smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133055380 205353463 /nfs/dbraw/zinc/35/34/63/205353463.db2.gz QJJTZOSCXIUCHU-DNVCBOLYSA-N 1 3 347.459 3.136 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000346848812 156162501 /nfs/dbraw/zinc/16/25/01/156162501.db2.gz RLMORLSAEQEMGL-FHLIZLRMSA-N 1 3 341.411 3.414 20 5 EGBDHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865120 454735694 /nfs/dbraw/zinc/73/56/94/454735694.db2.gz UGUSMMHSVRWPLY-KGLIPLIRSA-N 1 3 333.432 3.128 20 5 EGBDHO CC[C@@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154503276 454902287 /nfs/dbraw/zinc/90/22/87/454902287.db2.gz XAVZIXPJDBAXEW-LJQANCHMSA-N 1 3 348.491 3.053 20 5 EGBDHO CCC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150978170 454920979 /nfs/dbraw/zinc/92/09/79/454920979.db2.gz KEFXYBMIRJJALT-IBGZPJMESA-N 1 3 348.491 3.052 20 5 EGBDHO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185694395 455598771 /nfs/dbraw/zinc/59/87/71/455598771.db2.gz WRWMVJQZFFWTNS-NVXWUHKLSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694395 455598773 /nfs/dbraw/zinc/59/87/73/455598773.db2.gz WRWMVJQZFFWTNS-NVXWUHKLSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694395 455598775 /nfs/dbraw/zinc/59/87/75/455598775.db2.gz WRWMVJQZFFWTNS-NVXWUHKLSA-N 1 3 331.460 3.380 20 5 EGBDHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580199 458315366 /nfs/dbraw/zinc/31/53/66/458315366.db2.gz NNHLEIHVQYSXIH-JKSUJKDBSA-N 1 3 349.479 3.128 20 5 EGBDHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030346 1384094457 /nfs/dbraw/zinc/09/44/57/1384094457.db2.gz YXZDQJHTPKXTLT-UYAOXDASSA-N 1 3 345.487 3.418 20 5 EGBDHO CC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000414910170 309108795 /nfs/dbraw/zinc/10/87/95/309108795.db2.gz SKYRQRIXTLWPPX-UHFFFAOYSA-N 1 3 346.456 3.198 20 5 EGBDHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCNC1 ZINC000414918556 309109369 /nfs/dbraw/zinc/10/93/69/309109369.db2.gz UUJYDNLVEJLSLB-WDYCEAGBSA-N 1 3 331.460 3.285 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012818 309114255 /nfs/dbraw/zinc/11/42/55/309114255.db2.gz XOCCGBBILHKGAI-TZMCWYRMSA-N 1 3 346.456 3.325 20 5 EGBDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212953 310044990 /nfs/dbraw/zinc/04/49/90/310044990.db2.gz UMSMKTSIXNDRNB-SJORKVTESA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212953 310044991 /nfs/dbraw/zinc/04/49/91/310044991.db2.gz UMSMKTSIXNDRNB-SJORKVTESA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212953 310044992 /nfs/dbraw/zinc/04/49/92/310044992.db2.gz UMSMKTSIXNDRNB-SJORKVTESA-N 1 3 333.476 3.483 20 5 EGBDHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037424 454928950 /nfs/dbraw/zinc/92/89/50/454928950.db2.gz YLUZKVIDHRSCHL-UXLLHSPISA-N 1 3 349.475 3.443 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000591281845 459347310 /nfs/dbraw/zinc/34/73/10/459347310.db2.gz OUOZJEFBYIEKPW-KRWDZBQOSA-N 1 3 327.384 3.087 20 5 EGBDHO CC(C)[N@H+](C)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524156128 459349668 /nfs/dbraw/zinc/34/96/68/459349668.db2.gz LWCHWROGTGPEOV-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524156128 459349673 /nfs/dbraw/zinc/34/96/73/459349673.db2.gz LWCHWROGTGPEOV-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000591582326 459407431 /nfs/dbraw/zinc/40/74/31/459407431.db2.gz IKBBSUKDGJNHHG-IRXDYDNUSA-N 1 3 329.444 3.180 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582326 459407435 /nfs/dbraw/zinc/40/74/35/459407435.db2.gz IKBBSUKDGJNHHG-IRXDYDNUSA-N 1 3 329.444 3.180 20 5 EGBDHO [NH3+]Cc1ccc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000593323939 459842033 /nfs/dbraw/zinc/84/20/33/459842033.db2.gz UCNVLIAORYCVBO-GOSISDBHSA-N 1 3 343.402 3.304 20 5 EGBDHO COc1ccc(CN(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603109442 460244713 /nfs/dbraw/zinc/24/47/13/460244713.db2.gz AZKJGGKDVLRRNY-UHFFFAOYSA-N 1 3 335.448 3.301 20 5 EGBDHO CC1(C)C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C[C@](C)(C[NH3+])C1 ZINC001169141947 1384113036 /nfs/dbraw/zinc/11/30/36/1384113036.db2.gz DYARZFUQCODACK-KDOFPFPSSA-N 1 3 332.448 3.154 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260262 168099745 /nfs/dbraw/zinc/09/97/45/168099745.db2.gz QTZNYVLWZIFWEZ-BZSNNMDCSA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260262 168099748 /nfs/dbraw/zinc/09/97/48/168099748.db2.gz QTZNYVLWZIFWEZ-BZSNNMDCSA-N 1 3 329.444 3.132 20 5 EGBDHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCNC1 ZINC000414918553 309109297 /nfs/dbraw/zinc/10/92/97/309109297.db2.gz UUJYDNLVEJLSLB-AYBZRNKSSA-N 1 3 331.460 3.285 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCCC[C@H]3CCC[NH2+]3)o2)c1 ZINC000414969113 309112236 /nfs/dbraw/zinc/11/22/36/309112236.db2.gz ITOHXMBQUDCQCU-HNNXBMFYSA-N 1 3 329.400 3.477 20 5 EGBDHO COc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415059677 309117367 /nfs/dbraw/zinc/11/73/67/309117367.db2.gz VJNYCCVFXYBLNO-INIZCTEOSA-N 1 3 329.400 3.173 20 5 EGBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918934 309376291 /nfs/dbraw/zinc/37/62/91/309376291.db2.gz JAYORUUXUNJKTL-AWEZNQCLSA-N 1 3 342.443 3.430 20 5 EGBDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275634 309393685 /nfs/dbraw/zinc/39/36/85/309393685.db2.gz MARUHEHAPUTAHW-OWLYRPNTSA-N 1 3 331.460 3.413 20 5 EGBDHO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000185723479 455605987 /nfs/dbraw/zinc/60/59/87/455605987.db2.gz UPZFKNOMHIPFLB-HOTGVXAUSA-N 1 3 347.459 3.216 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CN(C)C ZINC000425935400 457655904 /nfs/dbraw/zinc/65/59/04/457655904.db2.gz DCVPLZFCQJRWCW-ZIAGYGMSSA-N 1 3 325.478 3.253 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH+](C)C ZINC000425935400 457655911 /nfs/dbraw/zinc/65/59/11/457655911.db2.gz DCVPLZFCQJRWCW-ZIAGYGMSSA-N 1 3 325.478 3.253 20 5 EGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423503485 458444830 /nfs/dbraw/zinc/44/48/30/458444830.db2.gz FURXPMBXXUEVJK-AYOQOUSVSA-N 1 3 339.439 3.261 20 5 EGBDHO C[NH+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566689162 458984959 /nfs/dbraw/zinc/98/49/59/458984959.db2.gz OYCVGNWCRVRPPS-GOSISDBHSA-N 1 3 325.412 3.434 20 5 EGBDHO [NH3+]CCc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817950627 1319474762 /nfs/dbraw/zinc/47/47/62/1319474762.db2.gz ZCHCZFGIDLQZCF-LJQANCHMSA-N 1 3 325.412 3.263 20 5 EGBDHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043559 309382674 /nfs/dbraw/zinc/38/26/74/309382674.db2.gz PAGYLDNMSFYCDY-GUYCJALGSA-N 1 3 347.846 3.339 20 5 EGBDHO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCNC1 ZINC000423221157 309391302 /nfs/dbraw/zinc/39/13/02/309391302.db2.gz WLFZSIRBCLKXEL-UOVPBQLFSA-N 1 3 331.460 3.284 20 5 EGBDHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212952 310044974 /nfs/dbraw/zinc/04/49/74/310044974.db2.gz UMSMKTSIXNDRNB-IRXDYDNUSA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212952 310044975 /nfs/dbraw/zinc/04/49/75/310044975.db2.gz UMSMKTSIXNDRNB-IRXDYDNUSA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212952 310044976 /nfs/dbraw/zinc/04/49/76/310044976.db2.gz UMSMKTSIXNDRNB-IRXDYDNUSA-N 1 3 333.476 3.483 20 5 EGBDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000162854885 454804537 /nfs/dbraw/zinc/80/45/37/454804537.db2.gz OYSIRHURNKFESV-BBWFWOEESA-N 1 3 349.475 3.443 20 5 EGBDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000578643113 459235665 /nfs/dbraw/zinc/23/56/65/459235665.db2.gz NOVNTGLJEJMDBG-RKVPGOIHSA-N 1 3 347.459 3.061 20 5 EGBDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262009 1330087072 /nfs/dbraw/zinc/08/70/72/1330087072.db2.gz ZBVHAYIFKNUXIZ-LSDHHAIUSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262009 1330087074 /nfs/dbraw/zinc/08/70/74/1330087074.db2.gz ZBVHAYIFKNUXIZ-LSDHHAIUSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262009 1330087077 /nfs/dbraw/zinc/08/70/77/1330087077.db2.gz ZBVHAYIFKNUXIZ-LSDHHAIUSA-N 1 3 337.439 3.375 20 5 EGBDHO CCN(Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030345 1384094910 /nfs/dbraw/zinc/09/49/10/1384094910.db2.gz YXZDQJHTPKXTLT-QUCCMNQESA-N 1 3 345.487 3.418 20 5 EGBDHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046376 1384100371 /nfs/dbraw/zinc/10/03/71/1384100371.db2.gz LNHRGAQQGKTICD-QFBILLFUSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046376 1384100374 /nfs/dbraw/zinc/10/03/74/1384100374.db2.gz LNHRGAQQGKTICD-QFBILLFUSA-N 1 3 349.450 3.167 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000346836760 156158897 /nfs/dbraw/zinc/15/88/97/156158897.db2.gz VOBVDRLQLHLROF-JCGIZDLHSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCCNC1 ZINC000414918554 309109233 /nfs/dbraw/zinc/10/92/33/309109233.db2.gz UUJYDNLVEJLSLB-IEZWGBDMSA-N 1 3 331.460 3.285 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN(C)C ZINC000425935399 457655235 /nfs/dbraw/zinc/65/52/35/457655235.db2.gz DCVPLZFCQJRWCW-UONOGXRCSA-N 1 3 325.478 3.253 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH+](C)C ZINC000425935399 457655240 /nfs/dbraw/zinc/65/52/40/457655240.db2.gz DCVPLZFCQJRWCW-UONOGXRCSA-N 1 3 325.478 3.253 20 5 EGBDHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369946 458123096 /nfs/dbraw/zinc/12/30/96/458123096.db2.gz GVPLOVIVPVINJF-CHWSQXEVSA-N 1 3 331.441 3.492 20 5 EGBDHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374015 458124495 /nfs/dbraw/zinc/12/44/95/458124495.db2.gz PAAOFCJLAFHTRR-JSGCOSHPSA-N 1 3 331.441 3.492 20 5 EGBDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580197 458314485 /nfs/dbraw/zinc/31/44/85/458314485.db2.gz NNHLEIHVQYSXIH-HZPDHXFCSA-N 1 3 349.479 3.128 20 5 EGBDHO [NH3+]CCC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000577956387 459123829 /nfs/dbraw/zinc/12/38/29/459123829.db2.gz AIWCZQNQYOUAFO-UHFFFAOYSA-N 1 3 329.400 3.416 20 5 EGBDHO O=[N+]([O-])c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cs1 ZINC000594969542 459199797 /nfs/dbraw/zinc/19/97/97/459199797.db2.gz QIPWHWNURKJSCU-UHFFFAOYSA-N 1 3 346.456 3.053 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580611 1304174041 /nfs/dbraw/zinc/17/40/41/1304174041.db2.gz XFRVAFYMWSQFIT-IBGZPJMESA-N 1 3 349.475 3.072 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580611 1304174046 /nfs/dbraw/zinc/17/40/46/1304174046.db2.gz XFRVAFYMWSQFIT-IBGZPJMESA-N 1 3 349.475 3.072 20 5 EGBDHO CSC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC000810171155 1317968296 /nfs/dbraw/zinc/96/82/96/1317968296.db2.gz VJVOKXNSOINWHD-UHFFFAOYSA-N 1 3 343.880 3.165 20 5 EGBDHO C[NH+]1CCC(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811478708 1318182630 /nfs/dbraw/zinc/18/26/30/1318182630.db2.gz NGUFAQQEXGFVGU-UHFFFAOYSA-N 1 3 332.231 3.333 20 5 EGBDHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049140 1384100615 /nfs/dbraw/zinc/10/06/15/1384100615.db2.gz VZMXLPZCCOBEHL-QFBILLFUSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049140 1384100617 /nfs/dbraw/zinc/10/06/17/1384100617.db2.gz VZMXLPZCCOBEHL-QFBILLFUSA-N 1 3 349.450 3.167 20 5 EGBDHO CCCN(CCC[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353808 1384299088 /nfs/dbraw/zinc/29/90/88/1384299088.db2.gz FIPWDGPVXGVRKA-OAHLLOKOSA-N 1 3 337.464 3.198 20 5 EGBDHO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924387 153266908 /nfs/dbraw/zinc/26/69/08/153266908.db2.gz VRYKOXNVMSIIQQ-GOSISDBHSA-N 1 3 325.412 3.207 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218634 309391052 /nfs/dbraw/zinc/39/10/52/309391052.db2.gz SDGXKYCVZGZDLA-SOUVJXGZSA-N 1 3 337.489 3.443 20 5 EGBDHO CCOc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423432857 309400183 /nfs/dbraw/zinc/40/01/83/309400183.db2.gz JMBAOVJRXPSOIM-VBNZEHGJSA-N 1 3 333.432 3.032 20 5 EGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449101612 310037158 /nfs/dbraw/zinc/03/71/58/310037158.db2.gz FYYISUNYANEUIZ-YESZJQIVSA-N 1 3 349.475 3.005 20 5 EGBDHO CC[NH+](CC)CCO[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030514 311130280 /nfs/dbraw/zinc/13/02/80/311130280.db2.gz LVRNYVNYTPLMKS-AEFFLSMTSA-N 1 3 349.475 3.397 20 5 EGBDHO CC[N@@H+]1CC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431168 458854423 /nfs/dbraw/zinc/85/44/23/458854423.db2.gz BBEQUAKWYCWIBD-WFASDCNBSA-N 1 3 325.840 3.111 20 5 EGBDHO CC[N@H+]1CC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431168 458854426 /nfs/dbraw/zinc/85/44/26/458854426.db2.gz BBEQUAKWYCWIBD-WFASDCNBSA-N 1 3 325.840 3.111 20 5 EGBDHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046374 1384100274 /nfs/dbraw/zinc/10/02/74/1384100274.db2.gz LNHRGAQQGKTICD-APWZRJJASA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046374 1384100276 /nfs/dbraw/zinc/10/02/76/1384100276.db2.gz LNHRGAQQGKTICD-APWZRJJASA-N 1 3 349.450 3.167 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246840479 141038154 /nfs/dbraw/zinc/03/81/54/141038154.db2.gz ORESVFSAKUYRPP-LPHOPBHVSA-N 1 3 329.444 3.086 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246840479 141038156 /nfs/dbraw/zinc/03/81/56/141038156.db2.gz ORESVFSAKUYRPP-LPHOPBHVSA-N 1 3 329.444 3.086 20 5 EGBDHO COc1ccc([C@@H](CN)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403508 309286616 /nfs/dbraw/zinc/28/66/16/309286616.db2.gz LAMZUWNWJBASNI-PBHICJAKSA-N 1 3 343.427 3.305 20 5 EGBDHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCNC1 ZINC000423221155 309390978 /nfs/dbraw/zinc/39/09/78/309390978.db2.gz WLFZSIRBCLKXEL-CIRFHOKZSA-N 1 3 331.460 3.284 20 5 EGBDHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296682 309685111 /nfs/dbraw/zinc/68/51/11/309685111.db2.gz SYSXTQDWIXSSEF-QAPCUYQASA-N 1 3 349.475 3.264 20 5 EGBDHO CC[C@H]([NH2+]CCCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154503185 454902184 /nfs/dbraw/zinc/90/21/84/454902184.db2.gz XAVZIXPJDBAXEW-IBGZPJMESA-N 1 3 348.491 3.053 20 5 EGBDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245468230 455309409 /nfs/dbraw/zinc/30/94/09/455309409.db2.gz SUAGQLDGADRDOI-OWCLPIDISA-N 1 3 335.448 3.135 20 5 EGBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000246943903 455537671 /nfs/dbraw/zinc/53/76/71/455537671.db2.gz GZPIOFKOJAAJIY-RCCFBDPRSA-N 1 3 331.460 3.378 20 5 EGBDHO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185694430 455598705 /nfs/dbraw/zinc/59/87/05/455598705.db2.gz WRWMVJQZFFWTNS-WBVHZDCISA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694430 455598706 /nfs/dbraw/zinc/59/87/06/455598706.db2.gz WRWMVJQZFFWTNS-WBVHZDCISA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694430 455598707 /nfs/dbraw/zinc/59/87/07/455598707.db2.gz WRWMVJQZFFWTNS-WBVHZDCISA-N 1 3 331.460 3.380 20 5 EGBDHO CN1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873365 455794795 /nfs/dbraw/zinc/79/47/95/455794795.db2.gz NKBNYZCSAKTSNC-WMZOPIPTSA-N 1 3 329.444 3.158 20 5 EGBDHO C[NH+]1CCC([C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000290574208 456369991 /nfs/dbraw/zinc/36/99/91/456369991.db2.gz UANRJTBIDHEGCM-JXTAAOLFSA-N 1 3 329.444 3.272 20 5 EGBDHO CN1CCCC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070098 460150159 /nfs/dbraw/zinc/15/01/59/460150159.db2.gz KUODJMAQTKOPFQ-QAPCUYQASA-N 1 3 331.460 3.237 20 5 EGBDHO CN1CC2(C1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232225799 1376419847 /nfs/dbraw/zinc/41/98/47/1376419847.db2.gz PSSXDFCWIWQQCQ-UHFFFAOYSA-N 1 3 332.451 3.311 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260265 168099400 /nfs/dbraw/zinc/09/94/00/168099400.db2.gz QTZNYVLWZIFWEZ-SQNIBIBYSA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260265 168099403 /nfs/dbraw/zinc/09/94/03/168099403.db2.gz QTZNYVLWZIFWEZ-SQNIBIBYSA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[C@H]2CCC[NH2+]2)o1 ZINC000414962234 309111748 /nfs/dbraw/zinc/11/17/48/309111748.db2.gz BWRKAGBEQPEABL-AWEZNQCLSA-N 1 3 329.400 3.477 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)o2)cc1 ZINC000415009311 309114140 /nfs/dbraw/zinc/11/41/40/309114140.db2.gz NVVZGYBBWOOLQI-ZWKOTPCHSA-N 1 3 341.411 3.333 20 5 EGBDHO COc1ccc([C@H](CN)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403513 309286763 /nfs/dbraw/zinc/28/67/63/309286763.db2.gz LAMZUWNWJBASNI-RHSMWYFYSA-N 1 3 343.427 3.305 