smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC001205390587 1091209825 /nfs/dbraw/zinc/20/98/25/1091209825.db2.gz BHPWJKSZNXPLMQ-CYBMUJFWSA-N 2 2 309.385 3.088 20 5 DGBDLP C[NH+](C)CCC[N@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219932 1097971173 /nfs/dbraw/zinc/97/11/73/1097971173.db2.gz XXVVBBNFXJBUKJ-UHFFFAOYSA-N 2 2 308.429 3.167 20 5 DGBDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219932 1097971178 /nfs/dbraw/zinc/97/11/78/1097971178.db2.gz XXVVBBNFXJBUKJ-UHFFFAOYSA-N 2 2 308.429 3.167 20 5 DGBDLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001308987944 1111506144 /nfs/dbraw/zinc/50/61/44/1111506144.db2.gz UYEDLSOWQNDTHD-GFCCVEGCSA-N 2 2 313.829 3.458 20 5 DGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000415063523 529611482 /nfs/dbraw/zinc/61/14/82/529611482.db2.gz IKYOGFUCTAGZHB-SFHVURJKSA-N 2 2 313.401 3.255 20 5 DGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000415063522 529616993 /nfs/dbraw/zinc/61/69/93/529616993.db2.gz IKYOGFUCTAGZHB-GOSISDBHSA-N 2 2 313.401 3.255 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3[nH+]ccn32)C2CC2)c1 ZINC000179694963 186206682 /nfs/dbraw/zinc/20/66/82/186206682.db2.gz CGXHAYTWOFDQQW-UHFFFAOYSA-N 2 2 322.368 3.407 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc3[nH+]ccn32)C2CC2)c1 ZINC000179694963 186206684 /nfs/dbraw/zinc/20/66/84/186206684.db2.gz CGXHAYTWOFDQQW-UHFFFAOYSA-N 2 2 322.368 3.407 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141373 /nfs/dbraw/zinc/14/13/73/284141373.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141374 /nfs/dbraw/zinc/14/13/74/284141374.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141375 /nfs/dbraw/zinc/14/13/75/284141375.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359763 284141376 /nfs/dbraw/zinc/14/13/76/284141376.db2.gz NKUJGQYPMXWKQL-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056433 400093404 /nfs/dbraw/zinc/09/34/04/400093404.db2.gz HGIXEBUPYNVNNQ-HOCLYGCPSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056433 400093412 /nfs/dbraw/zinc/09/34/12/400093412.db2.gz HGIXEBUPYNVNNQ-HOCLYGCPSA-N 2 2 319.449 3.378 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000595328708 400129159 /nfs/dbraw/zinc/12/91/59/400129159.db2.gz YWKYDOTZCDTLIJ-AWEZNQCLSA-N 2 2 321.396 3.042 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000595328708 400129162 /nfs/dbraw/zinc/12/91/62/400129162.db2.gz YWKYDOTZCDTLIJ-AWEZNQCLSA-N 2 2 321.396 3.042 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000595396190 400139733 /nfs/dbraw/zinc/13/97/33/400139733.db2.gz YYPOWEAJPQFWKP-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000595396190 400139738 /nfs/dbraw/zinc/13/97/38/400139738.db2.gz YYPOWEAJPQFWKP-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000602533938 400490899 /nfs/dbraw/zinc/49/08/99/400490899.db2.gz ZRQOIIDTWZQBDP-UHFFFAOYSA-N 2 2 324.384 3.236 20 5 DGBDLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000156339524 400709967 /nfs/dbraw/zinc/70/99/67/400709967.db2.gz WSOMDZJIRSHAGT-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)ccc2c[nH+]ccc21 ZINC000599018614 400927661 /nfs/dbraw/zinc/92/76/61/400927661.db2.gz BCOXDZCSPISSRJ-UHFFFAOYSA-N 2 2 300.362 3.041 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc2c[nH+]ccc21 ZINC000599019482 400928771 /nfs/dbraw/zinc/92/87/71/400928771.db2.gz MFSXUBXXACJEAL-GOEBONIOSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc2c[nH+]ccc21 ZINC000599019482 400928775 /nfs/dbraw/zinc/92/87/75/400928775.db2.gz MFSXUBXXACJEAL-GOEBONIOSA-N 2 2 312.373 3.182 20 5 DGBDLP CC[NH+](CC)C[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599026213 400930913 /nfs/dbraw/zinc/93/09/13/400930913.db2.gz