITFZIYHP-JTQLQIEISA-N 1 2 260.297 2.984 20 5 CFBDLO COc1cc(C[NH+]2CC(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000570520664 383611605 /nfs/dbraw/zinc/61/16/05/383611605.db2.gz NNDDWVWHETVTFC-UHFFFAOYSA-N 1 2 290.241 2.598 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@@H](C)O1 ZINC000438364403 383995800 /nfs/dbraw/zinc/99/58/00/383995800.db2.gz NVJMUTZHAQVUNY-OUAUKWLOSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@@H](C)O1 ZINC000438364403 383995807 /nfs/dbraw/zinc/99/58/07/383995807.db2.gz NVJMUTZHAQVUNY-OUAUKWLOSA-N 1 2 282.315 2.732 20 5 CFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000267052605 384287424 /nfs/dbraw/zinc/28/74/24/384287424.db2.gz QWYKRIRITAAYAD-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000267052605 384287430 /nfs/dbraw/zinc/28/74/30/384287430.db2.gz QWYKRIRITAAYAD-SECBINFHSA-N 1 2 270.329 2.671 20 5 CFBDLO Cn1c[nH+]cc1CSCc1ccc([N+](=O)[O-])cc1 ZINC000269987304 384930959 /nfs/dbraw/zinc/93/09/59/384930959.db2.gz FHXRKYADRYXQFF-UHFFFAOYSA-N 1 2 263.322 2.762 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000283019062 385424920 /nfs/dbraw/zinc/42/49/20/385424920.db2.gz HRNSHRACQAFBJZ-QWRGUYRKSA-N 1 2 262.309 2.567 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000283019062 385424923 /nfs/dbraw/zinc/42/49/23/385424923.db2.gz HRNSHRACQAFBJZ-QWRGUYRKSA-N 1 2 262.309 2.567 20 5 CFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000283270427 385452168 /nfs/dbraw/zinc/45/21/68/385452168.db2.gz WPIZHLDFGBVAPP-GFCCVEGCSA-N 1 2 282.315 2.735 20 5 CFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000283270427 385452172 /nfs/dbraw/zinc/45/21/72/385452172.db2.gz WPIZHLDFGBVAPP-GFCCVEGCSA-N 1 2 282.315 2.735 20 5 CFBDLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356741 130288726 /nfs/dbraw/zinc/28/87/26/130288726.db2.gz ROAYEFQLDKVWQE-ZDUSSCGKSA-N 1 2 252.289 2.837 20 5 CFBDLO Cc1ccc(C[N@H+]2CC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000355356741 130288729 /nfs/dbraw/zinc/28/87/29/130288729.db2.gz ROAYEFQLDKVWQE-ZDUSSCGKSA-N 1 2 252.289 2.837 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000263874199 131351424 /nfs/dbraw/zinc/35/14/24/131351424.db2.gz JNYIUTFQPFWAFW-NSHDSACASA-N 1 2 294.351 2.929 20 5 CFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000263874199 131351426 /nfs/dbraw/zinc/35/14/26/131351426.db2.gz JNYIUTFQPFWAFW-NSHDSACASA-N 1 2 294.351 2.929 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)cc1 ZINC000194023093 393672546 /nfs/dbraw/zinc/67/25/46/393672546.db2.gz WLAOGIHREWSHFX-UHFFFAOYSA-N 1 2 272.308 2.904 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000430195645 393965959 /nfs/dbraw/zinc/96/59/59/393965959.db2.gz OUTGKIXJIPVJOG-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000430195645 393965960 /nfs/dbraw/zinc/96/59/60/393965960.db2.gz OUTGKIXJIPVJOG-SRVKXCTJSA-N 1 2 294.351 2.601 20 5 CFBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628167 394073427 /nfs/dbraw/zinc/07/34/27/394073427.db2.gz QERMHLBEDKZTPV-BLLLJJGKSA-N 1 2 290.363 2.903 20 5 CFBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000280628167 394073431 /nfs/dbraw/zinc/07/34/31/394073431.db2.gz QERMHLBEDKZTPV-BLLLJJGKSA-N 1 2 290.363 2.903 20 5 CFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282599602 394125043 /nfs/dbraw/zinc/12/50/43/394125043.db2.gz XUUZBEJDWYIYJX-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000282599602 394125048 /nfs/dbraw/zinc/12/50/48/394125048.db2.gz XUUZBEJDWYIYJX-CQSZACIVSA-N 1 2 296.342 2.981 20 5 CFBDLO CC[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949348 394135478 /nfs/dbraw/zinc/13/54/78/394135478.db2.gz FLHVKNPKOMIYHE-KBPBESRZSA-N 1 2 294.351 2.690 20 5 CFBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(C)n2)ccc1[NH+](C)C ZINC000296502011 394310076 /nfs/dbraw/zinc/31/00/76/394310076.db2.gz LQCJQNDPQXEPGI-UHFFFAOYSA-N 1 2 287.323 2.811 20 5 CFBDLO Cc1cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ncc1[N+](=O)[O-] ZINC000450828093 394340798 /nfs/dbraw/zinc/34/07/98/394340798.db2.gz JRDKKSZTQANHAB-VHSXEESVSA-N 1 2 273.296 2.613 20 5 CFBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC000540379333 394647029 /nfs/dbraw/zinc/64/70/29/394647029.db2.gz NMXJCSRZPOZYRF-SECBINFHSA-N 1 2 288.307 2.706 20 5 CFBDLO Cc1[nH+]c2ccccn2c1COc1cccnc1[N+](=O)[O-] ZINC000133577618 397603740 /nfs/dbraw/zinc/60/37/40/397603740.db2.gz HARCOHCRTPNYHH-UHFFFAOYSA-N 1 2 284.275 2.525 20 5 CFBDLO O=[N+]([O-])c1ccc(NCCCc2[nH]c3ccccc3[nH+]2)cn1 ZINC000358775186 155873478 /nfs/dbraw/zinc/87/34/78/155873478.db2.gz XITWYSLEBWMVEE-UHFFFAOYSA-N 1 2 297.318 2.911 20 5 CFBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000040443853 174264331 /nfs/dbraw/zinc/26/43/31/174264331.db2.gz YZXZLUARSNQLIO-UHFFFAOYSA-N 1 2 263.322 2.650 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC34CCC4)nc2c1 ZINC000518891700 265199636 /nfs/dbraw/zinc/19/96/36/265199636.db2.gz YHJCZGXZMNRDHY-UHFFFAOYSA-N 1 2 272.308 2.600 20 5 CFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC34CCC4)nc2c1 ZINC000518891700 265199639 /nfs/dbraw/zinc/19/96/39/265199639.db2.gz YHJCZGXZMNRDHY-UHFFFAOYSA-N 1 2 272.308 2.600 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCc1cccc(C)[nH+]1 ZINC000514615368 270347800 /nfs/dbraw/zinc/34/78/00/270347800.db2.gz VEOQDMYACSWDBL-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO Cc1c[nH+]c(C)nc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000521463044 270428837 /nfs/dbraw/zinc/42/88/37/270428837.db2.gz WMIJKTNEPKRKBE-UHFFFAOYSA-N 1 2 284.319 2.564 20 5 CFBDLO CN(c1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000413286625 277004669 /nfs/dbraw/zinc/00/46/69/277004669.db2.gz ZIYAKIAZPCDEBZ-ZDUSSCGKSA-N 1 2 287.319 2.758 20 5 CFBDLO CC[N@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347337252 279210605 /nfs/dbraw/zinc/21/06/05/279210605.db2.gz ARTDMEZIAFLJAM-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO CC[N@@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000347337252 279210606 /nfs/dbraw/zinc/21/06/06/279210606.db2.gz ARTDMEZIAFLJAM-UHFFFAOYSA-N 1 2 272.732 2.717 20 5 CFBDLO COc1cc[nH+]cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000131491199 280718951 /nfs/dbraw/zinc/71/89/51/280718951.db2.gz VUSZFPUEAPOOOQ-UHFFFAOYSA-N 1 2 287.275 2.559 20 5 CFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000296231128 281142690 /nfs/dbraw/zinc/14/26/90/281142690.db2.gz CBDZUDGIIDSFMS-JTQLQIEISA-N 1 2 289.339 2.687 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)C(C)(C)C1 ZINC000565636682 290314102 /nfs/dbraw/zinc/31/41/02/290314102.db2.gz NBJBBHBCUAAAND-LBPRGKRZSA-N 1 2 277.368 2.682 20 5 CFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(C)C(C)(C)C1 ZINC000565636682 290314103 /nfs/dbraw/zinc/31/41/03/290314103.db2.gz NBJBBHBCUAAAND-LBPRGKRZSA-N 1 2 277.368 2.682 20 5 CFBDLO CCc1c[nH+]ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568347723 290548259 /nfs/dbraw/zinc/54/82/59/290548259.db2.gz QTULKUGYUHDYPY-LLVKDONJSA-N 1 2 299.330 2.716 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000370055521 303019012 /nfs/dbraw/zinc/01/90/12/303019012.db2.gz KCEKKOWBGANKOM-LLVKDONJSA-N 1 2 292.364 2.727 20 5 CFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000370055521 303019016 /nfs/dbraw/zinc/01/90/16/303019016.db2.gz KCEKKOWBGANKOM-LLVKDONJSA-N 1 2 292.364 2.727 20 5 CFBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000162397818 322364423 /nfs/dbraw/zinc/36/44/23/322364423.db2.gz LXDFIHUAZRHMPQ-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000163251694 322374827 /nfs/dbraw/zinc/37/48/27/322374827.db2.gz PDXAXMZDZVKDQU-SECBINFHSA-N 1 2 263.322 2.902 20 5 CFBDLO O=[N+]([O-])c1cc(F)ccc1NCCCCn1cc[nH+]c1 ZINC000164117873 322380389 /nfs/dbraw/zinc/38/03/89/322380389.db2.gz UVWRAHOSUFQQCG-UHFFFAOYSA-N 1 2 278.287 2.823 20 5 CFBDLO COc1cccc([N+](=O)[O-])c1NCCc1ccc(C)c[nH+]1 ZINC000569941152 322506122 /nfs/dbraw/zinc/50/61/22/322506122.db2.gz LBLOWLATEFFOIZ-UHFFFAOYSA-N 1 2 287.319 2.961 20 5 CFBDLO