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000449101611 310037247 /nfs/dbraw/zinc/03/72/47/310037247.db2.gz FYYISUNYANEUIZ-IKGGRYGDSA-N 1 3 349.475 3.005 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CC[NH+](C)C ZINC000504900509 312012022 /nfs/dbraw/zinc/01/20/22/312012022.db2.gz ZBSWBLULFDKUBR-KGLIPLIRSA-N 1 3 325.478 3.395 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000600678629 460566669 /nfs/dbraw/zinc/56/66/69/460566669.db2.gz NQXPYVYMTIZHNL-QILLFSRXSA-N 1 3 329.444 3.180 20 5 EGBDHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000162854769 454804742 /nfs/dbraw/zinc/80/47/42/454804742.db2.gz OYSIRHURNKFESV-IXDOHACOSA-N 1 3 349.475 3.443 20 5 EGBDHO CCOc1ccc([C@H](C)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153604018 454811676 /nfs/dbraw/zinc/81/16/76/454811676.db2.gz IBAVDHDBGSDTMG-AWEZNQCLSA-N 1 3 335.448 3.376 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039635 454929441 /nfs/dbraw/zinc/92/94/41/454929441.db2.gz OCPBTNRUOPHABC-XHSDSOJGSA-N 1 3 335.448 3.135 20 5 EGBDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873362 455795007 /nfs/dbraw/zinc/79/50/07/455795007.db2.gz NKBNYZCSAKTSNC-SJLPKXTDSA-N 1 3 329.444 3.158 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000595001157 459211782 /nfs/dbraw/zinc/21/17/82/459211782.db2.gz RVWBKRPJBKUQEC-UHFFFAOYSA-N 1 3 347.459 3.205 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433672 459599787 /nfs/dbraw/zinc/59/97/87/459599787.db2.gz PEXDCNMOCBTFAM-HOTGVXAUSA-N 1 3 347.459 3.205 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127257 1321474272 /nfs/dbraw/zinc/47/42/72/1321474272.db2.gz PCPIFSKDNDETND-LSDHHAIUSA-N 1 3 337.851 3.460 20 5 EGBDHO N=C(NCCCC[NH3+])Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001157097412 1380775173 /nfs/dbraw/zinc/77/51/73/1380775173.db2.gz VWHOYORJUWKVCI-UHFFFAOYSA-N 1 3 342.834 3.112 20 5 EGBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H](N)CCC[NH3+] ZINC001160735738 1382181801 /nfs/dbraw/zinc/18/18/01/1382181801.db2.gz YFRYRAMIXTWTQC-FQEVSTJZSA-N 1 3 335.451 3.018 20 5 EGBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904022 1384874575 /nfs/dbraw/zinc/87/45/75/1384874575.db2.gz VEDOKFFWDHEDLD-RCCFBDPRSA-N 1 3 331.460 3.305 20 5 EGBDHO Cc1c(C[NH2+]C2CCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000336880608 163086959 /nfs/dbraw/zinc/08/69/59/163086959.db2.gz RDUMYNJBYISYEG-UHFFFAOYSA-N 1 3 326.400 3.057 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000414670814 309094639 /nfs/dbraw/zinc/09/46/39/309094639.db2.gz NAVKNEBUQHJFKF-DAXOMENPSA-N 1 3 343.452 3.492 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2nc(CNCCC[C@@H]3CCC[NH2+]3)cs2)c1 ZINC000414969099 309112170 /nfs/dbraw/zinc/11/21/70/309112170.db2.gz IRLMXONFDDNOEE-CQSZACIVSA-N 1 3 346.456 3.340 20 5 EGBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318904 309201465 /nfs/dbraw/zinc/20/14/65/309201465.db2.gz ZQXNPBPZHIUACP-HKUYNNGSSA-N 1 3 349.475 3.309 20 5 EGBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047108 309382728 /nfs/dbraw/zinc/38/27/28/309382728.db2.gz UVCPBYFGQIAHED-LLVKDONJSA-N 1 3 348.834 3.304 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218632 309390958 /nfs/dbraw/zinc/39/09/58/309390958.db2.gz SDGXKYCVZGZDLA-RBSFLKMASA-N 1 3 337.489 3.443 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000449222967 310045820 /nfs/dbraw/zinc/04/58/20/310045820.db2.gz XJZNSAJAZUGMJB-OAHLLOKOSA-N 1 3 327.428 3.377 20 5 EGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1CC[NH+](C2CC2)CC1 ZINC000595052437 459229166 /nfs/dbraw/zinc/22/91/66/459229166.db2.gz WVLYWCBLSYLZEK-ZDUSSCGKSA-N 1 3 333.432 3.128 20 5 EGBDHO CCC[C@H](NC1CC[NH+](CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856062 528213291 /nfs/dbraw/zinc/21/32/91/528213291.db2.gz VPLYAYWVNSKDPL-SFHVURJKSA-N 1 3 335.448 3.136 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000346848814 156162458 /nfs/dbraw/zinc/16/24/58/156162458.db2.gz RLMORLSAEQEMGL-ZTFGCOKTSA-N 1 3 341.411 3.414 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000414669466 309094696 /nfs/dbraw/zinc/09/46/96/309094696.db2.gz KOASZKSHRQENJV-KBRIMQKVSA-N 1 3 343.452 3.492 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858822 314150370 /nfs/dbraw/zinc/15/03/70/314150370.db2.gz SIEDCJJGNUDLLX-IXDOHACOSA-N 1 3 349.475 3.443 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000468653410 458529936 /nfs/dbraw/zinc/52/99/36/458529936.db2.gz OVFLZRQMZIEQAX-PTNGSMBKSA-N 1 3 329.444 3.462 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736237 459967414 /nfs/dbraw/zinc/96/74/14/459967414.db2.gz KHQKOXUBOXQTHN-GGXPGOJBSA-N 1 3 347.459 3.183 20 5 EGBDHO CC[NH+](CC)CCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602587189 460012000 /nfs/dbraw/zinc/01/20/00/460012000.db2.gz PKRQDLAVHKKMKR-ZDUSSCGKSA-N 1 3 334.420 3.336 20 5 EGBDHO Cc1c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037415 533942973 /nfs/dbraw/zinc/94/29/73/533942973.db2.gz YLUZKVIDHRSCHL-HLLBOEOZSA-N 1 3 349.475 3.443 20 5 EGBDHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865310 528596074 /nfs/dbraw/zinc/59/60/74/528596074.db2.gz UGUSMMHSVRWPLY-ZIAGYGMSSA-N 1 3 333.432 3.128 20 5 EGBDHO CCC[C@@H](NC1CC[NH+](CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856160 529003417 /nfs/dbraw/zinc/00/34/17/529003417.db2.gz VPLYAYWVNSKDPL-GOSISDBHSA-N 1 3 335.448 3.136 20 5 EGBDHO C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@@H](O)CN ZINC000841091858 1321217200 /nfs/dbraw/zinc/21/72/00/1321217200.db2.gz HTXNSVAGKAPSTF-ZDUSSCGKSA-N 1 3 328.843 3.398 20 5 EGBDHO C[N@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@@H](O)CN ZINC000841091858 1321217204 /nfs/dbraw/zinc/21/72/04/1321217204.db2.gz HTXNSVAGKAPSTF-ZDUSSCGKSA-N 1 3 328.843 3.398 20 5 EGBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904019 1384874664 /nfs/dbraw/zinc/87/46/64/1384874664.db2.gz VEDOKFFWDHEDLD-FGTMMUONSA-N 1 3 331.460 3.305 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000414669471 309094672 /nfs/dbraw/zinc/09/46/72/309094672.db2.gz KOASZKSHRQENJV-XOKHGSTOSA-N 1 3 343.452 3.492 20 5 EGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399046 309398555 /nfs/dbraw/zinc/39/85/55/309398555.db2.gz UMUVCDPFZMCNOV-CQSZACIVSA-N 1 3 325.412 3.309 20 5 EGBDHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134657 458407594 /nfs/dbraw/zinc/40/75/94/458407594.db2.gz REQXWBQRBJRBBE-LJQANCHMSA-N 1 3 341.411 3.382 20 5 EGBDHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134657 458407597 /nfs/dbraw/zinc/40/75/97/458407597.db2.gz REQXWBQRBJRBBE-LJQANCHMSA-N 1 3 341.411 3.382 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432369821 458726850 /nfs/dbraw/zinc/72/68/50/458726850.db2.gz XIAQUSKELMGPSC-MOKGIYGOSA-N 1 3 347.459 3.089 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432369821 458726853 /nfs/dbraw/zinc/72/68/53/458726853.db2.gz XIAQUSKELMGPSC-MOKGIYGOSA-N 1 3 347.459 3.089 20 5 EGBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000895473960 1309356355 /nfs/dbraw/zinc/35/63/55/1309356355.db2.gz RULYCWVARJJJGE-UHFFFAOYSA-N 1 3 337.851 3.460 20 5 EGBDHO O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000838979212 1320846301 /nfs/dbraw/zinc/84/63/01/1320846301.db2.gz AMHWSTMOWIGQEJ-UHFFFAOYSA-N 1 3 346.818 3.402 20 5 EGBDHO CN1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268540925 252007157 /nfs/dbraw/zinc/00/71/57/252007157.db2.gz KWRLTHKBTWWYKK-MRXNPFEDSA-N 1 3 347.459 3.312 20 5 EGBDHO CCOc1ccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195402 309066292 /nfs/dbraw/zinc/06/62/92/309066292.db2.gz UUSOJPOZHOJYRC-GJZGRUSLSA-N 1 3 335.448 3.376 20 5 EGBDHO CCOc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195402 309066293 /nfs/dbraw/zinc/06/62/93/309066293.db2.gz UUSOJPOZHOJYRC-GJZGRUSLSA-N 1 3 335.448 3.376 20 5 EGBDHO CC[NH+](CC)CCOCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433225451 309682813 /nfs/dbraw/zinc/68/28/13/309682813.db2.gz BTKICJXWYTVSNP-GOSISDBHSA-N 1 3 349.475 3.265 20 5 EGBDHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297404098 456211562 /nfs/dbraw/zinc/21/15/62/456211562.db2.gz KRJREEUPZAVUEP-AWEZNQCLSA-N 1 3 326.400 3.309 20 5 EGBDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162851 456803159 /nfs/dbraw/zinc/80/31/59/456803159.db2.gz ZIRQDKOCVRFGLR-QGZVFWFLSA-N 1 3 348.491 3.005 20 5 EGBDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162851 456803163 /nfs/dbraw/zinc/80/31/63/456803163.db2.gz ZIRQDKOCVRFGLR-QGZVFWFLSA-N 1 3 348.491 3.005 20 5 EGBDHO C[C@H]([NH3+])C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347114517 457237188 /nfs/dbraw/zinc/23/71/88/457237188.db2.gz TYCXJWSWNOSWNP-ZDUSSCGKSA-N 1 3 329.400 3.414 20 5 EGBDHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374017 458124784 /nfs/dbraw/zinc/12/47/84/458124784.db2.gz PAAOFCJLAFHTRR-TZMCWYRMSA-N 1 3 331.441 3.492 20 5 EGBDHO CN(C)C1(CNc2cc3cccnc3c3ncccc23)CC[NH+](C)CC1 ZINC001164213593 1383166778 /nfs/dbraw/zinc/16/67/78/1383166778.db2.gz XPWVWMPLORTNQR-UHFFFAOYSA-N 1 3 349.482 3.221 20 5 EGBDHO COc1ccc(C[C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307593 1384287235 /nfs/dbraw/zinc/28/72/35/1384287235.db2.gz HWVSWCMQCWLLRE-HOTGVXAUSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307593 1384287239 /nfs/dbraw/zinc/28/72/39/1384287239.db2.gz HWVSWCMQCWLLRE-HOTGVXAUSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307593 1384287245 /nfs/dbraw/zinc/28/72/45/1384287245.db2.gz HWVSWCMQCWLLRE-HOTGVXAUSA-N 1 3 349.475 3.389 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000346848813 156163146 /nfs/dbraw/zinc/16/31/46/156163146.db2.gz RLMORLSAEQEMGL-JCGIZDLHSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368843 458120718 /nfs/dbraw/zinc/12/07/18/458120718.db2.gz CESIZNXTLUBVFU-QWHCGFSZSA-N 1 3 331.441 3.492 20 5 EGBDHO CN1CCCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070097 460150442 /nfs/dbraw/zinc/15/04/42/460150442.db2.gz KUODJMAQTKOPFQ-MAUKXSAKSA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393430 1330106144 /nfs/dbraw/zinc/10/61/44/1330106144.db2.gz OEBAPHCGUBDWBN-GDBMZVCRSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393430 1330106147 /nfs/dbraw/zinc/10/61/47/1330106147.db2.gz OEBAPHCGUBDWBN-GDBMZVCRSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000866393430 1330106149 /nfs/dbraw/zinc/10/61/49/1330106149.db2.gz OEBAPHCGUBDWBN-GDBMZVCRSA-N 1 3 349.450 3.377 20 5 EGBDHO Cc1c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961475 223376801 /nfs/dbraw/zinc/37/68/01/223376801.db2.gz SHFABLLCWMPKEU-HOTGVXAUSA-N 1 3 347.459 3.055 20 5 EGBDHO COCC[N@H+](C)CCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122190939 152396289 /nfs/dbraw/zinc/39/62/89/152396289.db2.gz JBHRCDZZSTUGLY-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122190939 152396291 /nfs/dbraw/zinc/39/62/91/152396291.db2.gz JBHRCDZZSTUGLY-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185692870 455597980 /nfs/dbraw/zinc/59/79/80/455597980.db2.gz YOPNAVZWRRSZGT-JKSUJKDBSA-N 1 3 347.459 3.216 20 5 EGBDHO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447607376 458321555 /nfs/dbraw/zinc/32/15/55/458321555.db2.gz RTKSIVXQITXMDO-IXDOHACOSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@H](CCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607376 458321560 /nfs/dbraw/zinc/32/15/60/458321560.db2.gz RTKSIVXQITXMDO-IXDOHACOSA-N 1 3 349.479 3.129 20 5 EGBDHO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1CC[NH+](CC2CC2)CC1 ZINC000595105065 459246599 /nfs/dbraw/zinc/24/65/99/459246599.db2.gz WMVVQTWAJRRNSH-AWEZNQCLSA-N 1 3 347.459 3.376 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000591582324 459407211 /nfs/dbraw/zinc/40/72/11/459407211.db2.gz IKBBSUKDGJNHHG-DLBZAZTESA-N 1 3 329.444 3.180 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582324 459407215 /nfs/dbraw/zinc/40/72/15/459407215.db2.gz IKBBSUKDGJNHHG-DLBZAZTESA-N 1 3 329.444 3.180 20 5 EGBDHO C[N@@H+]1CCC[C@H](CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687347 460067465 /nfs/dbraw/zinc/06/74/65/460067465.db2.gz KEFXNBAHUHMLPE-GFCCVEGCSA-N 1 3 345.365 3.435 20 5 EGBDHO C[N@H+]1CCC[C@H](CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687347 460067467 /nfs/dbraw/zinc/06/74/67/460067467.db2.gz KEFXNBAHUHMLPE-GFCCVEGCSA-N 1 3 345.365 3.435 20 5 EGBDHO O[C@@H]1CNCC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475813 1372362482 /nfs/dbraw/zinc/36/24/82/1372362482.db2.gz PFSPTQZLZMUZQG-CQSZACIVSA-N 1 3 340.854 3.413 20 5 EGBDHO O[C@@H]1CNCC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475813 1372362484 /nfs/dbraw/zinc/36/24/84/1372362484.db2.gz PFSPTQZLZMUZQG-CQSZACIVSA-N 1 3 340.854 3.413 20 5 EGBDHO C[NH+]1CCC2(CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366949364 168160352 /nfs/dbraw/zinc/16/03/52/168160352.db2.gz AQXGKLPHOPWZLK-QPJJXVBHSA-N 1 3 329.444 3.416 20 5 EGBDHO CCOc1ccc([C@@H](C)NCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000515189341 312270295 /nfs/dbraw/zinc/27/02/95/312270295.db2.gz QLVBCYPOEGYHRH-CQSZACIVSA-N 1 3 335.448 3.376 20 5 EGBDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603608 456009591 /nfs/dbraw/zinc/00/95/91/456009591.db2.gz JJFXWXPFVPOYIG-JMSVASOKSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603608 456009596 /nfs/dbraw/zinc/00/95/96/456009596.db2.gz JJFXWXPFVPOYIG-JMSVASOKSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185736376 455609901 /nfs/dbraw/zinc/60/99/01/455609901.db2.gz IOKGLUOUZZYFFJ-CVEARBPZSA-N 1 3 347.459 3.216 20 5 EGBDHO COc1ccc(-c2ccc(CN3CCC(C[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000435397589 458137252 /nfs/dbraw/zinc/13/72/52/458137252.db2.gz ICUZCBFNVXAIFT-UHFFFAOYSA-N 1 3 345.399 3.034 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432369824 458726436 /nfs/dbraw/zinc/72/64/36/458726436.db2.gz XIAQUSKELMGPSC-WBILKINKSA-N 1 3 347.459 3.089 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432369824 458726440 /nfs/dbraw/zinc/72/64/40/458726440.db2.gz XIAQUSKELMGPSC-WBILKINKSA-N 1 3 347.459 3.089 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433713 459599979 /nfs/dbraw/zinc/59/99/79/459599979.db2.gz PPLXAVZENZHAKO-PUZHUATGSA-N 1 3 329.444 3.320 20 5 EGBDHO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000618798350 460180747 /nfs/dbraw/zinc/18/07/47/460180747.db2.gz SDTJSEOHETYENT-LLVKDONJSA-N 1 3 345.365 3.434 20 5 EGBDHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000187012796 528669565 /nfs/dbraw/zinc/66/95/65/528669565.db2.gz QFSXZIROJOVLEI-QAPCUYQASA-N 1 3 349.475 3.130 20 5 EGBDHO C[NH+]1C(C)(C)CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1(C)C ZINC001170450629 1384322177 /nfs/dbraw/zinc/32/21/77/1384322177.db2.gz DEGVAKIQWNPUDS-UHFFFAOYSA-N 1 3 332.448 3.261 20 5 EGBDHO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192924401 153265932 /nfs/dbraw/zinc/26/59/32/153265932.db2.gz VRYKOXNVMSIIQQ-SFHVURJKSA-N 1 3 325.412 3.207 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000346852149 156164915 /nfs/dbraw/zinc/16/49/15/156164915.db2.gz WKFMKWYTOXHFMW-IAOVAPTHSA-N 1 3 327.384 3.024 20 5 EGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000449062056 310033909 /nfs/dbraw/zinc/03/39/09/310033909.db2.gz KTDUDZXUTBKEID-HNNXBMFYSA-N 1 3 327.428 3.377 20 5 EGBDHO CCC[NH+]1CCC(N(C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111241054 454858863 /nfs/dbraw/zinc/85/88/63/454858863.db2.gz MNQSFDQROHJWMH-UHFFFAOYSA-N 1 3 335.448 3.170 20 5 EGBDHO CCc1ccc([C@@H](NCC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000582481439 459372264 /nfs/dbraw/zinc/37/22/64/459372264.db2.gz DLRLVBVDJPQVBJ-IBGZPJMESA-N 1 3 343.427 3.429 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000591582327 459407830 /nfs/dbraw/zinc/40/78/30/459407830.db2.gz IKBBSUKDGJNHHG-SJORKVTESA-N 1 3 329.444 3.180 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582327 459407833 /nfs/dbraw/zinc/40/78/33/459407833.db2.gz IKBBSUKDGJNHHG-SJORKVTESA-N 1 3 329.444 3.180 20 5 EGBDHO NC[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001206474590 1371065935 /nfs/dbraw/zinc/06/59/35/1371065935.db2.gz GGZLPTFPIWBHGD-MGPUTAFESA-N 1 3 346.430 3.442 20 5 EGBDHO NC[C@H]1C[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001206474590 