DARUSUPFOZBHLL-GFCCVEGCSA-N 2 2 302.378 3.285 20 5 DGBDLP CC[NH+]1CCC(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599027383 400931890 /nfs/dbraw/zinc/93/18/90/400931890.db2.gz NGQZHHLCZLQOLG-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+](CCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599087571 400956788 /nfs/dbraw/zinc/95/67/88/400956788.db2.gz KUWLLEFQXDYFLU-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[N@@H+](CCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599087571 400956794 /nfs/dbraw/zinc/95/67/94/400956794.db2.gz KUWLLEFQXDYFLU-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000594496146 401079694 /nfs/dbraw/zinc/07/96/94/401079694.db2.gz ILMLZJGXZPJWAK-HNNXBMFYSA-N 2 2 312.373 3.069 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594517997 401095509 /nfs/dbraw/zinc/09/55/09/401095509.db2.gz GBGNLQUJKLZMDX-YZJPHSQXSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594517997 401095515 /nfs/dbraw/zinc/09/55/15/401095515.db2.gz GBGNLQUJKLZMDX-YZJPHSQXSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594517996 401095539 /nfs/dbraw/zinc/09/55/39/401095539.db2.gz GBGNLQUJKLZMDX-QWYBNYMASA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594517996 401095542 /nfs/dbraw/zinc/09/55/42/401095542.db2.gz GBGNLQUJKLZMDX-QWYBNYMASA-N 2 2 315.417 3.215 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000595004334 401225767 /nfs/dbraw/zinc/22/57/67/401225767.db2.gz PGHKTVOTKOUEAH-AWEZNQCLSA-N 2 2 321.421 3.130 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018986 /nfs/dbraw/zinc/01/89/86/196018986.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018988 /nfs/dbraw/zinc/01/89/88/196018988.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018990 /nfs/dbraw/zinc/01/89/90/196018990.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129099885 196018992 /nfs/dbraw/zinc/01/89/92/196018992.db2.gz QJVFIFZJCGUZOK-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347115800 264159755 /nfs/dbraw/zinc/15/97/55/264159755.db2.gz VMQPYZSPPQILLE-HWKANZROSA-N 2 2 315.417 3.072 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263980 /nfs/dbraw/zinc/26/39/80/265263980.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263984 /nfs/dbraw/zinc/26/39/84/265263984.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263990 /nfs/dbraw/zinc/26/39/90/265263990.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011378 265263993 /nfs/dbraw/zinc/26/39/93/265263993.db2.gz WSAYKPFNFGQBPS-QAPCUYQASA-N 2 2 317.433 3.244 20 5 DGBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226050 274233037 /nfs/dbraw/zinc/23/30/37/274233037.db2.gz ZMBRJTSVPQNFMS-BLLLJJGKSA-N 2 2 314.389 3.192 20 5 DGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420371894 274950738 /nfs/dbraw/zinc/95/07/38/274950738.db2.gz PVTXDCIGFNPGIA-AWEZNQCLSA-N 2 2 311.813 3.245 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000116279821 431497819 /nfs/dbraw/zinc/49/78/19/431497819.db2.gz MPYDEHKHCGFDGO-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP CC(C)[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368220 431830181 /nfs/dbraw/zinc/83/01/81/431830181.db2.gz JAQJFTFYAJTELG-UHFFFAOYSA-N 2 2 311.813 3.211 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396667 432496827 /nfs/dbraw/zinc/49/68/27/432496827.db2.gz MGAFNJJNGIROOX-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396667 432496832 /nfs/dbraw/zinc/49/68/32/432496832.db2.gz MGAFNJJNGIROOX-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396667 432496835 /nfs/dbraw/zinc/49/68/35/432496835.db2.gz MGAFNJJNGIROOX-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396667 432496839 /nfs/dbraw/zinc/49/68/39/432496839.db2.gz MGAFNJJNGIROOX-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266746951 432783985 /nfs/dbraw/zinc/78/39/85/432783985.db2.gz OWZBIJJAQZDUOK-CYBMUJFWSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762844 432785194 /nfs/dbraw/zinc/78/51/94/432785194.db2.gz QNTLUNXTZSLTGO-GFCCVEGCSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534342 290266775 /nfs/dbraw/zinc/26/67/75/290266775.db2.gz NGAKHMFSJFXASB-CABCVRRESA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534342 290266777 /nfs/dbraw/zinc/26/67/77/290266777.db2.gz NGAKHMFSJFXASB-CABCVRRESA-N 2 2 303.406 3.074 20 5 DGBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414834110 433866552 /nfs/dbraw/zinc/86/65/52/433866552.db2.gz GPHGGKZFCIIZGO-AWEZNQCLSA-N 2 2 317.389 3.318 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414869542 433895559 /nfs/dbraw/zinc/89/55/59/433895559.db2.gz RDEDUYZMHDRGFP-CYBMUJFWSA-N 2 2 317.414 3.165 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422708985 433942567 /nfs/dbraw/zinc/94/25/67/433942567.db2.gz CPKCFGOXMQCCOJ-DZGCQCFKSA-N 2 2 321.421 3.004 20 5 DGBDLP Cc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000326435119 434280924 /nfs/dbraw/zinc/28/09/24/434280924.db2.gz YCXIZDUTSMCLHI-UHFFFAOYSA-N 2 2 322.368 3.379 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000559984719 435144589 /nfs/dbraw/zinc/14/45/89/435144589.db2.gz OTMCUQJDEWXFRH-QGZVFWFLSA-N 2 2 314.389 3.239 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570058785 435586734 /nfs/dbraw/zinc/58/67/34/435586734.db2.gz BLRPANFTFLUTCV-INIZCTEOSA-N 2 2 322.368 3.062 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091709 534886952 /nfs/dbraw/zinc/88/69/52/534886952.db2.gz ZQEGZPKRYCBUFG-SJORKVTESA-N 2 2 311.385 3.178 20 5 DGBDLP CCC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413037062 528205660 /nfs/dbraw/zinc/20/56/60/528205660.db2.gz QHIDGNGEKVRHHB-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[N@@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000866110259 622047501 /nfs/dbraw/zinc/04/75/01/622047501.db2.gz UEHOJLZMYWCVMZ-UHFFFAOYSA-N 2 2 314.389 3.064 20 5 DGBDLP C[N@H+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000866110259 622047503 /nfs/dbraw/zinc/04/75/03/622047503.db2.gz UEHOJLZMYWCVMZ-UHFFFAOYSA-N 2 2 314.389 3.064 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH+]2CCC([NH3+])(CC)CC2)cc1[N+](=O)[O-] ZINC000925757265 627789975 /nfs/dbraw/zinc/78/99/75/627789975.db2.gz SQZMPKMCKPXSCQ-CYBMUJFWSA-N 2 2 321.421 3.258 20 5 DGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109336 657372094 /nfs/dbraw/zinc/37/20/94/657372094.db2.gz WHDXRBRGDIGVJO-NHYWBVRUSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109336 657372097 /nfs/dbraw/zinc/37/20/97/657372097.db2.gz WHDXRBRGDIGVJO-NHYWBVRUSA-N 2 2 317.414 3.102 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001461810017 1182858977 /nfs/dbraw/zinc/85/89/77/1182858977.db2.gz ZSLWKUONUPKZED-IDKBZEPQSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001461810017 1182858985 /nfs/dbraw/zinc/85/89/85/1182858985.db2.gz ZSLWKUONUPKZED-IDKBZEPQSA-N 2 2 303.406 3.072 20 5 DGBDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474739946 1183971232 /nfs/dbraw/zinc/97/12/32/1183971232.db2.gz FIJHNRGSNLDXJM-WBVHZDCISA-N 2 2 321.465 3.482 20 5 DGBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102881 1191530745 /nfs/dbraw/zinc/53/07/45/1191530745.db2.gz IVTQQFGEDHWNHI-UWVGGRQHSA-N 2 2 323.780 3.334 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001652308619 1195579265 /nfs/dbraw/zinc/57/92/65/1195579265.db2.gz CFTBWAIBBCTTBC-UHFFFAOYSA-N 2 2 305.422 3.129 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001652308619 1195579270 /nfs/dbraw/zinc/57/92/70/1195579270.db2.gz