1371065941 /nfs/dbraw/zinc/06/59/41/1371065941.db2.gz GGZLPTFPIWBHGD-MGPUTAFESA-N 1 3 346.430 3.442 20 5 EGBDHO CCN(C)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912931 1384876550 /nfs/dbraw/zinc/87/65/50/1384876550.db2.gz MTTKEQBDNRKYMU-GOSISDBHSA-N 1 3 331.460 3.258 20 5 EGBDHO CCN(C)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912933 1384877205 /nfs/dbraw/zinc/87/72/05/1384877205.db2.gz MTTKEQBDNRKYMU-SFHVURJKSA-N 1 3 331.460 3.258 20 5 EGBDHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298437439 132390918 /nfs/dbraw/zinc/39/09/18/132390918.db2.gz NFRKGRYASWVMDR-CQSZACIVSA-N 1 3 326.400 3.309 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000346836761 156159081 /nfs/dbraw/zinc/15/90/81/156159081.db2.gz VOBVDRLQLHLROF-ZTFGCOKTSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC000423221156 309391104 /nfs/dbraw/zinc/39/11/04/309391104.db2.gz WLFZSIRBCLKXEL-CWLKWCNXSA-N 1 3 331.460 3.284 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])CC(C)C ZINC000423257851 309392709 /nfs/dbraw/zinc/39/27/09/309392709.db2.gz AIPQDTPDFDRUKU-UONOGXRCSA-N 1 3 325.478 3.429 20 5 EGBDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000162855117 454804749 /nfs/dbraw/zinc/80/47/49/454804749.db2.gz OYSIRHURNKFESV-ZACQAIPSSA-N 1 3 349.475 3.443 20 5 EGBDHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374016 458124061 /nfs/dbraw/zinc/12/40/61/458124061.db2.gz PAAOFCJLAFHTRR-OCCSQVGLSA-N 1 3 331.441 3.492 20 5 EGBDHO Cc1c(CN2CCCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000602845422 460155331 /nfs/dbraw/zinc/15/53/31/460155331.db2.gz KSXSMSUDGLYWMP-UHFFFAOYSA-N 1 3 326.400 3.011 20 5 EGBDHO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC([NH3+])CC1 ZINC000843054746 1321462759 /nfs/dbraw/zinc/46/27/59/1321462759.db2.gz FJVWKTYBRHAMTL-UHFFFAOYSA-N 1 3 346.456 3.420 20 5 EGBDHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1 ZINC000423221154 309390976 /nfs/dbraw/zinc/39/09/76/309390976.db2.gz WLFZSIRBCLKXEL-BURFUSLBSA-N 1 3 331.460 3.284 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)CC[NH+](C)C ZINC000504900511 312012135 /nfs/dbraw/zinc/01/21/35/312012135.db2.gz ZBSWBLULFDKUBR-ZIAGYGMSSA-N 1 3 325.478 3.395 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134932068 454611360 /nfs/dbraw/zinc/61/13/60/454611360.db2.gz ORESVFSAKUYRPP-APWZRJJASA-N 1 3 329.444 3.086 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134932068 454611362 /nfs/dbraw/zinc/61/13/62/454611362.db2.gz ORESVFSAKUYRPP-APWZRJJASA-N 1 3 329.444 3.086 20 5 EGBDHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000162520039 454781237 /nfs/dbraw/zinc/78/12/37/454781237.db2.gz OAYXEAPDXLMXQG-OAHLLOKOSA-N 1 3 343.427 3.386 20 5 EGBDHO CN1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873359 455794892 /nfs/dbraw/zinc/79/48/92/455794892.db2.gz NKBNYZCSAKTSNC-FUHWJXTLSA-N 1 3 329.444 3.158 20 5 EGBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296681 457802715 /nfs/dbraw/zinc/80/27/15/457802715.db2.gz SYSXTQDWIXSSEF-MAUKXSAKSA-N 1 3 349.475 3.264 20 5 EGBDHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373701 458124553 /nfs/dbraw/zinc/12/45/53/458124553.db2.gz OCQDKMOWLQFUAC-STQMWFEESA-N 1 3 331.441 3.492 20 5 EGBDHO [NH3+]C1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000843103759 1321470374 /nfs/dbraw/zinc/47/03/74/1321470374.db2.gz CBKNLSPEIBPRFK-UHFFFAOYSA-N 1 3 332.429 3.078 20 5 EGBDHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030343 1384094419 /nfs/dbraw/zinc/09/44/19/1384094419.db2.gz YXZDQJHTPKXTLT-AZUAARDMSA-N 1 3 345.487 3.418 20 5 EGBDHO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192926078 153268380 /nfs/dbraw/zinc/26/83/80/153268380.db2.gz ALWXCKXOTZJGPX-SFHVURJKSA-N 1 3 325.412 3.207 20 5 EGBDHO CCOc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367201021 168192331 /nfs/dbraw/zinc/19/23/31/168192331.db2.gz QQBIACCAASCOFY-UHFFFAOYSA-N 1 3 347.459 3.301 20 5 EGBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000161013797 307897333 /nfs/dbraw/zinc/89/73/33/307897333.db2.gz GZPIOFKOJAAJIY-KURKYZTESA-N 1 3 331.460 3.378 20 5 EGBDHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247169514 307990352 /nfs/dbraw/zinc/99/03/52/307990352.db2.gz YLUZKVIDHRSCHL-ZOBUZTSGSA-N 1 3 349.475 3.443 20 5 EGBDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506510 458301138 /nfs/dbraw/zinc/30/11/38/458301138.db2.gz CXYMHJRXORGIII-IKGGRYGDSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506510 458301146 /nfs/dbraw/zinc/30/11/46/458301146.db2.gz CXYMHJRXORGIII-IKGGRYGDSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506510 458301155 /nfs/dbraw/zinc/30/11/55/458301155.db2.gz CXYMHJRXORGIII-IKGGRYGDSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527045 458452762 /nfs/dbraw/zinc/45/27/62/458452762.db2.gz LYKDCHQMZMJMFI-YEVHIBAUSA-N 1 3 343.471 3.269 20 5 EGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423527045 458452768 /nfs/dbraw/zinc/45/27/68/458452768.db2.gz LYKDCHQMZMJMFI-YEVHIBAUSA-N 1 3 343.471 3.269 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432369822 458726269 /nfs/dbraw/zinc/72/62/69/458726269.db2.gz XIAQUSKELMGPSC-NWNNTGRJSA-N 1 3 347.459 3.089 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432369822 458726275 /nfs/dbraw/zinc/72/62/75/458726275.db2.gz XIAQUSKELMGPSC-NWNNTGRJSA-N 1 3 347.459 3.089 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433710 459599995 /nfs/dbraw/zinc/59/99/95/459599995.db2.gz PPLXAVZENZHAKO-AEEZDXSHSA-N 1 3 329.444 3.320 20 5 EGBDHO CCOc1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947226 1319473105 /nfs/dbraw/zinc/47/31/05/1319473105.db2.gz AMJREOAANMCHIY-CQSZACIVSA-N 1 3 343.427 3.346 20 5 EGBDHO CCCC[N@H+](C)CCCN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297716 1384285052 /nfs/dbraw/zinc/28/50/52/1384285052.db2.gz QVSVUCYTDCVUBK-HNNXBMFYSA-N 1 3 337.464 3.246 20 5 EGBDHO CCCC[N@@H+](C)CCCN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297716 1384285055 /nfs/dbraw/zinc/28/50/55/1384285055.db2.gz QVSVUCYTDCVUBK-HNNXBMFYSA-N 1 3 337.464 3.246 20 5 EGBDHO [NH3+]C1(CC2CC2)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904635 1384875422 /nfs/dbraw/zinc/87/54/22/1384875422.db2.gz OZXZEKCSWYZJRF-SFHVURJKSA-N 1 3 343.471 3.436 20 5 EGBDHO Cc1c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961679 223377083 /nfs/dbraw/zinc/37/70/83/223377083.db2.gz SHFABLLCWMPKEU-HZPDHXFCSA-N 1 3 347.459 3.055 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000414670815 309094636 /nfs/dbraw/zinc/09/46/36/309094636.db2.gz NAVKNEBUQHJFKF-UHOFOFEASA-N 1 3 343.452 3.492 20 5 EGBDHO COc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415059678 309117452 /nfs/dbraw/zinc/11/74/52/309117452.db2.gz VJNYCCVFXYBLNO-MRXNPFEDSA-N 1 3 329.400 3.173 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322015 309281983 /nfs/dbraw/zinc/28/19/83/309281983.db2.gz DQPXWMJWFUEHGR-HOTGVXAUSA-N 1 3 347.459 3.204 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359841 455273001 /nfs/dbraw/zinc/27/30/01/455273001.db2.gz SUAGQLDGADRDOI-JYJNAYRXSA-N 1 3 335.448 3.135 20 5 EGBDHO CCCN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000151098767 454936777 /nfs/dbraw/zinc/93/67/77/454936777.db2.gz ZPWMWVNURYKUQA-QAPCUYQASA-N 1 3 331.460 3.237 20 5 EGBDHO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C1=CCN(C)CC1 ZINC001208909969 1371940656 /nfs/dbraw/zinc/94/06/56/1371940656.db2.gz LAUDJBJPCZHMJU-UHFFFAOYSA-N 1 3 348.450 3.431 20 5 EGBDHO CC1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C[C@@](C)(C[NH3+])C1 ZINC001169141945 1384112654 /nfs/dbraw/zinc/11/26/54/1384112654.db2.gz DYARZFUQCODACK-KBXCAEBGSA-N 1 3 332.448 3.154 20 5 EGBDHO CC[N+](C)(C)Cc1ccccc1N1CCCc2ccc(CN)nc21 ZINC001169592275 1384163275 /nfs/dbraw/zinc/16/32/75/1384163275.db2.gz JZPLKELQPNELGK-UHFFFAOYSA-N 1 3 325.480 3.221 20 5 EGBDHO N[C@@H](CCC[NH3+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170900980 1384407944 /nfs/dbraw/zinc/40/79/44/1384407944.db2.gz SKTCHJYJFUIYQJ-MRXNPFEDSA-N 1 3 332.429 3.182 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000414670813 309094777 /nfs/dbraw/zinc/09/47/77/309094777.db2.gz NAVKNEBUQHJFKF-APHBMKBZSA-N 1 3 343.452 3.492 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)o2)c1 ZINC000415014740 309114374 /nfs/dbraw/zinc/11/43/74/309114374.db2.gz XHIJNBQCYFRJDC-ZWKOTPCHSA-N 1 3 341.411 3.333 20 5 EGBDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275633 309393586 /nfs/dbraw/zinc/39/35/86/309393586.db2.gz MARUHEHAPUTAHW-DKIMLUQUSA-N 1 3 331.460 3.413 20 5 EGBDHO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCCC1 ZINC000165272102 454896601 /nfs/dbraw/zinc/89/66/01/454896601.db2.gz WRUHSBDFZNXZDS-CRAIPNDOSA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@H](CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165272102 454896605 /nfs/dbraw/zinc/89/66/05/454896605.db2.gz WRUHSBDFZNXZDS-CRAIPNDOSA-N 1 3 331.460 3.237 20 5 EGBDHO CCC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664848 455028777 /nfs/dbraw/zinc/02/87/77/455028777.db2.gz QNUXLMBBRGYVHH-QFBILLFUSA-N 1 3 348.491 3.052 20 5 EGBDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209184 457131311 /nfs/dbraw/zinc/13/13/11/457131311.db2.gz QKMLURYKTZASKX-NVXWUHKLSA-N 1 3 335.448 3.168 20 5 EGBDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209184 457131315 /nfs/dbraw/zinc/13/13/15/457131315.db2.gz QKMLURYKTZASKX-NVXWUHKLSA-N 1 3 335.448 3.168 20 5 EGBDHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369948 458122702 /nfs/dbraw/zinc/12/27/02/458122702.db2.gz GVPLOVIVPVINJF-OLZOCXBDSA-N 1 3 331.441 3.492 20 5 EGBDHO CN1CCCC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070099 460150082 /nfs/dbraw/zinc/15/00/82/460150082.db2.gz KUODJMAQTKOPFQ-YJBOKZPZSA-N 1 3 331.460 3.237 20 5 EGBDHO C[NH+]1CCC2(CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000798956505 1310462897 /nfs/dbraw/zinc/46/28/97/1310462897.db2.gz AQXGKLPHOPWZLK-DAXSKMNVSA-N 1 3 329.444 3.416 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127254 1321473994 /nfs/dbraw/zinc/47/39/94/1321473994.db2.gz PCPIFSKDNDETND-CABCVRRESA-N 1 3 337.851 3.460 20 5 EGBDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262008 1330087036 /nfs/dbraw/zinc/08/70/36/1330087036.db2.gz ZBVHAYIFKNUXIZ-HUUCEWRRSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262008 1330087038 /nfs/dbraw/zinc/08/70/38/1330087038.db2.gz ZBVHAYIFKNUXIZ-HUUCEWRRSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262008 1330087040 /nfs/dbraw/zinc/08/70/40/1330087040.db2.gz ZBVHAYIFKNUXIZ-HUUCEWRRSA-N 1 3 337.439 3.375 20 5 EGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001173215314 1384937753 /nfs/dbraw/zinc/93/77/53/1384937753.db2.gz UTEFHMVKJMFHNW-ZACQAIPSSA-N 1 3 333.476 3.483 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349127709 156360899 /nfs/dbraw/zinc/36/08/99/156360899.db2.gz JCDQWLGCBSFXNX-INIZCTEOSA-N 1 3 347.459 3.157 20 5 EGBDHO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH]c1C ZINC000886662638 1303544125 /nfs/dbraw/zinc/54/41/25/1303544125.db2.gz IODZDAFSPCUOCP-UHFFFAOYSA-N 1 3 332.379 3.453 20 5 EGBDHO COCC[N@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122114428 152390694 /nfs/dbraw/zinc/39/06/94/152390694.db2.gz VZMVQBXKFCNJGY-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122114428 152390695 /nfs/dbraw/zinc/39/06/95/152390695.db2.gz VZMVQBXKFCNJGY-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000192926062 153269277 /nfs/dbraw/zinc/26/92/77/153269277.db2.gz ALWXCKXOTZJGPX-GOSISDBHSA-N 1 3 325.412 3.207 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000414669463 309094661 /nfs/dbraw/zinc/09/46/61/309094661.db2.gz KOASZKSHRQENJV-IAOVAPTHSA-N 1 3 343.452 3.492 20 5 EGBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318905 309201470 /nfs/dbraw/zinc/20/14/70/309201470.db2.gz ZQXNPBPZHIUACP-IEBWSBKVSA-N 1 3 349.475 3.309 20 5 EGBDHO CCCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247250429 455579243 /nfs/dbraw/zinc/57/92/43/455579243.db2.gz ZPWMWVNURYKUQA-CRAIPNDOSA-N 1 3 331.460 3.237 20 5 EGBDHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133384 458408130 /nfs/dbraw/zinc/40/81/30/458408130.db2.gz NOJYKFMBUNXOTH-LJQANCHMSA-N 1 3 341.411 3.382 20 5 EGBDHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133384 458408135 /nfs/dbraw/zinc/40/81/35/458408135.db2.gz NOJYKFMBUNXOTH-LJQANCHMSA-N 1 3 341.411 3.382 20 5 EGBDHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCCNC1 ZINC000414918555 309109327 /nfs/dbraw/zinc/10/93/27/309109327.db2.gz UUJYDNLVEJLSLB-SUMDDJOVSA-N 1 3 331.460 3.285 20 5 EGBDHO [NH3+]CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435375175 309730151 /nfs/dbraw/zinc/73/01/51/309730151.db2.gz SSYMHIOXHXCXOC-UHFFFAOYSA-N 1 3 331.441 3.494 20 5 EGBDHO CC[NH+](CC)CCO[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030518 311130446 /nfs/dbraw/zinc/13/04/46/311130446.db2.gz LVRNYVNYTPLMKS-WMZOPIPTSA-N 1 3 349.475 3.397 20 5 EGBDHO O=[N+]([O-])c1cccc([C@H](N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581244 459406384 /nfs/dbraw/zinc/40/63/84/459406384.db2.gz OWZIZVVHGPAMLT-RBUKOAKNSA-N 1 3 337.423 3.416 20 5 EGBDHO [NH3+]CCC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000563232397 459744341 /nfs/dbraw/zinc/74/43/41/459744341.db2.gz XIOBEFXXASHFKQ-UHFFFAOYSA-N 1 3 329.400 3.416 20 5 EGBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001168996063 1384082249 /nfs/dbraw/zinc/08/22/49/1384082249.db2.gz URHYPPKLWAANQA-FUHWJXTLSA-N 1 3 349.450 3.073 20 5 EGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215311 1384937666 /nfs/dbraw/zinc/93/76/66/1384937666.db2.gz UTEFHMVKJMFHNW-BBWFWOEESA-N 1 3 333.476 3.483 20 5 EGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215311 1384937668 /nfs/dbraw/zinc/93/76/68/1384937668.db2.gz UTEFHMVKJMFHNW-BBWFWOEESA-N 1 3 333.476 3.483 20 5 EGBDHO C[NH+](C)CCCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000123132816 222221077 /nfs/dbraw/zinc/22/10/77/222221077.db2.gz AXXNLHYLDMLKBV-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO CCOc1ccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195399 309066234 /nfs/dbraw/zinc/06/62/34/309066234.db2.gz UUSOJPOZHOJYRC-CABCVRRESA-N 1 3 335.448 3.376 20 5 EGBDHO CCOc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195399 309066235 /nfs/dbraw/zinc/06/62/35/309066235.db2.gz UUSOJPOZHOJYRC-CABCVRRESA-N 1 3 335.448 3.376 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(C)CCC[NH2+]C1 ZINC000423349475 309396628 /nfs/dbraw/zinc/39/66/28/309396628.db2.gz VRQMOGMOHKNZLR-WMLDXEAASA-N 1 3 337.489 3.445 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000423349475 309396629 /nfs/dbraw/zinc/39/66/29/309396629.db2.gz VRQMOGMOHKNZLR-WMLDXEAASA-N 1 3 337.489 3.445 20 5 EGBDHO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185694374 455598588 /nfs/dbraw/zinc/59/85/88/455598588.db2.gz WRWMVJQZFFWTNS-DOTOQJQBSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694374 455598592 /nfs/dbraw/zinc/59/85/92/455598592.db2.gz WRWMVJQZFFWTNS-DOTOQJQBSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694374 455598596 /nfs/dbraw/zinc/59/85/96/455598596.db2.gz WRWMVJQZFFWTNS-DOTOQJQBSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185692906 455598716 /nfs/dbraw/zinc/59/87/16/455598716.db2.gz YOPNAVZWRRSZGT-HOTGVXAUSA-N 1 3 347.459 3.216 20 5 EGBDHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000578643111 459235637 /nfs/dbraw/zinc/23/56/37/459235637.db2.gz NOVNTGLJEJMDBG-DAYGRLMNSA-N 1 3 347.459 3.061 20 5 EGBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000578643114 459236434 /nfs/dbraw/zinc/23/64/34/459236434.db2.gz NOVNTGLJEJMDBG-RVKKMQEKSA-N 1 3 347.459 3.061 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433711 459599439 /nfs/dbraw/zinc/59/94/39/459599439.db2.gz PPLXAVZENZHAKO-LQIFBCGMSA-N 1 3 329.444 3.320 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000536858828 314150468 /nfs/dbraw/zinc/15/04/68/314150468.db2.gz SIEDCJJGNUDLLX-ULQDDVLXSA-N 1 3 349.475 3.443 20 5 EGBDHO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089513314 454158166 /nfs/dbraw/zinc/15/81/66/454158166.db2.gz MGONRJGSRJBDDM-OAHLLOKOSA-N 1 3 