CFTBWAIBBCTTBC-UHFFFAOYSA-N 2 2 305.422 3.129 20 5 DGBDLP C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC[NH+](C)CC1 ZINC001232219928 1097972209 /nfs/dbraw/zinc/97/22/09/1097972209.db2.gz XTJKPCVQOUNLER-UHFFFAOYSA-N 2 2 320.440 3.309 20 5 DGBDLP C[N@@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC[NH+](C)CC1 ZINC001232219928 1097972212 /nfs/dbraw/zinc/97/22/12/1097972212.db2.gz XTJKPCVQOUNLER-UHFFFAOYSA-N 2 2 320.440 3.309 20 5 DGBDLP C[C@H](CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+](C)C ZINC001179266609 1099052632 /nfs/dbraw/zinc/05/26/32/1099052632.db2.gz RNMGDTDUYWQQNB-CYBMUJFWSA-N 2 2 317.389 3.285 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000163814668 432043193 /nfs/dbraw/zinc/04/31/93/432043193.db2.gz AOMDBPGDSWIUPT-AWEZNQCLSA-N 2 2 314.389 3.451 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166280420 432059812 /nfs/dbraw/zinc/05/98/12/432059812.db2.gz XMLWLPXJWVTFPM-IHRRRGAJSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166280420 432059814 /nfs/dbraw/zinc/05/98/14/432059814.db2.gz XMLWLPXJWVTFPM-IHRRRGAJSA-N 2 2 303.406 3.179 20 5 DGBDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000170643293 432075613 /nfs/dbraw/zinc/07/56/13/432075613.db2.gz YTJGXCQEUTVJLF-UHFFFAOYSA-N 2 2 322.368 3.413 20 5 DGBDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000170643293 432075616 /nfs/dbraw/zinc/07/56/16/432075616.db2.gz YTJGXCQEUTVJLF-UHFFFAOYSA-N 2 2 322.368 3.413 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000444615899 239306617 /nfs/dbraw/zinc/30/66/17/239306617.db2.gz MSRPGXLRUVTJRC-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 ZINC000444615899 239306621 /nfs/dbraw/zinc/30/66/21/239306621.db2.gz MSRPGXLRUVTJRC-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065228 212102566 /nfs/dbraw/zinc/10/25/66/212102566.db2.gz JMIQSDMJZUBISM-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065228 212102569 /nfs/dbraw/zinc/10/25/69/212102569.db2.gz JMIQSDMJZUBISM-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065228 212102570 /nfs/dbraw/zinc/10/25/70/212102570.db2.gz JMIQSDMJZUBISM-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065228 212102572 /nfs/dbraw/zinc/10/25/72/212102572.db2.gz JMIQSDMJZUBISM-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683525 193288771 /nfs/dbraw/zinc/28/87/71/193288771.db2.gz FROMDKMTYXEZSO-QGZVFWFLSA-N 2 2 317.433 3.211 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683525 193288773 /nfs/dbraw/zinc/28/87/73/193288773.db2.gz FROMDKMTYXEZSO-QGZVFWFLSA-N 2 2 317.433 3.211 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093741999 193297896 /nfs/dbraw/zinc/29/78/96/193297896.db2.gz VKMRFIZLRIGSPS-BVBGJJFLSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093741999 193297898 /nfs/dbraw/zinc/29/78/98/193297898.db2.gz VKMRFIZLRIGSPS-BVBGJJFLSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093741999 193297899 /nfs/dbraw/zinc/29/78/99/193297899.db2.gz VKMRFIZLRIGSPS-BVBGJJFLSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093741999 193297900 /nfs/dbraw/zinc/29/79/00/193297900.db2.gz VKMRFIZLRIGSPS-BVBGJJFLSA-N 2 2 317.433 3.272 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267382144 206025545 /nfs/dbraw/zinc/02/55/45/206025545.db2.gz AXSGZYRPGYMDAV-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267382144 206025549 /nfs/dbraw/zinc/02/55/49/206025549.db2.gz AXSGZYRPGYMDAV-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267456775 206080669 /nfs/dbraw/zinc/08/06/69/206080669.db2.gz TYWFMBZIYUEVTJ-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267456775 206080673 /nfs/dbraw/zinc/08/06/73/206080673.db2.gz TYWFMBZIYUEVTJ-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032889 285047476 /nfs/dbraw/zinc/04/74/76/285047476.db2.gz RROXYADSZKFNDO-RDJZCZTQSA-N 2 2 303.406 3.046 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032889 285047479 /nfs/dbraw/zinc/04/74/79/285047479.db2.gz RROXYADSZKFNDO-RDJZCZTQSA-N 2 2 303.406 3.046 20 5 DGBDLP Cc1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099230 197162324 /nfs/dbraw/zinc/16/23/24/197162324.db2.gz IZKIWDSBJFOPJS-KRWDZBQOSA-N 2 2 317.433 3.354 20 5 DGBDLP Cc1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099230 197162326 /nfs/dbraw/zinc/16/23/26/197162326.db2.gz IZKIWDSBJFOPJS-KRWDZBQOSA-N 2 2 317.433 3.354 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506972 400172385 /nfs/dbraw/zinc/17/23/85/400172385.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506972 400172391 /nfs/dbraw/zinc/17/23/91/400172391.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506972 400172395 /nfs/dbraw/zinc/17/23/95/400172395.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506972 400172401 /nfs/dbraw/zinc/17/24/01/400172401.db2.gz JIMDOWBTNZOGTE-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071710 400152111 /nfs/dbraw/zinc/15/21/11/400152111.db2.gz NILRWRHVABHAKL-VFQAQYNWSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071710 400152114 /nfs/dbraw/zinc/15/21/14/400152114.db2.gz NILRWRHVABHAKL-VFQAQYNWSA-N 2 2 312.373 3.211 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368836 400252244 /nfs/dbraw/zinc/25/22/44/400252244.db2.gz UTMVGBJSIMHDBD-KGLIPLIRSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368836 400252247 /nfs/dbraw/zinc/25/22/47/400252247.db2.gz UTMVGBJSIMHDBD-KGLIPLIRSA-N 2 2 300.362 3.189 20 5 DGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592402570 400647183 /nfs/dbraw/zinc/64/71/83/400647183.db2.gz JEUBMAHMAGVHJF-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2c[nH+]ccc21 ZINC000599019483 400928628 /nfs/dbraw/zinc/92/86/28/400928628.db2.gz MFSXUBXXACJEAL-HOCLYGCPSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc2c[nH+]ccc21 ZINC000599019483 400928634 /nfs/dbraw/zinc/92/86/34/400928634.db2.gz MFSXUBXXACJEAL-HOCLYGCPSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594517993 401094022 /nfs/dbraw/zinc/09/40/22/401094022.db2.gz GBGNLQUJKLZMDX-GDOYXMMASA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594517993 401094029 /nfs/dbraw/zinc/09/40/29/401094029.db2.gz GBGNLQUJKLZMDX-GDOYXMMASA-N 2 2 315.417 3.215 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182237026 432170262 /nfs/dbraw/zinc/17/02/62/432170262.db2.gz UBIQHOLNJAJIGU-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182237026 432170270 /nfs/dbraw/zinc/17/02/70/432170270.db2.gz UBIQHOLNJAJIGU-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182237026 432170275 /nfs/dbraw/zinc/17/02/75/432170275.db2.gz UBIQHOLNJAJIGU-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182237026 432170281 /nfs/dbraw/zinc/17/02/81/432170281.db2.gz UBIQHOLNJAJIGU-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000449285820 274231428 /nfs/dbraw/zinc/23/14/28/274231428.db2.gz SVMXIHKVRVUYIN-YOEHRIQHSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000449285820 274231429 /nfs/dbraw/zinc/23/14/29/274231429.db2.gz SVMXIHKVRVUYIN-YOEHRIQHSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226057 274500594 /nfs/dbraw/zinc/50/05/94/274500594.db2.gz ZMBRJTSVPQNFMS-WBMJQRKESA-N 2 2 314.389 3.192 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969052 279033288 /nfs/dbraw/zinc/03/32/88/279033288.db2.gz JMMUVHDSTRIYFI-KNXALSJPSA-N 2 2 303.406 3.047 20 5 DGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Cl ZINC000122595206 431838969 /nfs/dbraw/zinc/83/89/69/431838969.db2.gz NMGNYEJRHUWDEF-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125514086 