343.427 3.386 20 5 EGBDHO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C2CCC2)C1 ZINC000185723492 455606763 /nfs/dbraw/zinc/60/67/63/455606763.db2.gz UPZFKNOMHIPFLB-CVEARBPZSA-N 1 3 347.459 3.216 20 5 EGBDHO O[C@H]1CNCC[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475812 1372362394 /nfs/dbraw/zinc/36/23/94/1372362394.db2.gz PFSPTQZLZMUZQG-AWEZNQCLSA-N 1 3 340.854 3.413 20 5 EGBDHO O[C@H]1CNCC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475812 1372362396 /nfs/dbraw/zinc/36/23/96/1372362396.db2.gz PFSPTQZLZMUZQG-AWEZNQCLSA-N 1 3 340.854 3.413 20 5 EGBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001168996064 1384082286 /nfs/dbraw/zinc/08/22/86/1384082286.db2.gz URHYPPKLWAANQA-SJLPKXTDSA-N 1 3 349.450 3.073 20 5 EGBDHO Cc1cc(NCCCC[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413350405 309028224 /nfs/dbraw/zinc/02/82/24/309028224.db2.gz WIOPNEINFHMJGK-UHFFFAOYSA-N 1 3 328.416 3.160 20 5 EGBDHO Cc1cc(NCCCC[N@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000413350405 309028225 /nfs/dbraw/zinc/02/82/25/309028225.db2.gz WIOPNEINFHMJGK-UHFFFAOYSA-N 1 3 328.416 3.160 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@H]3CCC[NH2+]C3)o2)c1 ZINC000414855155 309105877 /nfs/dbraw/zinc/10/58/77/309105877.db2.gz VTASXLCEOFANMO-CQSZACIVSA-N 1 3 329.400 3.334 20 5 EGBDHO C[C@H](CCCC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415013854 309114420 /nfs/dbraw/zinc/11/44/20/309114420.db2.gz LHFFLNJJSOQNMB-GFCCVEGCSA-N 1 3 334.445 3.325 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CC[NH+](C)C ZINC000504900510 312012054 /nfs/dbraw/zinc/01/20/54/312012054.db2.gz ZBSWBLULFDKUBR-UONOGXRCSA-N 1 3 325.478 3.395 20 5 EGBDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249459034 455756405 /nfs/dbraw/zinc/75/64/05/455756405.db2.gz QFSXZIROJOVLEI-MAUKXSAKSA-N 1 3 349.475 3.130 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433667 459599512 /nfs/dbraw/zinc/59/95/12/459599512.db2.gz OOAILWWNNBQFCW-KGLIPLIRSA-N 1 3 337.851 3.460 20 5 EGBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000602532997 459987281 /nfs/dbraw/zinc/98/72/81/459987281.db2.gz MPGGBWLYIIFNQS-UHFFFAOYSA-N 1 3 331.460 3.382 20 5 EGBDHO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(CC3CCCC3)CC2)cc1 ZINC000602532997 459987286 /nfs/dbraw/zinc/98/72/86/459987286.db2.gz MPGGBWLYIIFNQS-UHFFFAOYSA-N 1 3 331.460 3.382 20 5 EGBDHO [NH3+]CCCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000843128632 1321474199 /nfs/dbraw/zinc/47/41/99/1321474199.db2.gz YSSCPAOSUSLYOM-UHFFFAOYSA-N 1 3 334.445 3.327 20 5 EGBDHO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133054745 529584802 /nfs/dbraw/zinc/58/48/02/529584802.db2.gz QJJTZOSCXIUCHU-KXBFYZLASA-N 1 3 347.459 3.136 20 5 EGBDHO C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089513313 217807310 /nfs/dbraw/zinc/80/73/10/217807310.db2.gz MGONRJGSRJBDDM-HNNXBMFYSA-N 1 3 343.427 3.386 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000346822087 156152358 /nfs/dbraw/zinc/15/23/58/156152358.db2.gz FDUPIZSKTFGOKH-RRQGHBQHSA-N 1 3 341.411 3.414 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@H]3CCC[NH2+]C3)o2)cc1 ZINC000414847233 309105291 /nfs/dbraw/zinc/10/52/91/309105291.db2.gz IHINJTCKBVPKPL-CQSZACIVSA-N 1 3 329.400 3.334 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])CC(C)C ZINC000423257849 309392629 /nfs/dbraw/zinc/39/26/29/309392629.db2.gz AIPQDTPDFDRUKU-KGLIPLIRSA-N 1 3 325.478 3.429 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000423388932 309398200 /nfs/dbraw/zinc/39/82/00/309398200.db2.gz NUBJICCGFUFHMD-LJQANCHMSA-N 1 3 337.423 3.309 20 5 EGBDHO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447607374 458322067 /nfs/dbraw/zinc/32/20/67/458322067.db2.gz RTKSIVXQITXMDO-BRWVUGGUSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@H](CCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607374 458322072 /nfs/dbraw/zinc/32/20/72/458322072.db2.gz RTKSIVXQITXMDO-BRWVUGGUSA-N 1 3 349.479 3.129 20 5 EGBDHO [NH3+]CC[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000442930085 459062757 /nfs/dbraw/zinc/06/27/57/459062757.db2.gz SODIHQVLFHMSEX-CQSZACIVSA-N 1 3 329.400 3.416 20 5 EGBDHO [NH3+]CCN(c1cccc2ccccc21)c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162005466 1382596899 /nfs/dbraw/zinc/59/68/99/1382596899.db2.gz NPPHUUVWQQQSAH-UHFFFAOYSA-N 1 3 348.406 3.448 20 5 EGBDHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169699091 1384174931 /nfs/dbraw/zinc/17/49/31/1384174931.db2.gz UVQZIICJHHOEDA-INIZCTEOSA-N 1 3 338.411 3.438 20 5 EGBDHO COc1ccc(C[C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307595 1384286877 /nfs/dbraw/zinc/28/68/77/1384286877.db2.gz HWVSWCMQCWLLRE-JKSUJKDBSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@H](C)NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307595 1384286879 /nfs/dbraw/zinc/28/68/79/1384286879.db2.gz HWVSWCMQCWLLRE-JKSUJKDBSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307595 1384286893 /nfs/dbraw/zinc/28/68/93/1384286893.db2.gz HWVSWCMQCWLLRE-JKSUJKDBSA-N 1 3 349.475 3.389 20 5 EGBDHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913271 1384876694 /nfs/dbraw/zinc/87/66/94/1384876694.db2.gz QKSWKCNEMSPSIE-OTWHNJEPSA-N 1 3 343.471 3.116 20 5 EGBDHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913271 1384876696 /nfs/dbraw/zinc/87/66/96/1384876696.db2.gz QKSWKCNEMSPSIE-OTWHNJEPSA-N 1 3 343.471 3.116 20 5 EGBDHO CC(C)(NCc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001331980307 1389933379 /nfs/dbraw/zinc/93/33/79/1389933379.db2.gz GYYLVCYEWVGHKI-UHFFFAOYSA-N 1 3 325.412 3.265 20 5 EGBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318907 309201499 /nfs/dbraw/zinc/20/14/99/309201499.db2.gz ZQXNPBPZHIUACP-PKOBYXMFSA-N 1 3 349.475 3.309 20 5 EGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423041359 309382538 /nfs/dbraw/zinc/38/25/38/309382538.db2.gz IZAILAQOMYVUBD-BZUAXINKSA-N 1 3 337.851 3.301 20 5 EGBDHO CCC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154393471 454892813 /nfs/dbraw/zinc/89/28/13/454892813.db2.gz WWXOZGYJZAGHRO-IBGZPJMESA-N 1 3 348.491 3.053 20 5 EGBDHO CCC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664721 455028234 /nfs/dbraw/zinc/02/82/34/455028234.db2.gz QNUXLMBBRGYVHH-LPHOPBHVSA-N 1 3 348.491 3.052 20 5 EGBDHO Cc1c([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037438 533944855 /nfs/dbraw/zinc/94/48/55/533944855.db2.gz YLUZKVIDHRSCHL-BFYDXBDKSA-N 1 3 349.475 3.443 20 5 EGBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904021 1384875063 /nfs/dbraw/zinc/87/50/63/1384875063.db2.gz VEDOKFFWDHEDLD-OKZBNKHCSA-N 1 3 331.460 3.305 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000346836759 156158776 /nfs/dbraw/zinc/15/87/76/156158776.db2.gz VOBVDRLQLHLROF-FHLIZLRMSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090526140 454316912 /nfs/dbraw/zinc/31/69/12/454316912.db2.gz KBYKQOOFDKNBNA-KYNGSXCRSA-N 1 3 347.459 3.013 20 5 EGBDHO C[NH2+]CC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347175475 457272366 /nfs/dbraw/zinc/27/23/66/457272366.db2.gz PRUNDQWPCXPTFN-UHFFFAOYSA-N 1 3 329.400 3.286 20 5 EGBDHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580195 458314705 /nfs/dbraw/zinc/31/47/05/458314705.db2.gz NNHLEIHVQYSXIH-HOTGVXAUSA-N 1 3 349.479 3.128 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283160 458603638 /nfs/dbraw/zinc/60/36/38/458603638.db2.gz AXDFBHKBYKHXFI-HNNXBMFYSA-N 1 3 347.459 3.346 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594735642 459146425 /nfs/dbraw/zinc/14/64/25/459146425.db2.gz MBPWUTSZYZGFFN-NCRRVARUSA-N 1 3 329.444 3.320 20 5 EGBDHO O=[N+]([O-])c1ccc(Cl)c(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000850420057 1322243713 /nfs/dbraw/zinc/24/37/13/1322243713.db2.gz KWZJZWCVYLKYHD-UHFFFAOYSA-N 1 3 337.851 3.460 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000866239922 1330083892 /nfs/dbraw/zinc/08/38/92/1330083892.db2.gz WVTAJAPMLVZWMX-CYBMUJFWSA-N 1 3 335.423 3.129 20 5 EGBDHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169699092 1384175015 /nfs/dbraw/zinc/17/50/15/1384175015.db2.gz UVQZIICJHHOEDA-MRXNPFEDSA-N 1 3 338.411 3.438 20 5 EGBDHO [NH3+]C1(CC2CC2)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904634 1384875548 /nfs/dbraw/zinc/87/55/48/1384875548.db2.gz OZXZEKCSWYZJRF-GOSISDBHSA-N 1 3 343.471 3.436 20 5 EGBDHO CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133055171 529585084 /nfs/dbraw/zinc/58/50/84/529585084.db2.gz QJJTZOSCXIUCHU-BEFAXECRSA-N 1 3 347.459 3.136 20 5 EGBDHO CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000296029869 308386540 /nfs/dbraw/zinc/38/65/40/308386540.db2.gz SSWHLOIJINJBPM-WWTUQBGBSA-N 1 3 333.432 3.269 20 5 EGBDHO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430911780 309620654 /nfs/dbraw/zinc/62/06/54/309620654.db2.gz CUSYGHUCWPDCFC-UHFFFAOYSA-N 1 3 341.411 3.430 20 5 EGBDHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCCC1 ZINC000165271745 454896989 /nfs/dbraw/zinc/89/69/89/454896989.db2.gz WRUHSBDFZNXZDS-YJBOKZPZSA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@@H](CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271745 454896991 /nfs/dbraw/zinc/89/69/91/454896991.db2.gz WRUHSBDFZNXZDS-YJBOKZPZSA-N 1 3 331.460 3.237 20 5 EGBDHO C[NH+]1CCC(C)(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272632324 456019777 /nfs/dbraw/zinc/01/97/77/456019777.db2.gz YAUVFEDMBXOVFY-UHFFFAOYSA-N 1 3 343.374 3.018 20 5 EGBDHO C[NH+]1CCC([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000290574210 456369035 /nfs/dbraw/zinc/36/90/35/456369035.db2.gz UANRJTBIDHEGCM-MJICGBHWSA-N 1 3 329.444 3.272 20 5 EGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1CC[NH+](CC2CC2)CC1 ZINC000595105066 459246947 /nfs/dbraw/zinc/24/69/47/459246947.db2.gz WMVVQTWAJRRNSH-CQSZACIVSA-N 1 3 347.459 3.376 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000591582325 459406894 /nfs/dbraw/zinc/40/68/94/459406894.db2.gz IKBBSUKDGJNHHG-IAGOWNOFSA-N 1 3 329.444 3.180 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582325 459406898 /nfs/dbraw/zinc/40/68/98/459406898.db2.gz IKBBSUKDGJNHHG-IAGOWNOFSA-N 1 3 329.444 3.180 20 5 EGBDHO CC(C)[N@H+](C)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133461 459907498 /nfs/dbraw/zinc/90/74/98/459907498.db2.gz KFKHFXNVOAKDMO-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO CC(C)[N@@H+](C)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133461 459907503 /nfs/dbraw/zinc/90/75/03/459907503.db2.gz KFKHFXNVOAKDMO-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398366 309286320 /nfs/dbraw/zinc/28/63/20/309286320.db2.gz YLSRRLSMBOBBDG-QOKNQOGYSA-N 1 3 347.459 3.183 20 5 EGBDHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162584021 454785864 /nfs/dbraw/zinc/78/58/64/454785864.db2.gz HKBIXWNLLWNATK-OAHLLOKOSA-N 1 3 343.427 3.386 20 5 EGBDHO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCCC1 ZINC000165271983 454897096 /nfs/dbraw/zinc/89/70/96/454897096.db2.gz WRUHSBDFZNXZDS-MAUKXSAKSA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@@H](CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271983 454897098 /nfs/dbraw/zinc/89/70/98/454897098.db2.gz WRUHSBDFZNXZDS-MAUKXSAKSA-N 1 3 331.460 3.237 20 5 EGBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000246943883 455537131 /nfs/dbraw/zinc/53/71/31/455537131.db2.gz GZPIOFKOJAAJIY-KZNAEPCWSA-N 1 3 331.460 3.378 20 5 EGBDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247040699 455549782 /nfs/dbraw/zinc/54/97/82/455549782.db2.gz OCPBTNRUOPHABC-BZUAXINKSA-N 1 3 335.448 3.135 20 5 EGBDHO CC(C)[N@H+](C)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524156171 459349713 /nfs/dbraw/zinc/34/97/13/459349713.db2.gz PGSMELPCBWWMTC-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO CC(C)[N@@H+](C)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524156171 459349715 /nfs/dbraw/zinc/34/97/15/459349715.db2.gz PGSMELPCBWWMTC-UHFFFAOYSA-N 1 3 335.448 3.026 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433673 459600133 /nfs/dbraw/zinc/60/01/33/459600133.db2.gz PEXDCNMOCBTFAM-HZPDHXFCSA-N 1 3 347.459 3.205 20 5 EGBDHO CCC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160227564 528219566 /nfs/dbraw/zinc/21/95/66/528219566.db2.gz QLBXWFXXTDRMCA-IBGZPJMESA-N 1 3 348.491 3.052 20 5 EGBDHO CSC1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000894546395 1308947797 /nfs/dbraw/zinc/94/77/97/1308947797.db2.gz ZVORXFDLOMSLPU-UHFFFAOYSA-N 1 3 343.880 3.165 20 5 EGBDHO O=[N+]([O-])c1ccc(Cl)cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000850421337 1322245670 /nfs/dbraw/zinc/24/56/70/1322245670.db2.gz XCAZXTRHWJLJJI-UHFFFAOYSA-N 1 3 337.851 3.460 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393437 1330106120 /nfs/dbraw/zinc/10/61/20/1330106120.db2.gz OEBAPHCGUBDWBN-ZBFHGGJFSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393437 1330106124 /nfs/dbraw/zinc/10/61/24/1330106124.db2.gz OEBAPHCGUBDWBN-ZBFHGGJFSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000866393437 1330106125 /nfs/dbraw/zinc/10/61/25/1330106125.db2.gz OEBAPHCGUBDWBN-ZBFHGGJFSA-N 1 3 349.450 3.377 20 5 EGBDHO COc1ccc(C[C@H](C)[NH2+]CCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295229 1384284769 /nfs/dbraw/zinc/28/47/69/1384284769.db2.gz BJCWIGFSRJFNOI-INIZCTEOSA-N 1 3 349.475 3.246 20 5 EGBDHO COc1ccc(C[C@H](C)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295229 1384284771 /nfs/dbraw/zinc/28/47/71/1384284771.db2.gz BJCWIGFSRJFNOI-INIZCTEOSA-N 1 3 349.475 3.246 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000600678631 460565997 /nfs/dbraw/zinc/56/59/97/460565997.db2.gz NQXPYVYMTIZHNL-ZVZYQTTQSA-N 1 3 329.444 3.180 20 5 EGBDHO CC[NH+](CC)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051908635 454641525 /nfs/dbraw/zinc/64/15/25/454641525.db2.gz UYTIYHVHFOSBPK-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000423503486 458444872 /nfs/dbraw/zinc/44/48/72/458444872.db2.gz FURXPMBXXUEVJK-ZYSHUDEJSA-N 1 3 339.439 3.261 20 5 EGBDHO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581238 459406041 /nfs/dbraw/zinc/40/60/41/459406041.db2.gz OWZIZVVHGPAMLT-OALUTQOASA-N 1 3 337.423 3.416 20 5 EGBDHO [NH3+]Cc1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000593323940 459842539 /nfs/dbraw/zinc/84/25/39/459842539.db2.gz UCNVLIAORYCVBO-SFHVURJKSA-N 1 3 343.402 3.304 20 5 EGBDHO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCN(c3ccncc3)CC2)cc1 ZINC000602582713 460009426 /nfs/dbraw/zinc/00/94/26/460009426.db2.gz SZIHOHQSSLASIB-UHFFFAOYSA-N 1 3 340.427 3.039 20 5 EGBDHO C[C@@H](CCCC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415013855 309114402 /nfs/dbraw/zinc/11/44/02/309114402.db2.gz LHFFLNJJSOQNMB-LBPRGKRZSA-N 1 3 334.445 3.325 20 5 EGBDHO C[NH+](C)CCCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000123624830 454658292 /nfs/dbraw/zinc/65/82/92/454658292.db2.gz AMAJSBAVRVXICK-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185736340 455610519 /nfs/dbraw/zinc/61/05/19/455610519.db2.gz IOKGLUOUZZYFFJ-HZPDHXFCSA-N 1 3 347.459 3.216 20 5 EGBDHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374014 458124765 /nfs/dbraw/zinc/12/47/65/458124765.db2.gz PAAOFCJLAFHTRR-GXTWGEPZSA-N 1 3 331.441 3.492 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433669 459599709 /nfs/dbraw/zinc/59/97/09/459599709.db2.gz OOAILWWNNBQFCW-ZIAGYGMSSA-N 1 3 337.851 3.460 20 5 EGBDHO CC[NH+]1CCC(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602551678 459993956 /nfs/dbraw/zinc/99/39/56/459993956.db2.gz PKIXDCDOGJMPFP-UHFFFAOYSA-N 1 3 345.365 3.435 20 5 EGBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160739241 1382182732 /nfs/dbraw/zinc/18/27/32/1382182732.db2.gz VAAGTJDPXKBHRF-NRFANRHFSA-N 1 3 349.478 3.408 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000346852151 156164602 /nfs/dbraw/zinc/16/46/02/156164602.db2.gz WKFMKWYTOXHFMW-RRQGHBQHSA-N 1 3 327.384 3.024 20 5 EGBDHO CCOc1ccc([C@H](C)NCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000515189340 312270277 /nfs/dbraw/zinc/27/02/77/312270277.db2.gz QLVBCYPOEGYHRH-AWEZNQCLSA-N 1 3 335.448 3.376 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000536858832 314150433 /nfs/dbraw/zinc/15/04/33/314150433.db2.gz SIEDCJJGNUDLLX-ZACQAIPSSA-N 1 3 349.475 3.443 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223100 454539673 /nfs/dbraw/zinc/53/96/73/454539673.db2.gz ZVGXVCKXHVEPCR-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223100 454539678 /nfs/dbraw/zinc/53/96/78/454539678.db2.gz ZVGXVCKXHVEPCR-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162583918 454785818 /nfs/dbraw/zinc/78/58/18/454785818.db2.gz HKBIXWNLLWNATK-HNNXBMFYSA-N 1 3 343.427 3.386 20 5 EGBDHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369950 458121593 /nfs/dbraw/zinc/12/15/93/458121593.db2.gz GVPLOVIVPVINJF-QWHCGFSZSA-N 1 3 331.441 3.492 20 5 EGBDHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369951 458121615 /nfs/dbraw/zinc/12/16/15/458121615.db2.gz GVPLOVIVPVINJF-STQMWFEESA-N 1 3 331.441 3.492 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594735641 459146853 /nfs/dbraw/zinc/14/68/53/459146853.db2.gz MBPWUTSZYZGFFN-GINYUPMKSA-N 1 3 329.444 3.320 20 5 EGBDHO CC[NH+]1CCC(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595027129 459220469 /nfs/dbraw/zinc/22/04/69/459220469.db2.gz PZTVNCDXVZXCCZ-AWEZNQCLSA-N 1 3 335.448 3.376 20 5 EGBDHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000578643112 459236508 /nfs/dbraw/zinc/23/65/08/459236508.db2.gz NOVNTGLJEJMDBG-IIDMSEBBSA-N 1 3 347.459 3.061 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736240 459967190 /nfs/dbraw/zinc/96/71/90/459967190.db2.gz KHQKOXUBOXQTHN-YIOZNXECSA-N 1 3 347.459 3.183 20 5 EGBDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000734510142 575504550 /nfs/dbraw/zinc/50/45/50/575504550.db2.gz RIHCSKNHBIMFRP-FUHWJXTLSA-N 1 3 349.475 3.130 20 5 EGBDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275635 309393493 /nfs/dbraw/zinc/39/34/93/309393493.db2.gz MARUHEHAPUTAHW-SPUZQDLCSA-N 1 3 331.460 3.413 20 5 EGBDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090526152 454317484 /nfs/dbraw/zinc/31/74/84/454317484.db2.gz KBYKQOOFDKNBNA-JVPBZIDWSA-N 1 3 347.459 3.013 20 5 EGBDHO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCCC1 ZINC000165271869 454896831 /nfs/dbraw/zinc/89/68/31/454896831.db2.gz WRUHSBDFZNXZDS-QAPCUYQASA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@H](CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271869 454896833 /nfs/dbraw/zinc/89/68/33/454896833.db2.gz WRUHSBDFZNXZDS-QAPCUYQASA-N 1 3 331.460 3.237 20 5 EGBDHO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133383 458408164 /nfs/dbraw/zinc/40/81/64/458408164.db2.gz NOJYKFMBUNXOTH-IBGZPJMESA-N 1 3 341.411 3.382 20 5 EGBDHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133383 458408167 /nfs/dbraw/zinc/40/81/67/458408167.db2.gz NOJYKFMBUNXOTH-IBGZPJMESA-N 1 3 341.411 3.382 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527044 458452796 /nfs/dbraw/zinc/45/27/96/458452796.db2.gz LYKDCHQMZMJMFI-UHCBGPFTSA-N 1 3 343.471 3.269 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423527044 458452798 /nfs/dbraw/zinc/45/27/98/458452798.db2.gz LYKDCHQMZMJMFI-UHCBGPFTSA-N 1 3 343.471 3.269 20 5 EGBDHO C[NH+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566689165 458984784 /nfs/dbraw/zinc/98/47/84/458984784.db2.gz OYCVGNWCRVRPPS-SFHVURJKSA-N 1 3 325.412 3.434 20 5 EGBDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115628086 1293192817 /nfs/dbraw/zinc/19/28/17/1293192817.db2.gz RIHCSKNHBIMFRP-AEFFLSMTSA-N 1 3 349.475 3.130 20 5 EGBDHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049139 1384100511 /nfs/dbraw/zinc/10/05/11/1384100511.db2.gz VZMXLPZCCOBEHL-LPHOPBHVSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049139 1384100513 /nfs/dbraw/zinc/10/05/13/1384100513.db2.gz VZMXLPZCCOBEHL-LPHOPBHVSA-N 1 3 349.450 3.167 20 5 EGBDHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913268 1384876828 /nfs/dbraw/zinc/87/68/28/1384876828.db2.gz QKSWKCNEMSPSIE-CEXWTWQISA-N 1 3 343.471 3.116 20 5 EGBDHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913268 1384876833 /nfs/dbraw/zinc/87/68/33/1384876833.db2.gz QKSWKCNEMSPSIE-CEXWTWQISA-N 1 3 343.471 3.116 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260264 168099273 /nfs/dbraw/zinc/09/92/73/168099273.db2.gz QTZNYVLWZIFWEZ-KURKYZTESA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260264 168099274 /nfs/dbraw/zinc/09/92/74/168099274.db2.gz QTZNYVLWZIFWEZ-KURKYZTESA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2nc(CNCCC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414969098 309112191 /nfs/dbraw/zinc/11/21/91/309112191.db2.gz IRLMXONFDDNOEE-AWEZNQCLSA-N 1 3 346.456 3.340 20 5 EGBDHO C[NH+](C)Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570411691 317052425 /nfs/dbraw/zinc/05/24/25/317052425.db2.gz QDLULQFVKKUXIG-GOSISDBHSA-N 1 3 325.412 3.434 20 5 EGBDHO C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000089513332 454158451 /nfs/dbraw/zinc/15/84/51/454158451.db2.gz VEHAPJMFGJJWOY-OAHLLOKOSA-N 1 3 343.427 3.386 20 5 EGBDHO CC[NH+](CC)CCOC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000075007512 454673469 /nfs/dbraw/zinc/67/34/69/454673469.db2.gz GINAQQRDMLMTCA-UHFFFAOYSA-N 1 3 349.475 3.226 20 5 EGBDHO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185694412 455598357 /nfs/dbraw/zinc/59/83/57/455598357.db2.gz WRWMVJQZFFWTNS-RDJZCZTQSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694412 455598361 /nfs/dbraw/zinc/59/83/61/455598361.db2.gz WRWMVJQZFFWTNS-RDJZCZTQSA-N 1 3 331.460 3.380 20 5 EGBDHO C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694412 455598367 /nfs/dbraw/zinc/59/83/67/455598367.db2.gz WRWMVJQZFFWTNS-RDJZCZTQSA-N 1 3 331.460 3.380 20 5 EGBDHO CCC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282429249 456509771 /nfs/dbraw/zinc/50/97/71/456509771.db2.gz TURNLINXMNBXQH-GOSISDBHSA-N 1 3 348.491 3.052 20 5 EGBDHO CSC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000353189861 456549367 /nfs/dbraw/zinc/54/93/67/456549367.db2.gz NPXJSFGNSDMTCS-UHFFFAOYSA-N 1 3 343.880 3.165 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(OCC[NH+](C)C)CC1 ZINC000347332419 457357552 /nfs/dbraw/zinc/35/75/52/457357552.db2.gz GBKYSAJGHDPOLO-SSZFMOIBSA-N 1 3 347.459 3.041 20 5 EGBDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262007 1330087028 /nfs/dbraw/zinc/08/70/28/1330087028.db2.gz ZBVHAYIFKNUXIZ-GJZGRUSLSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262007 1330087030 /nfs/dbraw/zinc/08/70/30/1330087030.db2.gz ZBVHAYIFKNUXIZ-GJZGRUSLSA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262007 1330087032 /nfs/dbraw/zinc/08/70/32/1330087032.db2.gz ZBVHAYIFKNUXIZ-GJZGRUSLSA-N 1 3 337.439 3.375 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000346822095 156152237 /nfs/dbraw/zinc/15/22/37/156152237.db2.gz FDUPIZSKTFGOKH-XOKHGSTOSA-N 1 3 341.411 3.414 20 5 EGBDHO CCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000515236039 312272781 /nfs/dbraw/zinc/27/27/81/312272781.db2.gz STQIAMNCUPQEOH-CYBMUJFWSA-N 1 3 329.400 3.303 20 5 EGBDHO CC[NH+](CC)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047973132 454426583 /nfs/dbraw/zinc/42/65/83/454426583.db2.gz ATJQUEGAGBUKFW-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493898 455659513 /nfs/dbraw/zinc/65/95/13/455659513.db2.gz KVZHCZTXESYTSQ-OTWHNJEPSA-N 1 3 347.459 3.013 20 5 EGBDHO CN1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873357 455794075 /nfs/dbraw/zinc/79/40/75/455794075.db2.gz NKBNYZCSAKTSNC-AEFFLSMTSA-N 1 3 329.444 3.158 20 5 EGBDHO CC[NH+](CC)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349979898 457131866 /nfs/dbraw/zinc/13/18/66/457131866.db2.gz XMHHVHJSQYBDRP-UHFFFAOYSA-N 1 3 349.475 3.226 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(OCC[NH+](C)C)CC1 ZINC000347332416 457357220 /nfs/dbraw/zinc/35/72/20/457357220.db2.gz GBKYSAJGHDPOLO-DTQAZKPQSA-N 1 3 347.459 3.041 20 5 EGBDHO Cc1c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961256 205349945 /nfs/dbraw/zinc/34/99/45/205349945.db2.gz SHFABLLCWMPKEU-CVEARBPZSA-N 1 3 347.459 3.055 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000346852153 156164758 /nfs/dbraw/zinc/16/47/58/156164758.db2.gz WKFMKWYTOXHFMW-XOKHGSTOSA-N 1 3 327.384 3.024 20 5 EGBDHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162850 164117312 /nfs/dbraw/zinc/11/73/12/164117312.db2.gz ZIRQDKOCVRFGLR-KRWDZBQOSA-N 1 3 348.491 3.005 20 5 EGBDHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162850 164117313 /nfs/dbraw/zinc/11/73/13/164117313.db2.gz ZIRQDKOCVRFGLR-KRWDZBQOSA-N 1 3 348.491 3.005 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012815 309114282 /nfs/dbraw/zinc/11/42/82/309114282.db2.gz XOCCGBBILHKGAI-GXTWGEPZSA-N 1 3 346.456 3.325 20 5 EGBDHO [NH3+]C[C@H]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000415025011 309115077 /nfs/dbraw/zinc/11/50/77/309115077.db2.gz OSZZTRAUAZCPQD-HAQNSBGRSA-N 1 3 343.374 3.051 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000449101610 310037256 /nfs/dbraw/zinc/03/72/56/310037256.db2.gz FYYISUNYANEUIZ-BRWVUGGUSA-N 1 3 349.475 3.005 20 5 EGBDHO C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000089513331 454158212 /nfs/dbraw/zinc/15/82/12/454158212.db2.gz VEHAPJMFGJJWOY-HNNXBMFYSA-N 1 3 343.427 3.386 20 5 EGBDHO CCC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664493 455028704 /nfs/dbraw/zinc/02/87/04/455028704.db2.gz QNUXLMBBRGYVHH-APWZRJJASA-N 1 3 348.491 3.052 20 5 EGBDHO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447607375 458321698 /nfs/dbraw/zinc/32/16/98/458321698.db2.gz RTKSIVXQITXMDO-IKGGRYGDSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@H](CCN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607375 458321701 /nfs/dbraw/zinc/32/17/01/458321701.db2.gz RTKSIVXQITXMDO-IKGGRYGDSA-N 1 3 349.479 3.129 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433674 459600308 /nfs/dbraw/zinc/60/03/08/459600308.db2.gz PEXDCNMOCBTFAM-JKSUJKDBSA-N 1 3 347.459 3.205 20 5 EGBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH3+])cc1F ZINC000593314311 459837982 /nfs/dbraw/zinc/83/79/82/459837982.db2.gz CVVYXSOYFOIHCU-CYBMUJFWSA-N 1 3 331.391 3.304 20 5 EGBDHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049141 1384100574 /nfs/dbraw/zinc/10/05/74/1384100574.db2.gz VZMXLPZCCOBEHL-VQIMIIECSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049141 1384100578 /nfs/dbraw/zinc/10/05/78/1384100578.db2.gz VZMXLPZCCOBEHL-VQIMIIECSA-N 1 3 349.450 3.167 20 5 EGBDHO CCCC[N@H+](C)CCCN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297717 1384285004 /nfs/dbraw/zinc/28/50/04/1384285004.db2.gz QVSVUCYTDCVUBK-OAHLLOKOSA-N 1 3 337.464 3.246 20 5 EGBDHO CCCC[N@@H+](C)CCCN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297717 1384285007 /nfs/dbraw/zinc/28/50/07/1384285007.db2.gz QVSVUCYTDCVUBK-OAHLLOKOSA-N 1 3 337.464 3.246 20 5 EGBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904020 1384875055 /nfs/dbraw/zinc/87/50/55/1384875055.db2.gz VEDOKFFWDHEDLD-KZNAEPCWSA-N 1 3 331.460 3.305 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359823 206918445 /nfs/dbraw/zinc/91/84/45/206918445.db2.gz SUAGQLDGADRDOI-XHSDSOJGSA-N 1 3 335.448 3.135 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390700 309285841 /nfs/dbraw/zinc/28/58/41/309285841.db2.gz ZRJLXMCXZFHPPN-KYNGSXCRSA-N 1 3 347.459 3.183 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398364 309286270 /nfs/dbraw/zinc/28/62/70/309286270.db2.gz YLSRRLSMBOBBDG-GMBSWORKSA-N 1 3 347.459 3.183 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218631 309390968 /nfs/dbraw/zinc/39/09/68/309390968.db2.gz SDGXKYCVZGZDLA-QLFBSQMISA-N 1 3 337.489 3.443 20 5 EGBDHO CCC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154281021 454881143 /nfs/dbraw/zinc/88/11/43/454881143.db2.gz OBDRYNDYGYYJIH-LJQANCHMSA-N 1 3 348.491 3.053 20 5 EGBDHO CC(C)[NH+]1CCC(N(C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263755283 456213556 /nfs/dbraw/zinc/21/35/56/456213556.db2.gz TXXJYIKPOYVNKR-UHFFFAOYSA-N 1 3 335.448 3.168 20 5 EGBDHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373699 458124882 /nfs/dbraw/zinc/12/48/82/458124882.db2.gz OCQDKMOWLQFUAC-OLZOCXBDSA-N 1 3 331.441 3.492 20 5 EGBDHO O=[N+]([O-])c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000459471768 458383577 /nfs/dbraw/zinc/38/35/77/458383577.db2.gz BQIZQVSSYOHPBM-UHFFFAOYSA-N 1 3 346.818 3.402 20 5 EGBDHO [NH3+]CCc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817950623 1319475335 /nfs/dbraw/zinc/47/53/35/1319475335.db2.gz ZCHCZFGIDLQZCF-IBGZPJMESA-N 1 3 325.412 3.263 20 5 EGBDHO CN(C1CC1)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918512 1384878416 /nfs/dbraw/zinc/87/84/16/1384878416.db2.gz BKBGPPUGHCTPSC-LJQANCHMSA-N 1 3 343.471 3.401 20 5 EGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215313 1384937644 /nfs/dbraw/zinc/93/76/44/1384937644.db2.gz UTEFHMVKJMFHNW-IXDOHACOSA-N 1 3 333.476 3.483 20 5 EGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215313 1384937646 /nfs/dbraw/zinc/93/76/46/1384937646.db2.gz UTEFHMVKJMFHNW-IXDOHACOSA-N 1 3 333.476 3.483 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000414669468 309094654 /nfs/dbraw/zinc/09/46/54/309094654.db2.gz KOASZKSHRQENJV-RRQGHBQHSA-N 1 3 343.452 3.492 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398369 309286262 /nfs/dbraw/zinc/28/62/62/309286262.db2.gz YLSRRLSMBOBBDG-ZSZQSSIHSA-N 1 3 347.459 3.183 20 5 EGBDHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043560 309382573 /nfs/dbraw/zinc/38/25/73/309382573.db2.gz PAGYLDNMSFYCDY-SUMWQHHRSA-N 1 3 347.846 3.339 20 5 EGBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047109 309382760 /nfs/dbraw/zinc/38/27/60/309382760.db2.gz UVCPBYFGQIAHED-NSHDSACASA-N 1 3 348.834 3.304 20 5 EGBDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603610 456009889 /nfs/dbraw/zinc/00/98/89/456009889.db2.gz JJFXWXPFVPOYIG-TYNCELHUSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603610 456009892 /nfs/dbraw/zinc/00/98/92/456009892.db2.gz JJFXWXPFVPOYIG-TYNCELHUSA-N 1 3 325.840 3.109 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052210261 454660539 /nfs/dbraw/zinc/66/05/39/454660539.db2.gz JLUUTHIHHHPMPR-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052210261 454660544 /nfs/dbraw/zinc/66/05/44/454660544.db2.gz JLUUTHIHHHPMPR-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271488580 455656701 /nfs/dbraw/zinc/65/67/01/455656701.db2.gz KBYKQOOFDKNBNA-GDIGMMSISA-N 1 3 347.459 3.013 20 5 EGBDHO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493895 455658919 /nfs/dbraw/zinc/65/89/19/455658919.db2.gz KVZHCZTXESYTSQ-IPMKNSEASA-N 1 3 347.459 3.013 20 5 EGBDHO CCC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282429255 456509549 /nfs/dbraw/zinc/50/95/49/456509549.db2.gz TURNLINXMNBXQH-SFHVURJKSA-N 1 3 348.491 3.052 20 5 EGBDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209185 457131152 /nfs/dbraw/zinc/13/11/52/457131152.db2.gz QKMLURYKTZASKX-RDJZCZTQSA-N 1 3 335.448 3.168 20 5 EGBDHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209185 457131153 /nfs/dbraw/zinc/13/11/53/457131153.db2.gz QKMLURYKTZASKX-RDJZCZTQSA-N 1 3 335.448 3.168 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433668 459600025 /nfs/dbraw/zinc/60/00/25/459600025.db2.gz OOAILWWNNBQFCW-UONOGXRCSA-N 1 3 337.851 3.460 20 5 EGBDHO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133054958 529681649 /nfs/dbraw/zinc/68/16/49/529681649.db2.gz QJJTZOSCXIUCHU-HNAYVOBHSA-N 1 3 347.459 3.136 20 5 EGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212950 310044950 /nfs/dbraw/zinc/04/49/50/310044950.db2.gz UMSMKTSIXNDRNB-DLBZAZTESA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212950 310044951 /nfs/dbraw/zinc/04/49/51/310044951.db2.gz UMSMKTSIXNDRNB-DLBZAZTESA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212950 310044952 /nfs/dbraw/zinc/04/49/52/310044952.db2.gz UMSMKTSIXNDRNB-DLBZAZTESA-N 1 3 333.476 3.483 20 5 EGBDHO Cc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000162855003 454804660 /nfs/dbraw/zinc/80/46/60/454804660.db2.gz OYSIRHURNKFESV-BRWVUGGUSA-N 1 3 349.475 3.443 20 5 EGBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000161013542 455524345 /nfs/dbraw/zinc/52/43/45/455524345.db2.gz GZPIOFKOJAAJIY-KSZLIROESA-N 1 3 331.460 3.378 20 5 EGBDHO