431927975 /nfs/dbraw/zinc/92/79/75/431927975.db2.gz SDQWQKUAJLFONZ-HNNXBMFYSA-N 2 2 305.422 3.102 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125514086 431927977 /nfs/dbraw/zinc/92/79/77/431927977.db2.gz SDQWQKUAJLFONZ-HNNXBMFYSA-N 2 2 305.422 3.102 20 5 DGBDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173344503 432274059 /nfs/dbraw/zinc/27/40/59/432274059.db2.gz BCYJMTBBFXLNMC-HNNXBMFYSA-N 2 2 313.401 3.377 20 5 DGBDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173344503 432274062 /nfs/dbraw/zinc/27/40/62/432274062.db2.gz BCYJMTBBFXLNMC-HNNXBMFYSA-N 2 2 313.401 3.377 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289342885 432947134 /nfs/dbraw/zinc/94/71/34/432947134.db2.gz ICNPGIPTGKZSLR-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289342885 432947136 /nfs/dbraw/zinc/94/71/36/432947136.db2.gz ICNPGIPTGKZSLR-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000366278741 292930970 /nfs/dbraw/zinc/93/09/70/292930970.db2.gz CYWJVPXMEOFQSJ-ZDUSSCGKSA-N 2 2 323.356 3.026 20 5 DGBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666298 433778729 /nfs/dbraw/zinc/77/87/29/433778729.db2.gz WBDGYCDDVRPIHK-CQSZACIVSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666298 433778741 /nfs/dbraw/zinc/77/87/41/433778741.db2.gz WBDGYCDDVRPIHK-CQSZACIVSA-N 2 2 317.414 3.246 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)s2)cc1 ZINC000414843198 433878387 /nfs/dbraw/zinc/87/83/87/433878387.db2.gz JOEHVUAVGRYKMP-CYBMUJFWSA-N 2 2 317.414 3.165 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203726 434281844 /nfs/dbraw/zinc/28/18/44/434281844.db2.gz NBWLGPXSKNRYGX-VXGBXAGGSA-N 2 2 317.414 3.336 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410323 434437244 /nfs/dbraw/zinc/43/72/44/434437244.db2.gz QQAPDMXTIIKPFJ-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410323 434437252 /nfs/dbraw/zinc/43/72/52/434437252.db2.gz QQAPDMXTIIKPFJ-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451528 /nfs/dbraw/zinc/45/15/28/434451528.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451533 /nfs/dbraw/zinc/45/15/33/434451533.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451542 /nfs/dbraw/zinc/45/15/42/434451542.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571589 434451550 /nfs/dbraw/zinc/45/15/50/434451550.db2.gz XVIFLMPACYDIAE-GOSISDBHSA-N 2 2 317.433 3.246 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245954 434650196 /nfs/dbraw/zinc/65/01/96/434650196.db2.gz IWYOEKGWFSDMCY-IPYPFGDCSA-N 2 2 321.421 3.127 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245954 434650199 /nfs/dbraw/zinc/65/01/99/434650199.db2.gz IWYOEKGWFSDMCY-IPYPFGDCSA-N 2 2 321.421 3.127 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568461764 435437678 /nfs/dbraw/zinc/43/76/78/435437678.db2.gz XPAZIUIMWGRSRW-UONOGXRCSA-N 2 2 314.389 3.187 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570058786 435586552 /nfs/dbraw/zinc/58/65/52/435586552.db2.gz BLRPANFTFLUTCV-MRXNPFEDSA-N 2 2 322.368 3.062 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000564508146 315179737 /nfs/dbraw/zinc/17/97/37/315179737.db2.gz BJXQWNIUQAHQLH-IAOVAPTHSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000564508146 315179739 /nfs/dbraw/zinc/17/97/39/315179739.db2.gz BJXQWNIUQAHQLH-IAOVAPTHSA-N 2 2 303.406 3.181 20 5 DGBDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000576387658 316125021 /nfs/dbraw/zinc/12/50/21/316125021.db2.gz YSHHWHOVNNCVHO-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000576387658 316125025 /nfs/dbraw/zinc/12/50/25/316125025.db2.gz YSHHWHOVNNCVHO-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000387719918 323647474 /nfs/dbraw/zinc/64/74/74/323647474.db2.gz