C[C@H]([NH3+])C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113283 457235766 /nfs/dbraw/zinc/23/57/66/457235766.db2.gz ROMXFZWEWSIXBP-ZDUSSCGKSA-N 1 3 329.400 3.414 20 5 EGBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296680 457801833 /nfs/dbraw/zinc/80/18/33/457801833.db2.gz SYSXTQDWIXSSEF-CRAIPNDOSA-N 1 3 349.475 3.264 20 5 EGBDHO CC[NH+]1CCC(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595027130 459220746 /nfs/dbraw/zinc/22/07/46/459220746.db2.gz PZTVNCDXVZXCCZ-CQSZACIVSA-N 1 3 335.448 3.376 20 5 EGBDHO O=[N+]([O-])c1cccc([C@@H](NCC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000574307656 459805110 /nfs/dbraw/zinc/80/51/10/459805110.db2.gz YSKFYAAOHCDRTO-IBGZPJMESA-N 1 3 325.412 3.273 20 5 EGBDHO [NH3+]CC1(c2ccccc2)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000903794091 1317735996 /nfs/dbraw/zinc/73/59/96/1317735996.db2.gz NBRQNJJZENTWGK-UHFFFAOYSA-N 1 3 325.412 3.087 20 5 EGBDHO CC1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C[C@](C)(C[NH3+])C1 ZINC001169141949 1384112875 /nfs/dbraw/zinc/11/28/75/1384112875.db2.gz DYARZFUQCODACK-KSSFIOAISA-N 1 3 332.448 3.154 20 5 EGBDHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268540924 252007253 /nfs/dbraw/zinc/00/72/53/252007253.db2.gz KWRLTHKBTWWYKK-INIZCTEOSA-N 1 3 347.459 3.312 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322017 309282006 /nfs/dbraw/zinc/28/20/06/309282006.db2.gz DQPXWMJWFUEHGR-JKSUJKDBSA-N 1 3 347.459 3.204 20 5 EGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423041360 309382577 /nfs/dbraw/zinc/38/25/77/309382577.db2.gz IZAILAQOMYVUBD-OAGGEKHMSA-N 1 3 337.851 3.301 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218633 309391115 /nfs/dbraw/zinc/39/11/15/309391115.db2.gz SDGXKYCVZGZDLA-RRFJBIMHSA-N 1 3 337.489 3.443 20 5 EGBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000449222966 310045781 /nfs/dbraw/zinc/04/57/81/310045781.db2.gz XJZNSAJAZUGMJB-HNNXBMFYSA-N 1 3 327.428 3.377 20 5 EGBDHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030515 311130304 /nfs/dbraw/zinc/13/03/04/311130304.db2.gz LVRNYVNYTPLMKS-FUHWJXTLSA-N 1 3 349.475 3.397 20 5 EGBDHO [NH3+]CCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000515657376 312293554 /nfs/dbraw/zinc/29/35/54/312293554.db2.gz UVVYOKIGVBVJRH-UHFFFAOYSA-N 1 3 329.400 3.416 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CN(C)C ZINC000425935397 457656180 /nfs/dbraw/zinc/65/61/80/457656180.db2.gz DCVPLZFCQJRWCW-KGLIPLIRSA-N 1 3 325.478 3.253 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H](C)C[NH+](C)C ZINC000425935397 457656188 /nfs/dbraw/zinc/65/61/88/457656188.db2.gz DCVPLZFCQJRWCW-KGLIPLIRSA-N 1 3 325.478 3.253 20 5 EGBDHO CC[N@@H+]1CC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431167 458854936 /nfs/dbraw/zinc/85/49/36/458854936.db2.gz BBEQUAKWYCWIBD-SWLSCSKDSA-N 1 3 325.840 3.111 20 5 EGBDHO CC[N@H+]1CC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431167 458854939 /nfs/dbraw/zinc/85/49/39/458854939.db2.gz BBEQUAKWYCWIBD-SWLSCSKDSA-N 1 3 325.840 3.111 20 5 EGBDHO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581247 459406423 /nfs/dbraw/zinc/40/64/23/459406423.db2.gz OWZIZVVHGPAMLT-RTBURBONSA-N 1 3 337.423 3.416 20 5 EGBDHO C[NH+]1CCC(C)(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602604786 460019931 /nfs/dbraw/zinc/01/99/31/460019931.db2.gz HRTIRCVHMIPVCR-UHFFFAOYSA-N 1 3 345.365 3.435 20 5 EGBDHO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000618798351 460180098 /nfs/dbraw/zinc/18/00/98/460180098.db2.gz SDTJSEOHETYENT-NSHDSACASA-N 1 3 345.365 3.434 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603856884 460349709 /nfs/dbraw/zinc/34/97/09/460349709.db2.gz AIJRVFWGSQHQRF-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603856884 460349712 /nfs/dbraw/zinc/34/97/12/460349712.db2.gz AIJRVFWGSQHQRF-UHFFFAOYSA-N 1 3 349.475 3.418 20 5 EGBDHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046375 1384100358 /nfs/dbraw/zinc/10/03/58/1384100358.db2.gz LNHRGAQQGKTICD-LPHOPBHVSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046375 1384100360 /nfs/dbraw/zinc/10/03/60/1384100360.db2.gz LNHRGAQQGKTICD-LPHOPBHVSA-N 1 3 349.450 3.167 20 5 EGBDHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172913270 1384876574 /nfs/dbraw/zinc/87/65/74/1384876574.db2.gz QKSWKCNEMSPSIE-GUDVDZBRSA-N 1 3 343.471 3.116 20 5 EGBDHO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000185723447 455605826 /nfs/dbraw/zinc/60/58/26/455605826.db2.gz UPZFKNOMHIPFLB-JKSUJKDBSA-N 1 3 347.459 3.216 20 5 EGBDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506509 458300587 /nfs/dbraw/zinc/30/05/87/458300587.db2.gz CXYMHJRXORGIII-BRWVUGGUSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506509 458300593 /nfs/dbraw/zinc/30/05/93/458300593.db2.gz CXYMHJRXORGIII-BRWVUGGUSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506509 458300596 /nfs/dbraw/zinc/30/05/96/458300596.db2.gz CXYMHJRXORGIII-BRWVUGGUSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506512 458302020 /nfs/dbraw/zinc/30/20/20/458302020.db2.gz CXYMHJRXORGIII-ZACQAIPSSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506512 458302026 /nfs/dbraw/zinc/30/20/26/458302026.db2.gz CXYMHJRXORGIII-ZACQAIPSSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506512 458302030 /nfs/dbraw/zinc/30/20/30/458302030.db2.gz CXYMHJRXORGIII-ZACQAIPSSA-N 1 3 349.479 3.129 20 5 EGBDHO CN1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134656 458407687 /nfs/dbraw/zinc/40/76/87/458407687.db2.gz REQXWBQRBJRBBE-IBGZPJMESA-N 1 3 341.411 3.382 20 5 EGBDHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134656 458407691 /nfs/dbraw/zinc/40/76/91/458407691.db2.gz REQXWBQRBJRBBE-IBGZPJMESA-N 1 3 341.411 3.382 20 5 EGBDHO O=[N+]([O-])c1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000595001630 459211817 /nfs/dbraw/zinc/21/18/17/459211817.db2.gz YXTQZPZETQFHIY-UHFFFAOYSA-N 1 3 337.851 3.460 20 5 EGBDHO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1CC[NH+](C2CC2)CC1 ZINC000595052436 459229238 /nfs/dbraw/zinc/22/92/38/459229238.db2.gz WVLYWCBLSYLZEK-CYBMUJFWSA-N 1 3 333.432 3.128 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753050 528338064 /nfs/dbraw/zinc/33/80/64/528338064.db2.gz AUCFTNHLEZGYQB-IBGZPJMESA-N 1 3 349.475 3.072 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753050 528338067 /nfs/dbraw/zinc/33/80/67/528338067.db2.gz AUCFTNHLEZGYQB-IBGZPJMESA-N 1 3 349.475 3.072 20 5 EGBDHO CCC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160227683 529007961 /nfs/dbraw/zinc/00/79/61/529007961.db2.gz QLBXWFXXTDRMCA-LJQANCHMSA-N 1 3 348.491 3.052 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393435 1330106042 /nfs/dbraw/zinc/10/60/42/1330106042.db2.gz OEBAPHCGUBDWBN-HOCLYGCPSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393435 1330106043 /nfs/dbraw/zinc/10/60/43/1330106043.db2.gz OEBAPHCGUBDWBN-HOCLYGCPSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000866393435 1330106045 /nfs/dbraw/zinc/10/60/45/1330106045.db2.gz OEBAPHCGUBDWBN-HOCLYGCPSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293567003 308142409 /nfs/dbraw/zinc/14/24/09/308142409.db2.gz DGMRWYZUDAVWSN-CYBMUJFWSA-N 1 3 328.416 3.089 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2nc(CNCC[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414846699 309105233 /nfs/dbraw/zinc/10/52/33/309105233.db2.gz UXPGJIUTYPFFAP-CYBMUJFWSA-N 1 3 346.456 3.198 20 5 EGBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918935 309376280 /nfs/dbraw/zinc/37/62/80/309376280.db2.gz JAYORUUXUNJKTL-CQSZACIVSA-N 1 3 342.443 3.430 20 5 EGBDHO CCC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664614 455028636 /nfs/dbraw/zinc/02/86/36/455028636.db2.gz QNUXLMBBRGYVHH-VQIMIIECSA-N 1 3 348.491 3.052 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC[NH2+]C4)CC3)o2)cc1 ZINC000430901832 458503147 /nfs/dbraw/zinc/50/31/47/458503147.db2.gz VXLCWQKYZVKEKV-UHFFFAOYSA-N 1 3 341.411 3.430 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433670 459599948 /nfs/dbraw/zinc/59/99/48/459599948.db2.gz PEXDCNMOCBTFAM-CVEARBPZSA-N 1 3 347.459 3.205 20 5 EGBDHO NC[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@@H]1O ZINC001206530346 1371085001 /nfs/dbraw/zinc/08/50/01/1371085001.db2.gz GGZLPTFPIWBHGD-YWZLYKJASA-N 1 3 346.430 3.442 20 5 EGBDHO NC[C@H]1C[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@@H]1O ZINC001206530346 1371085006 /nfs/dbraw/zinc/08/50/06/1371085006.db2.gz GGZLPTFPIWBHGD-YWZLYKJASA-N 1 3 346.430 3.442 20 5 EGBDHO COc1ccc(C[C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307592 1384287101 /nfs/dbraw/zinc/28/71/01/1384287101.db2.gz HWVSWCMQCWLLRE-CVEARBPZSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307592 1384287103 /nfs/dbraw/zinc/28/71/03/1384287103.db2.gz HWVSWCMQCWLLRE-CVEARBPZSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307592 1384287105 /nfs/dbraw/zinc/28/71/05/1384287105.db2.gz HWVSWCMQCWLLRE-CVEARBPZSA-N 1 3 349.475 3.389 20 5 EGBDHO Cc1c([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961895 223377014 /nfs/dbraw/zinc/37/70/14/223377014.db2.gz SHFABLLCWMPKEU-JKSUJKDBSA-N 1 3 347.459 3.055 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(C)CCC[NH2+]C1 ZINC000423349474 309396519 /nfs/dbraw/zinc/39/65/19/309396519.db2.gz VRQMOGMOHKNZLR-RHSMWYFYSA-N 1 3 337.489 3.445 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCNC1 ZINC000423349474 309396520 /nfs/dbraw/zinc/39/65/20/309396520.db2.gz VRQMOGMOHKNZLR-RHSMWYFYSA-N 1 3 337.489 3.445 20 5 EGBDHO C[C@@H]([NH3+])C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347047972 457201844 /nfs/dbraw/zinc/20/18/44/457201844.db2.gz PGBHDIWFCUGIOD-CYBMUJFWSA-N 1 3 329.400 3.414 20 5 EGBDHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687348 460067322 /nfs/dbraw/zinc/06/73/22/460067322.db2.gz KEFXNBAHUHMLPE-LBPRGKRZSA-N 1 3 345.365 3.435 20 5 EGBDHO C[N@H+]1CCC[C@@H](CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687348 460067325 /nfs/dbraw/zinc/06/73/25/460067325.db2.gz KEFXNBAHUHMLPE-LBPRGKRZSA-N 1 3 345.365 3.435 20 5 EGBDHO CC1(C)C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C[C@@](C)(C[NH3+])C1 ZINC001169141951 1384112967 /nfs/dbraw/zinc/11/29/67/1384112967.db2.gz DYARZFUQCODACK-RDTXWAMCSA-N 1 3 332.448 3.154 20 5 EGBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349127710 156361584 /nfs/dbraw/zinc/36/15/84/156361584.db2.gz JCDQWLGCBSFXNX-MRXNPFEDSA-N 1 3 347.459 3.157 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCC[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000414847229 309105382 /nfs/dbraw/zinc/10/53/82/309105382.db2.gz IHINJTCKBVPKPL-AWEZNQCLSA-N 1 3 329.400 3.334 20 5 EGBDHO C[NH+](C)C1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421366785 309320842 /nfs/dbraw/zinc/32/08/42/309320842.db2.gz CTYVPMPVMGMZNY-UHFFFAOYSA-N 1 3 343.374 3.159 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359856 455272958 /nfs/dbraw/zinc/27/29/58/455272958.db2.gz SUAGQLDGADRDOI-OAGGEKHMSA-N 1 3 335.448 3.135 20 5 EGBDHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368841 458120800 /nfs/dbraw/zinc/12/08/00/458120800.db2.gz CESIZNXTLUBVFU-OLZOCXBDSA-N 1 3 331.441 3.492 20 5 EGBDHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368839 458121172 /nfs/dbraw/zinc/12/11/72/458121172.db2.gz CESIZNXTLUBVFU-CHWSQXEVSA-N 1 3 331.441 3.492 20 5 EGBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001168996065 1384081674 /nfs/dbraw/zinc/08/16/74/1384081674.db2.gz URHYPPKLWAANQA-WMZOPIPTSA-N 1 3 349.450 3.073 20 5 EGBDHO CCCN1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172913273 1384877016 /nfs/dbraw/zinc/87/70/16/1384877016.db2.gz QKSWKCNEMSPSIE-QRVBRYPASA-N 1 3 343.471 3.116 20 5 EGBDHO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC001336874899 1389193068 /nfs/dbraw/zinc/19/30/68/1389193068.db2.gz WVZUTCHMLCNCNP-HUUCEWRRSA-N 1 3 335.448 3.376 20 5 EGBDHO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(CC)C2)cc1[N+](=O)[O-] ZINC001336874896 1389193394 /nfs/dbraw/zinc/19/33/94/1389193394.db2.gz WVZUTCHMLCNCNP-CABCVRRESA-N 1 3 335.448 3.376 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000449101613 310037200 /nfs/dbraw/zinc/03/72/00/310037200.db2.gz FYYISUNYANEUIZ-ZACQAIPSSA-N 1 3 349.475 3.005 20 5 EGBDHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856888 455603514 /nfs/dbraw/zinc/60/35/14/455603514.db2.gz BKQWLAVUGWVRCN-AWEZNQCLSA-N 1 3 342.443 3.480 20 5 EGBDHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856888 455603516 /nfs/dbraw/zinc/60/35/16/455603516.db2.gz BKQWLAVUGWVRCN-AWEZNQCLSA-N 1 3 342.443 3.480 20 5 EGBDHO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C2CCC2)C1 ZINC000185736359 455609934 /nfs/dbraw/zinc/60/99/34/455609934.db2.gz IOKGLUOUZZYFFJ-HOTGVXAUSA-N 1 3 347.459 3.216 20 5 EGBDHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000187012819 528664011 /nfs/dbraw/zinc/66/40/11/528664011.db2.gz QFSXZIROJOVLEI-CRAIPNDOSA-N 1 3 349.475 3.130 20 5 EGBDHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170683358 1384365341 /nfs/dbraw/zinc/36/53/41/1384365341.db2.gz ZKZNIHBFIGVTQF-LBPRGKRZSA-N 1 3 349.394 3.070 20 5 EGBDHO Cc1c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037451 232065780 /nfs/dbraw/zinc/06/57/80/232065780.db2.gz YLUZKVIDHRSCHL-INMHGKMJSA-N 1 3 349.475 3.443 20 5 EGBDHO CCOc1ccc([C@@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195404 309066167 /nfs/dbraw/zinc/06/61/67/309066167.db2.gz UUSOJPOZHOJYRC-HUUCEWRRSA-N 1 3 335.448 3.376 20 5 EGBDHO CCOc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195404 309066168 /nfs/dbraw/zinc/06/61/68/309066168.db2.gz UUSOJPOZHOJYRC-HUUCEWRRSA-N 1 3 335.448 3.376 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCCC[C@@H]3CCC[NH2+]3)o2)c1 ZINC000414969114 309112273 /nfs/dbraw/zinc/11/22/73/309112273.db2.gz ITOHXMBQUDCQCU-OAHLLOKOSA-N 1 3 329.400 3.477 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322016 309282122 /nfs/dbraw/zinc/28/21/22/309282122.db2.gz DQPXWMJWFUEHGR-HZPDHXFCSA-N 1 3 347.459 3.204 20 5 EGBDHO COc1ccc([C@@H](CN)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403517 309286786 /nfs/dbraw/zinc/28/67/86/309286786.db2.gz LAMZUWNWJBASNI-YOEHRIQHSA-N 1 3 343.427 3.305 20 5 EGBDHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043558 309382608 /nfs/dbraw/zinc/38/26/08/309382608.db2.gz PAGYLDNMSFYCDY-DYVFJYSZSA-N 1 3 347.846 3.339 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(C)CCC[NH2+]C1 ZINC000423349476 309396685 /nfs/dbraw/zinc/39/66/85/309396685.db2.gz VRQMOGMOHKNZLR-YOEHRIQHSA-N 1 3 337.489 3.445 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423349476 309396686 /nfs/dbraw/zinc/39/66/86/309396686.db2.gz VRQMOGMOHKNZLR-YOEHRIQHSA-N 1 3 337.489 3.445 20 5 EGBDHO Cc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247052080 455551750 /nfs/dbraw/zinc/55/17/50/455551750.db2.gz OYSIRHURNKFESV-ULQDDVLXSA-N 1 3 349.475 3.443 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCN(C)CC1 ZINC000271849952 455786102 /nfs/dbraw/zinc/78/61/02/455786102.db2.gz IKUNTOQRWVEKBR-HNNXBMFYSA-N 1 3 335.473 3.317 20 5 EGBDHO C[N@@H+]1CCC[C@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734158 458462069 /nfs/dbraw/zinc/46/20/69/458462069.db2.gz OGAMHNSNTIHPLC-GFCCVEGCSA-N 1 3 343.374 3.018 20 5 EGBDHO C[N@H+]1CCC[C@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734158 458462074 /nfs/dbraw/zinc/46/20/74/458462074.db2.gz OGAMHNSNTIHPLC-GFCCVEGCSA-N 1 3 343.374 3.018 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283167 458603482 /nfs/dbraw/zinc/60/34/82/458603482.db2.gz AXDFBHKBYKHXFI-OAHLLOKOSA-N 1 3 347.459 3.346 20 5 EGBDHO CCC[NH+]1CCC(NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000591260860 459343936 /nfs/dbraw/zinc/34/39/36/459343936.db2.gz ICSYDCVTXFRSPE-UHFFFAOYSA-N 1 3 325.840 3.255 20 5 EGBDHO [NH3+]CC1(c2ccccc2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000903794412 1317737031 /nfs/dbraw/zinc/73/70/31/1317737031.db2.gz UDTCZDSZHQNBAM-UHFFFAOYSA-N 1 3 325.412 3.087 20 5 EGBDHO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H](N)CCC[NH3+] ZINC001160735739 1382181812 /nfs/dbraw/zinc/18/18/12/1382181812.db2.gz YFRYRAMIXTWTQC-HXUWFJFHSA-N 1 3 335.451 3.018 20 5 EGBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2ccc3cccnc3c2n1 ZINC001163123244 1382970469 /nfs/dbraw/zinc/97/04/69/1382970469.db2.gz ZVOQMSSFFODIHP-UHFFFAOYSA-N 1 3 336.443 3.061 20 5 EGBDHO CCN(Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030344 1384094316 /nfs/dbraw/zinc/09/43/16/1384094316.db2.gz YXZDQJHTPKXTLT-ICSRJNTNSA-N 1 3 345.487 3.418 20 5 EGBDHO C[N@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049138 1384100545 /nfs/dbraw/zinc/10/05/45/1384100545.db2.gz VZMXLPZCCOBEHL-APWZRJJASA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049138 1384100547 /nfs/dbraw/zinc/10/05/47/1384100547.db2.gz VZMXLPZCCOBEHL-APWZRJJASA-N 1 3 349.450 3.167 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134932043 454610644 /nfs/dbraw/zinc/61/06/44/454610644.db2.gz ORESVFSAKUYRPP-VQIMIIECSA-N 1 3 329.444 3.086 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134932043 454610646 /nfs/dbraw/zinc/61/06/46/454610646.db2.gz ORESVFSAKUYRPP-VQIMIIECSA-N 1 3 329.444 3.086 20 5 EGBDHO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185692925 455598301 /nfs/dbraw/zinc/59/83/01/455598301.db2.gz YOPNAVZWRRSZGT-CVEARBPZSA-N 1 3 347.459 3.216 20 5 EGBDHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580193 458315585 /nfs/dbraw/zinc/31/55/85/458315585.db2.gz NNHLEIHVQYSXIH-CVEARBPZSA-N 1 3 349.479 3.128 20 5 EGBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000468653411 458529015 /nfs/dbraw/zinc/52/90/15/458529015.db2.gz OVFLZRQMZIEQAX-RVDMUPIBSA-N 1 3 329.444 3.462 20 5 EGBDHO CCC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154280909 528218621 /nfs/dbraw/zinc/21/86/21/528218621.db2.gz OBDRYNDYGYYJIH-IBGZPJMESA-N 1 3 348.491 3.053 20 5 EGBDHO C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@H](O)CN ZINC000841091855 1321217255 /nfs/dbraw/zinc/21/72/55/1321217255.db2.gz HTXNSVAGKAPSTF-CYBMUJFWSA-N 1 3 328.843 3.398 20 5 EGBDHO C[N@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@H](O)CN ZINC000841091855 1321217257 /nfs/dbraw/zinc/21/72/57/1321217257.db2.gz HTXNSVAGKAPSTF-CYBMUJFWSA-N 1 3 328.843 3.398 20 5 EGBDHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000346852150 156165183 /nfs/dbraw/zinc/16/51/83/156165183.db2.gz WKFMKWYTOXHFMW-KBRIMQKVSA-N 1 3 327.384 3.024 20 5 EGBDHO C[NH+]1CCC(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113336316 162208655 /nfs/dbraw/zinc/20/86/55/162208655.db2.gz XZOYLSMBLUEAHM-UHFFFAOYSA-N 1 3 346.456 3.150 20 5 EGBDHO C[NH+](C)CCCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123278915 307537497 /nfs/dbraw/zinc/53/74/97/307537497.db2.gz MQTCPJPXOIEKPY-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000414809122 309102707 /nfs/dbraw/zinc/10/27/07/309102707.db2.gz TYTKJXZDOZZEDQ-KRWDZBQOSA-N 1 3 340.427 3.190 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C[NH3+])CC(C)C ZINC000423257847 309392610 /nfs/dbraw/zinc/39/26/10/309392610.db2.gz AIPQDTPDFDRUKU-KBPBESRZSA-N 1 3 325.478 3.429 20 5 EGBDHO CC[NH+](CC)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488266061 311058625 /nfs/dbraw/zinc/05/86/25/311058625.db2.gz HJFQHMIWVOFRSO-UHFFFAOYSA-N 1 3 335.448 3.027 20 5 EGBDHO CC[NH+](CC)CCO[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030517 311130417 /nfs/dbraw/zinc/13/04/17/311130417.db2.gz LVRNYVNYTPLMKS-SJLPKXTDSA-N 1 3 349.475 3.397 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)CC[NH+](C)C ZINC000504900508 312011908 /nfs/dbraw/zinc/01/19/08/312011908.db2.gz ZBSWBLULFDKUBR-KBPBESRZSA-N 1 3 325.478 3.395 20 5 EGBDHO CCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000515236040 312273017 /nfs/dbraw/zinc/27/30/17/312273017.db2.gz STQIAMNCUPQEOH-ZDUSSCGKSA-N 1 3 329.400 3.303 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000600678628 460566700 /nfs/dbraw/zinc/56/67/00/460566700.db2.gz NQXPYVYMTIZHNL-LESCRADOSA-N 1 3 329.444 3.180 20 5 EGBDHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249459036 455756733 /nfs/dbraw/zinc/75/67/33/455756733.db2.gz QFSXZIROJOVLEI-YJBOKZPZSA-N 1 3 349.475 3.130 20 5 EGBDHO C[NH2+]CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347151267 457258653 /nfs/dbraw/zinc/25/86/53/457258653.db2.gz ZUFRXIDQUYYWEM-UHFFFAOYSA-N 1 3 329.400 3.286 20 5 EGBDHO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447607377 458322050 /nfs/dbraw/zinc/32/20/50/458322050.db2.gz RTKSIVXQITXMDO-ZACQAIPSSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@H](CCN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607377 458322056 /nfs/dbraw/zinc/32/20/56/458322056.db2.gz RTKSIVXQITXMDO-ZACQAIPSSA-N 1 3 349.479 3.129 20 5 EGBDHO CC[N@@H+]1CC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431165 458854552 /nfs/dbraw/zinc/85/45/52/458854552.db2.gz BBEQUAKWYCWIBD-DOMZBBRYSA-N 1 3 325.840 3.111 20 5 EGBDHO CC[N@H+]1CC[C@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431165 458854556 /nfs/dbraw/zinc/85/45/56/458854556.db2.gz BBEQUAKWYCWIBD-DOMZBBRYSA-N 1 3 325.840 3.111 20 5 EGBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322014 309282104 /nfs/dbraw/zinc/28/21/04/309282104.db2.gz DQPXWMJWFUEHGR-CVEARBPZSA-N 1 3 347.459 3.204 20 5 EGBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000449062057 310033956 /nfs/dbraw/zinc/03/39/56/310033956.db2.gz KTDUDZXUTBKEID-OAHLLOKOSA-N 1 3 327.428 3.377 20 5 EGBDHO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C2CCC2)C1 ZINC000185723465 455606287 /nfs/dbraw/zinc/60/62/87/455606287.db2.gz UPZFKNOMHIPFLB-HZPDHXFCSA-N 1 3 347.459 3.216 20 5 EGBDHO CC[N@@H+]1CC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431166 458854959 /nfs/dbraw/zinc/85/49/59/458854959.db2.gz BBEQUAKWYCWIBD-IUODEOHRSA-N 1 3 325.840 3.111 20 5 EGBDHO CC[N@H+]1CC[C@@H](NCCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431166 458854961 /nfs/dbraw/zinc/85/49/61/458854961.db2.gz BBEQUAKWYCWIBD-IUODEOHRSA-N 1 3 325.840 3.111 20 5 EGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001173215312 1384937711 /nfs/dbraw/zinc/93/77/11/1384937711.db2.gz UTEFHMVKJMFHNW-BRWVUGGUSA-N 1 3 333.476 3.483 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000346836758 156158234 /nfs/dbraw/zinc/15/82/34/156158234.db2.gz VOBVDRLQLHLROF-BMGDILEWSA-N 1 3 341.411 3.414 20 5 EGBDHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493888 455659184 /nfs/dbraw/zinc/65/91/84/455659184.db2.gz KVZHCZTXESYTSQ-FHWLQOOXSA-N 1 3 347.459 3.013 20 5 EGBDHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209183 457131979 /nfs/dbraw/zinc/13/19/79/457131979.db2.gz QKMLURYKTZASKX-DOTOQJQBSA-N 1 3 335.448 3.168 20 5 EGBDHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209183 457131984 /nfs/dbraw/zinc/13/19/84/457131984.db2.gz QKMLURYKTZASKX-DOTOQJQBSA-N 1 3 335.448 3.168 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CN(C)C ZINC000425935395 457655469 /nfs/dbraw/zinc/65/54/69/457655469.db2.gz DCVPLZFCQJRWCW-KBPBESRZSA-N 1 3 325.478 3.253 20 5 EGBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H](C)C[NH+](C)C ZINC000425935395 457655479 /nfs/dbraw/zinc/65/54/79/457655479.db2.gz DCVPLZFCQJRWCW-KBPBESRZSA-N 1 3 325.478 3.253 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736239 459966669 /nfs/dbraw/zinc/96/66/69/459966669.db2.gz KHQKOXUBOXQTHN-IUVQAAGXSA-N 1 3 347.459 3.183 20 5 EGBDHO C[NH+]1CCC(CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602544081 459990615 /nfs/dbraw/zinc/99/06/15/459990615.db2.gz IVISQRPMGMMURM-UHFFFAOYSA-N 1 3 345.365 3.435 20 5 EGBDHO C[NH+]1CCC([C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000589197684 460051517 /nfs/dbraw/zinc/05/15/17/460051517.db2.gz UANRJTBIDHEGCM-WLPBJKJWSA-N 1 3 329.444 3.272 20 5 EGBDHO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000415012390 309114248 /nfs/dbraw/zinc/11/42/48/309114248.db2.gz SLZDCAGHDADLGV-DLBZAZTESA-N 1 3 341.411 3.333 20 5 EGBDHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318906 309201460 /nfs/dbraw/zinc/20/14/60/309201460.db2.gz ZQXNPBPZHIUACP-MJGOQNOKSA-N 1 3 349.475 3.309 20 5 EGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423041361 309382540 /nfs/dbraw/zinc/38/25/40/309382540.db2.gz IZAILAQOMYVUBD-XHSDSOJGSA-N 1 3 337.851 3.301 20 5 EGBDHO CCC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154393583 454892321 /nfs/dbraw/zinc/89/23/21/454892321.db2.gz WWXOZGYJZAGHRO-LJQANCHMSA-N 1 3 348.491 3.053 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CCN(C)CC1 ZINC000271849956 455785998 /nfs/dbraw/zinc/78/59/98/455785998.db2.gz IKUNTOQRWVEKBR-OAHLLOKOSA-N 1 3 335.473 3.317 20 5 EGBDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603609 456010576 /nfs/dbraw/zinc/01/05/76/456010576.db2.gz JJFXWXPFVPOYIG-LALPHHSUSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603609 456010578 /nfs/dbraw/zinc/01/05/78/456010578.db2.gz JJFXWXPFVPOYIG-LALPHHSUSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373698 458125189 /nfs/dbraw/zinc/12/51/89/458125189.db2.gz OCQDKMOWLQFUAC-CHWSQXEVSA-N 1 3 331.441 3.492 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736236 459967131 /nfs/dbraw/zinc/96/71/31/459967131.db2.gz KHQKOXUBOXQTHN-FPXQBCRKSA-N 1 3 347.459 3.183 20 5 EGBDHO NC[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O ZINC001206511838 1371078088 /nfs/dbraw/zinc/07/80/88/1371078088.db2.gz DHYYJZLDRAQLMH-ICSRJNTNSA-N 1 3 330.431 3.335 20 5 EGBDHO NC[C@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O ZINC001206511838 1371078092 /nfs/dbraw/zinc/07/80/92/1371078092.db2.gz DHYYJZLDRAQLMH-ICSRJNTNSA-N 1 3 330.431 3.335 20 5 EGBDHO COc1ccc(C[C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307594 1384287045 /nfs/dbraw/zinc/28/70/45/1384287045.db2.gz HWVSWCMQCWLLRE-HZPDHXFCSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307594 1384287047 /nfs/dbraw/zinc/28/70/47/1384287047.db2.gz HWVSWCMQCWLLRE-HZPDHXFCSA-N 1 3 349.475 3.389 20 5 EGBDHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307594 1384287051 /nfs/dbraw/zinc/28/70/51/1384287051.db2.gz HWVSWCMQCWLLRE-HZPDHXFCSA-N 1 3 349.475 3.389 20 5 EGBDHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001348903277 1391281559 /nfs/dbraw/zinc/28/15/59/1391281559.db2.gz RNXUGWKUZHSXPT-UHFFFAOYSA-N 1 3 331.441 3.327 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039642 232066653 /nfs/dbraw/zinc/06/66/53/232066653.db2.gz OCPBTNRUOPHABC-JYJNAYRXSA-N 1 3 335.448 3.135 20 5 EGBDHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298437435 132390730 /nfs/dbraw/zinc/39/07/30/132390730.db2.gz NFRKGRYASWVMDR-AWEZNQCLSA-N 1 3 326.400 3.309 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000346848811 156162678 /nfs/dbraw/zinc/16/26/78/156162678.db2.gz RLMORLSAEQEMGL-BMGDILEWSA-N 1 3 341.411 3.414 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000414972066 309112320 /nfs/dbraw/zinc/11/23/20/309112320.db2.gz LVGZTMLSUDYUBU-OAHLLOKOSA-N 1 3 329.400 3.477 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390698 309285882 /nfs/dbraw/zinc/28/58/82/309285882.db2.gz ZRJLXMCXZFHPPN-JVPBZIDWSA-N 1 3 347.459 3.183 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C[NH3+])CC(C)C ZINC000423257853 309392691 /nfs/dbraw/zinc/39/26/91/309392691.db2.gz AIPQDTPDFDRUKU-ZIAGYGMSSA-N 1 3 325.478 3.429 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000536858806 314150529 /nfs/dbraw/zinc/15/05/29/314150529.db2.gz SIEDCJJGNUDLLX-BBWFWOEESA-N 1 3 349.475 3.443 20 5 EGBDHO C[NH+](C)Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570411692 317052081 /nfs/dbraw/zinc/05/20/81/317052081.db2.gz QDLULQFVKKUXIG-SFHVURJKSA-N 1 3 325.412 3.434 20 5 EGBDHO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185736318 455610332 /nfs/dbraw/zinc/61/03/32/455610332.db2.gz IOKGLUOUZZYFFJ-JKSUJKDBSA-N 1 3 347.459 3.216 20 5 EGBDHO C[NH+]1CCC([C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000589197683 460050532 /nfs/dbraw/zinc/05/05/32/460050532.db2.gz UANRJTBIDHEGCM-SUZKBHRPSA-N 1 3 329.444 3.272 20 5 EGBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001168996062 1384082124 /nfs/dbraw/zinc/08/21/24/1384082124.db2.gz URHYPPKLWAANQA-AEFFLSMTSA-N 1 3 349.450 3.073 20 5 EGBDHO COc1ccc(C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295230 1384284661 /nfs/dbraw/zinc/28/46/61/1384284661.db2.gz BJCWIGFSRJFNOI-MRXNPFEDSA-N 1 3 349.475 3.246 20 5 EGBDHO COc1ccc(C[C@@H](C)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295230 1384284663 /nfs/dbraw/zinc/28/46/63/1384284663.db2.gz BJCWIGFSRJFNOI-MRXNPFEDSA-N 1 3 349.475 3.246 20 5 EGBDHO CCOc1ccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195405 309066203 /nfs/dbraw/zinc/06/62/03/309066203.db2.gz UUSOJPOZHOJYRC-LSDHHAIUSA-N 1 3 335.448 3.376 20 5 EGBDHO CCOc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195405 309066204 /nfs/dbraw/zinc/06/62/04/309066204.db2.gz UUSOJPOZHOJYRC-LSDHHAIUSA-N 1 3 335.448 3.376 20 5 EGBDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275636 309393664 /nfs/dbraw/zinc/39/36/64/309393664.db2.gz MARUHEHAPUTAHW-UBDQQSCGSA-N 1 3 331.460 3.413 20 5 EGBDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603611 456009614 /nfs/dbraw/zinc/00/96/14/456009614.db2.gz JJFXWXPFVPOYIG-XUJVJEKNSA-N 1 3 325.840 3.109 20 5 EGBDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603611 456009616 /nfs/dbraw/zinc/00/96/16/456009616.db2.gz JJFXWXPFVPOYIG-XUJVJEKNSA-N 1 3 325.840 3.109 20 5 EGBDHO CCC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150978223 454920763 /nfs/dbraw/zinc/92/07/63/454920763.db2.gz KEFXYBMIRJJALT-LJQANCHMSA-N 1 3 348.491 3.052 20 5 EGBDHO CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247250446 455579053 /nfs/dbraw/zinc/57/90/53/455579053.db2.gz ZPWMWVNURYKUQA-MAUKXSAKSA-N 1 3 331.460 3.237 20 5 EGBDHO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493891 455659304 /nfs/dbraw/zinc/65/93/04/455659304.db2.gz KVZHCZTXESYTSQ-GBESFXJTSA-N 1 3 347.459 3.013 20 5 EGBDHO C[C@@H]([NH3+])C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347114516 457236508 /nfs/dbraw/zinc/23/65/08/457236508.db2.gz TYCXJWSWNOSWNP-CYBMUJFWSA-N 1 3 329.400 3.414 20 5 EGBDHO CN1CCCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070095 460150201 /nfs/dbraw/zinc/15/02/01/460150201.db2.gz KUODJMAQTKOPFQ-CRAIPNDOSA-N 1 3 331.460 3.237 20 5 EGBDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115628088 1293192517 /nfs/dbraw/zinc/19/25/17/1293192517.db2.gz RIHCSKNHBIMFRP-SJLPKXTDSA-N 1 3 349.475 3.130 20 5 EGBDHO C[N@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046377 1384100256 /nfs/dbraw/zinc/10/02/56/1384100256.db2.gz LNHRGAQQGKTICD-VQIMIIECSA-N 1 3 349.450 3.167 20 5 EGBDHO C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046377 1384100264 /nfs/dbraw/zinc/10/02/64/1384100264.db2.gz LNHRGAQQGKTICD-VQIMIIECSA-N 1 3 349.450 3.167 20 5 EGBDHO CCCN(CCC[NH+](C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353807 1384299530 /nfs/dbraw/zinc/29/95/30/1384299530.db2.gz FIPWDGPVXGVRKA-HNNXBMFYSA-N 1 3 337.464 3.198 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260263 168099587 /nfs/dbraw/zinc/09/95/87/168099587.db2.gz QTZNYVLWZIFWEZ-KSZLIROESA-N 1 3 329.444 3.132 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260263 168099588 /nfs/dbraw/zinc/09/95/88/168099588.db2.gz QTZNYVLWZIFWEZ-KSZLIROESA-N 1 3 329.444 3.132 20 5 EGBDHO [NH3+][C@H]1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012816 309114212 /nfs/dbraw/zinc/11/42/12/309114212.db2.gz XOCCGBBILHKGAI-JSGCOSHPSA-N 1 3 346.456 3.325 20 5 EGBDHO CCc1ccc([C@H](NCC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000582481440 325445110 /nfs/dbraw/zinc/44/51/10/325445110.db2.gz DLRLVBVDJPQVBJ-LJQANCHMSA-N 1 3 343.427 3.429 20 5 EGBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001173232477 1384941660 /nfs/dbraw/zinc/94/16/60/1384941660.db2.gz HBCMQTMKBTZCIN-HNNXBMFYSA-N 1 3 349.450 3.424 20 5 EGBDHO CC(C)c1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000344641889 144204062 /nfs/dbraw/zinc/20/40/62/144204062.db2.gz PNFHCEOJJXEOCH-UHFFFAOYSA-N 1 3 349.475 3.043 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2nc(CNCC[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414846700 309105243 /nfs/dbraw/zinc/10/52/43/309105243.db2.gz UXPGJIUTYPFFAP-ZDUSSCGKSA-N 1 3 346.456 3.198 20 5 EGBDHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043557 309382688 /nfs/dbraw/zinc/38/26/88/309382688.db2.gz PAGYLDNMSFYCDY-CXAGYDPISA-N 1 3 347.846 3.339 20 5 EGBDHO CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423432852 309400227 /nfs/dbraw/zinc/40/02/27/309400227.db2.gz JMBAOVJRXPSOIM-UHOFOFEASA-N 1 3 333.432 3.032 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000600678630 460566618 /nfs/dbraw/zinc/56/66/18/460566618.db2.gz NQXPYVYMTIZHNL-YXJHDRRASA-N 1 3 329.444 3.180 20 5 EGBDHO CCCN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000151098842 454937368 /nfs/dbraw/zinc/93/73/68/454937368.db2.gz ZPWMWVNURYKUQA-YJBOKZPZSA-N 1 3 331.460 3.237 20 5 EGBDHO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185692891 455598525 /nfs/dbraw/zinc/59/85/25/455598525.db2.gz YOPNAVZWRRSZGT-HZPDHXFCSA-N 1 3 347.459 3.216 20 5 EGBDHO C[C@H]([NH3+])C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347047974 457201930 /nfs/dbraw/zinc/20/19/30/457201930.db2.gz PGBHDIWFCUGIOD-ZDUSSCGKSA-N 1 3 329.400 3.414 20 5 EGBDHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373700 458123948 /nfs/dbraw/zinc/12/39/48/458123948.db2.gz OCQDKMOWLQFUAC-QWHCGFSZSA-N 1 3 331.441 3.492 20 5 EGBDHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506511 458301800 /nfs/dbraw/zinc/30/18/00/458301800.db2.gz CXYMHJRXORGIII-IXDOHACOSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506511 458301804 /nfs/dbraw/zinc/30/18/04/458301804.db2.gz CXYMHJRXORGIII-IXDOHACOSA-N 1 3 349.479 3.129 20 5 EGBDHO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506511 458301810 /nfs/dbraw/zinc/30/18/10/458301810.db2.gz CXYMHJRXORGIII-IXDOHACOSA-N 1 3 349.479 3.129 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433665 459600242 /nfs/dbraw/zinc/60/02/42/459600242.db2.gz OOAILWWNNBQFCW-KBPBESRZSA-N 1 3 337.851 3.460 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580614 1304173398 /nfs/dbraw/zinc/17/33/98/1304173398.db2.gz XFRVAFYMWSQFIT-LJQANCHMSA-N 1 3 349.475 3.072 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580614 1304173402 /nfs/dbraw/zinc/17/34/02/1304173402.db2.gz XFRVAFYMWSQFIT-LJQANCHMSA-N 1 3 349.475 3.072 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127256 1321474006 /nfs/dbraw/zinc/47/40/06/1321474006.db2.gz PCPIFSKDNDETND-HUUCEWRRSA-N 1 3 337.851 3.460 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC1CC[NH+](CC2CC2)CC1 ZINC000866239923 1330083568 /nfs/dbraw/zinc/08/35/68/1330083568.db2.gz WVTAJAPMLVZWMX-ZDUSSCGKSA-N 1 3 335.423 3.129 20 5 EGBDHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039652 232066867 /nfs/dbraw/zinc/06/68/67/232066867.db2.gz OCPBTNRUOPHABC-OAGGEKHMSA-N 1 3 335.448 3.135 20 5 EGBDHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000414670816 309094750 /nfs/dbraw/zinc/09/47/50/309094750.db2.gz NAVKNEBUQHJFKF-VBNZEHGJSA-N 1 3 343.452 3.492 20 5 EGBDHO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CN)C2CC2)cc1[N+](=O)[O-] ZINC000414809124 309102890 /nfs/dbraw/zinc/10/28/90/309102890.db2.gz TYTKJXZDOZZEDQ-QGZVFWFLSA-N 1 3 340.427 3.190 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCC[C@@H]3CCC[NH2+]C3)o2)c1 ZINC000414855154 309105780 /nfs/dbraw/zinc/10/57/80/309105780.db2.gz VTASXLCEOFANMO-AWEZNQCLSA-N 1 3 329.400 3.334 20 5 EGBDHO [NH3+][C@H]1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012817 309114196 /nfs/dbraw/zinc/11/41/96/309114196.db2.gz XOCCGBBILHKGAI-OCCSQVGLSA-N 1 3 346.456 3.325 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390692 309285945 /nfs/dbraw/zinc/28/59/45/309285945.db2.gz ZRJLXMCXZFHPPN-GDIGMMSISA-N 1 3 347.459 3.183 20 5 EGBDHO O=[N+]([O-])c1cc(Cl)ccc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423041358 309382610 /nfs/dbraw/zinc/38/26/10/309382610.db2.gz IZAILAQOMYVUBD-ARFHVFGLSA-N 1 3 337.851 3.301 20 5 EGBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000423388923 309398160 /nfs/dbraw/zinc/39/81/60/309398160.db2.gz NUBJICCGFUFHMD-IBGZPJMESA-N 1 3 337.423 3.309 20 5 EGBDHO Cc1c(CNCc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000616483654 460568948 /nfs/dbraw/zinc/56/89/48/460568948.db2.gz WAOHTBSPNGJDCU-UHFFFAOYSA-N 1 3 343.427 3.133 20 5 EGBDHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000162519903 454780973 /nfs/dbraw/zinc/78/09/73/454780973.db2.gz OAYXEAPDXLMXQG-HNNXBMFYSA-N 1 3 343.427 3.386 20 5 EGBDHO C[N@@H+]1CCC[C@@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734162 458462231 /nfs/dbraw/zinc/46/22/31/458462231.db2.gz OGAMHNSNTIHPLC-LBPRGKRZSA-N 1 3 343.374 3.018 20 5 EGBDHO C[N@H+]1CCC[C@@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734162 458462233 /nfs/dbraw/zinc/46/22/33/458462233.db2.gz OGAMHNSNTIHPLC-LBPRGKRZSA-N 1 3 343.374 3.018 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594735644 459145981 /nfs/dbraw/zinc/14/59/81/459145981.db2.gz MBPWUTSZYZGFFN-WEBJUUICSA-N 1 3 329.444 3.320 20 5 EGBDHO CC[NH+](CC)CCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602587188 460012451 /nfs/dbraw/zinc/01/24/51/460012451.db2.gz PKRQDLAVHKKMKR-CYBMUJFWSA-N 1 3 334.420 3.336 20 5 EGBDHO CSC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810171291 1317967606 /nfs/dbraw/zinc/96/76/06/1317967606.db2.gz ZPDMNQMPMMLZHR-UHFFFAOYSA-N 1 3 343.880 3.165 20 5 EGBDHO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccnc(N)c1 ZINC001206568089 1371095750 /nfs/dbraw/zinc/09/57/50/1371095750.db2.gz GHTGXCQVWYUXNX-UHFFFAOYSA-N 1 3 345.406 3.221 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246840517 141037238 /nfs/dbraw/zinc/03/72/38/141037238.db2.gz ORESVFSAKUYRPP-QFBILLFUSA-N 1 3 329.444 3.086 20 5 EGBDHO O=[N+]([O-])c1ccc(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246840517 141037240 /nfs/dbraw/zinc/03/72/40/141037240.db2.gz ORESVFSAKUYRPP-QFBILLFUSA-N 1 3 329.444 3.086 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCCC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414972065 309112310 /nfs/dbraw/zinc/11/23/10/309112310.db2.gz LVGZTMLSUDYUBU-HNNXBMFYSA-N 1 3 329.400 3.477 20 5 EGBDHO COc1ccc([C@H](CN)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403515 309286751 /nfs/dbraw/zinc/28/67/51/309286751.db2.gz LAMZUWNWJBASNI-WMLDXEAASA-N 1 3 343.427 3.305 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(C)CCC[NH2+]C1 ZINC000423349473 309396586 /nfs/dbraw/zinc/39/65/86/309396586.db2.gz VRQMOGMOHKNZLR-PBHICJAKSA-N 1 3 337.489 3.445 20 5 EGBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCNC1 ZINC000423349473 309396587 /nfs/dbraw/zinc/39/65/87/309396587.db2.gz VRQMOGMOHKNZLR-PBHICJAKSA-N 1 3 337.489 3.445 20 5 EGBDHO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC4(CC[NH2+]C4)CC3)o2)c1 ZINC000430899072 309620377 /nfs/dbraw/zinc/62/03/77/309620377.db2.gz GTWHHJJHHNXVLD-UHFFFAOYSA-N 1 3 341.411 3.430 20 5 EGBDHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856891 455604049 /nfs/dbraw/zinc/60/40/49/455604049.db2.gz BKQWLAVUGWVRCN-CQSZACIVSA-N 1 3 342.443 3.480 20 5 EGBDHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856891 455604054 /nfs/dbraw/zinc/60/40/54/455604054.db2.gz BKQWLAVUGWVRCN-CQSZACIVSA-N 1 3 342.443 3.480 20 5 EGBDHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271488582 455656961 /nfs/dbraw/zinc/65/69/61/455656961.db2.gz KBYKQOOFDKNBNA-ZOCIIQOWSA-N 1 3 347.459 3.013 20 5 EGBDHO C[NH+]1CCC(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602544550 459990010 /nfs/dbraw/zinc/99/00/10/459990010.db2.gz LHVNTCZRQIVCBZ-UHFFFAOYSA-N 1 3 331.338 3.045 20 5 EGBDHO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127255 1321474174 /nfs/dbraw/zinc/47/41/74/1321474174.db2.gz PCPIFSKDNDETND-GJZGRUSLSA-N 1 3 337.851 3.460 20 5 EGBDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262006 1330087089 /nfs/dbraw/zinc/08/70/89/1330087089.db2.gz ZBVHAYIFKNUXIZ-CABCVRRESA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262006 1330087092 /nfs/dbraw/zinc/08/70/92/1330087092.db2.gz ZBVHAYIFKNUXIZ-CABCVRRESA-N 1 3 337.439 3.375 20 5 EGBDHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262006 1330087095 /nfs/dbraw/zinc/08/70/95/1330087095.db2.gz ZBVHAYIFKNUXIZ-CABCVRRESA-N 1 3 337.439 3.375 20 5 EGBDHO N[C@H](CCC[NH3+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170900979 1384407828 /nfs/dbraw/zinc/40/78/28/1384407828.db2.gz SKTCHJYJFUIYQJ-INIZCTEOSA-N 1 3 332.429 3.182 20 5 EGBDHO CC[NH+](CC)CCOCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433225452 309682806 /nfs/dbraw/zinc/68/28/06/309682806.db2.gz BTKICJXWYTVSNP-SFHVURJKSA-N 1 3 349.475 3.265 20 5 EGBDHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212951 310045067 /nfs/dbraw/zinc/04/50/67/310045067.db2.gz UMSMKTSIXNDRNB-IAGOWNOFSA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212951 310045068 /nfs/dbraw/zinc/04/50/68/310045068.db2.gz UMSMKTSIXNDRNB-IAGOWNOFSA-N 1 3 333.476 3.483 20 5 EGBDHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212951 310045069 /nfs/dbraw/zinc/04/50/69/310045069.db2.gz UMSMKTSIXNDRNB-IAGOWNOFSA-N 1 3 333.476 3.483 20 5 EGBDHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209186 457131527 /nfs/dbraw/zinc/13/15/27/457131527.db2.gz QKMLURYKTZASKX-WBVHZDCISA-N 1 3 335.448 3.168 20 5 EGBDHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209186 457131532 /nfs/dbraw/zinc/13/15/32/457131532.db2.gz QKMLURYKTZASKX-WBVHZDCISA-N 1 3 335.448 3.168 20 5 EGBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296683 457801799 /nfs/dbraw/zinc/80/17/99/457801799.db2.gz SYSXTQDWIXSSEF-YJBOKZPZSA-N 1 3 349.475 3.264 20 5 EGBDHO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000591281846 459347255 /nfs/dbraw/zinc/34/72/55/459347255.db2.gz OUOZJEFBYIEKPW-QGZVFWFLSA-N 1 3 327.384 3.087 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433712 459600059 /nfs/dbraw/zinc/60/00/59/459600059.db2.gz PPLXAVZENZHAKO-PGHYUYILSA-N 1 3 329.444 3.320 20 5 EGBDHO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865218 528607445 /nfs/dbraw/zinc/60/74/45/528607445.db2.gz UGUSMMHSVRWPLY-KBPBESRZSA-N 1 3 333.432 3.128 20 5 EGBDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000734510143 575504799 /nfs/dbraw/zinc/50/47/99/575504799.db2.gz RIHCSKNHBIMFRP-WMZOPIPTSA-N 1 3 349.475 3.130 20 5 EGBDHO COCC[N@H+](C)CCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000122046618 152387294 /nfs/dbraw/zinc/38/72/94/152387294.db2.gz WGCYJWUUASPACK-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000122046618 152387296 /nfs/dbraw/zinc/38/72/96/152387296.db2.gz WGCYJWUUASPACK-UHFFFAOYSA-N 1 3 349.475 3.165 20 5 EGBDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000346822074 156153074 /nfs/dbraw/zinc/15/30/74/156153074.db2.gz FDUPIZSKTFGOKH-IAOVAPTHSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293567004 308142609 /nfs/dbraw/zinc/14/26/09/308142609.db2.gz DGMRWYZUDAVWSN-ZDUSSCGKSA-N 1 3 328.416 3.089 20 5 EGBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCCC[C@@H]2CCC[NH2+]2)o1 ZINC000414962235 309111644 /nfs/dbraw/zinc/11/16/44/309111644.db2.gz BWRKAGBEQPEABL-CQSZACIVSA-N 1 3 329.400 3.477 20 5 EGBDHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368845 458120665 /nfs/dbraw/zinc/12/06/65/458120665.db2.gz CESIZNXTLUBVFU-STQMWFEESA-N 1 3 331.441 3.492 20 5 EGBDHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000442930083 459062728 /nfs/dbraw/zinc/06/27/28/459062728.db2.gz SODIHQVLFHMSEX-AWEZNQCLSA-N 1 3 329.400 3.416 20 5 EGBDHO O=[N+]([O-])c1cccc([C@H](NCC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000574307657 459805280 /nfs/dbraw/zinc/80/52/80/459805280.db2.gz YSKFYAAOHCDRTO-LJQANCHMSA-N 1 3 325.412 3.273 20 5 EGBDHO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865399 528607423 /nfs/dbraw/zinc/60/74/23/528607423.db2.gz UGUSMMHSVRWPLY-UONOGXRCSA-N 1 3 333.432 3.128 20 5 EGBDHO NC[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001206463727 1371062459 /nfs/dbraw/zinc/06/24/59/1371062459.db2.gz DHYYJZLDRAQLMH-AZUAARDMSA-N 1 3 330.431 3.335 20 5 EGBDHO NC[C@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001206463727 1371062462 /nfs/dbraw/zinc/06/24/62/1371062462.db2.gz DHYYJZLDRAQLMH-AZUAARDMSA-N 1 3 330.431 3.335 20 5 EGBDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000346822081 457178773 /nfs/dbraw/zinc/17/87/73/457178773.db2.gz FDUPIZSKTFGOKH-KBRIMQKVSA-N 1 3 341.411 3.414 20 5 EGBDHO C[C@@H]([NH3+])C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113282 457235472 /nfs/dbraw/zinc/23/54/72/457235472.db2.gz ROMXFZWEWSIXBP-CYBMUJFWSA-N 1 3 329.400 3.414 20 5 EGBDHO C[NH2+]CC1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113244 457235893 /nfs/dbraw/zinc/23/58/93/457235893.db2.gz RFUCZHXLWQIVLI-UHFFFAOYSA-N 1 3 329.400 3.286 20 5 EGBDHO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594735643 459146442 /nfs/dbraw/zinc/14/64/42/459146442.db2.gz MBPWUTSZYZGFFN-UKTKYZJWSA-N 1 3 329.444 3.320 20 5 EGBDHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753160 528339325 /nfs/dbraw/zinc/33/93/25/528339325.db2.gz AUCFTNHLEZGYQB-LJQANCHMSA-N 1 3 349.475 3.072 20 5 EGBDHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753160 528339344 /nfs/dbraw/zinc/33/93/44/528339344.db2.gz AUCFTNHLEZGYQB-LJQANCHMSA-N 1 3 349.475 3.072 20 5 EGBDHO CCOc1ccc([C@@H](C)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153603899 528594585 /nfs/dbraw/zinc/59/45/85/528594585.db2.gz IBAVDHDBGSDTMG-CQSZACIVSA-N 1 3 335.448 3.376 20 5 EGBDHO CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000859214777 1328947861 /nfs/dbraw/zinc/94/78/61/1328947861.db2.gz SIYKQIIQSHVVPO-UHFFFAOYSA-N 1 3 343.427 3.167 20 5 EGBDHO CN(C1CC1)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918511 1384878399 /nfs/dbraw/zinc/87/83/99/1384878399.db2.gz BKBGPPUGHCTPSC-IBGZPJMESA-N 1 3 343.471 3.401 20 5 EGBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001173232481 1384941714 /nfs/dbraw/zinc/94/17/14/1384941714.db2.gz HBCMQTMKBTZCIN-OAHLLOKOSA-N 1 3 349.450 3.424 20 5 EGBDHO CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000296029867 308386662 /nfs/dbraw/zinc/38/66/62/308386662.db2.gz SSWHLOIJINJBPM-OHRKKDJYSA-N 1 3 333.432 3.269 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390702 309285967 /nfs/dbraw/zinc/28/59/67/309285967.db2.gz ZRJLXMCXZFHPPN-ZOCIIQOWSA-N 1 3 347.459 3.183 20 5 EGBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398367 309286294 /nfs/dbraw/zinc/28/62/94/309286294.db2.gz YLSRRLSMBOBBDG-URLQWDBASA-N 1 3 347.459 3.183 20 5 EGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399036 309398548 /nfs/dbraw/zinc/39/85/48/309398548.db2.gz UMUVCDPFZMCNOV-AWEZNQCLSA-N 1 3 325.412 3.309 20 5 EGBDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245468229 455309778 /nfs/dbraw/zinc/30/97/78/455309778.db2.gz SUAGQLDGADRDOI-BZUAXINKSA-N 1 3 335.448 3.135 20 5 EGBDHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247040723 455549823 /nfs/dbraw/zinc/54/98/23/455549823.db2.gz OCPBTNRUOPHABC-OWCLPIDISA-N 1 3 335.448 3.135 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432369823 458726720 /nfs/dbraw/zinc/72/67/20/458726720.db2.gz XIAQUSKELMGPSC-TXQCQQFXSA-N 1 3 347.459 3.089 20 5 EGBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432369823 458726726 /nfs/dbraw/zinc/72/67/26/458726726.db2.gz XIAQUSKELMGPSC-TXQCQQFXSA-N 1 3 347.459 3.089 20 5 EGBDHO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581235 459406391 /nfs/dbraw/zinc/40/63/91/459406391.db2.gz OWZIZVVHGPAMLT-MOPGFXCFSA-N 1 3 337.423 3.416 20 5 EGBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccc(C[NH3+])cc1F ZINC000593314320 459838173 /nfs/dbraw/zinc/83/81/73/459838173.db2.gz CVVYXSOYFOIHCU-ZDUSSCGKSA-N 1 3 331.391 3.304 20 5 EGBDHO CCOc1ccc([C@H](C)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947224 1319473642 /nfs/dbraw/zinc/47/36/42/1319473642.db2.gz AMJREOAANMCHIY-AWEZNQCLSA-N 1 3 343.427 3.346 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393433 1330105997 /nfs/dbraw/zinc/10/59/97/1330105997.db2.gz OEBAPHCGUBDWBN-GOEBONIOSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000866393433 1330105998 /nfs/dbraw/zinc/10/59/98/1330105998.db2.gz OEBAPHCGUBDWBN-GOEBONIOSA-N 1 3 349.450 3.377 20 5 EGBDHO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000866393433 1330105999 /nfs/dbraw/zinc/10/59/99/1330105999.db2.gz OEBAPHCGUBDWBN-GOEBONIOSA-N 1 3 349.450 3.377 20 5 EGBDHO