MQYSMHQGUBXWEF-MRXNPFEDSA-N 2 2 302.378 3.312 20 5 DGBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415034873 527792387 /nfs/dbraw/zinc/79/23/87/527792387.db2.gz IJBKDHABHRFIFE-INIZCTEOSA-N 2 2 315.373 3.085 20 5 DGBDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891781 618393856 /nfs/dbraw/zinc/39/38/56/618393856.db2.gz KGDYYXIJOOEUJS-XOKHGSTOSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891781 618393862 /nfs/dbraw/zinc/39/38/62/618393862.db2.gz KGDYYXIJOOEUJS-XOKHGSTOSA-N 2 2 303.406 3.262 20 5 DGBDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111973 619715902 /nfs/dbraw/zinc/71/59/02/619715902.db2.gz FGZCJFBTUANZKS-CYBMUJFWSA-N 2 2 321.421 3.127 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000153947255 620625985 /nfs/dbraw/zinc/62/59/85/620625985.db2.gz SMFJUPLSVISYQE-CYBMUJFWSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000153947255 620625987 /nfs/dbraw/zinc/62/59/87/620625987.db2.gz SMFJUPLSVISYQE-CYBMUJFWSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000153947255 620625989 /nfs/dbraw/zinc/62/59/89/620625989.db2.gz SMFJUPLSVISYQE-CYBMUJFWSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000153947255 620625990 /nfs/dbraw/zinc/62/59/90/620625990.db2.gz SMFJUPLSVISYQE-CYBMUJFWSA-N 2 2 311.813 3.022 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000872021155 622756287 /nfs/dbraw/zinc/75/62/87/622756287.db2.gz NQOUHHSPEGVRIR-NEPJUHHUSA-N 2 2 320.418 3.253 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876649994 623670529 /nfs/dbraw/zinc/67/05/29/623670529.db2.gz LAMCWBBUZRGEFE-UHFFFAOYSA-N 2 2 314.389 3.314 20 5 DGBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798958117 626262666 /nfs/dbraw/zinc/26/26/66/626262666.db2.gz NICOQMFSIOLJGC-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798958117 626262668 /nfs/dbraw/zinc/26/26/68/626262668.db2.gz NICOQMFSIOLJGC-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949925 /nfs/dbraw/zinc/94/99/25/626949925.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949927 /nfs/dbraw/zinc/94/99/27/626949927.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949930 /nfs/dbraw/zinc/94/99/30/626949930.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767798 626949932 /nfs/dbraw/zinc/94/99/32/626949932.db2.gz UMRWEURBJLKJFY-MLGOLLRUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864740 627951887 /nfs/dbraw/zinc/95/18/87/627951887.db2.gz CXMYINUPASWIQU-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864740 627951888 /nfs/dbraw/zinc/95/18/88/627951888.db2.gz CXMYINUPASWIQU-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444028 655658956 /nfs/dbraw/zinc/65/89/56/655658956.db2.gz SNMLGVMFVSKPLZ-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444028 655658957 /nfs/dbraw/zinc/65/89/57/655658957.db2.gz SNMLGVMFVSKPLZ-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001660878403 1196537951 /nfs/dbraw/zinc/53/79/51/1196537951.db2.gz SQAZYXYPEMQVHC-OAHLLOKOSA-N 2 2 319.449 3.237 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001660878403 1196537954 /nfs/dbraw/zinc/53/79/54/1196537954.db2.gz SQAZYXYPEMQVHC-OAHLLOKOSA-N 2 2 319.449 3.237 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308547077 1111440782 /nfs/dbraw/zinc/44/07/82/1111440782.db2.gz ILUJZJPJCNJWDJ-RVDMUPIBSA-N 2 2 317.433 3.320 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308547077 1111440783 /nfs/dbraw/zinc/44/07/83/1111440783.db2.gz ILUJZJPJCNJWDJ-RVDMUPIBSA-N 2 2 317.433 3.320 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163825476 432043091 /nfs/dbraw/zinc/04/30/91/432043091.db2.gz WFHJOBMBKVZFJB-CQSZACIVSA-N 2 2 314.389 3.451 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281625 432059990 /nfs/dbraw/zinc/05/99/90/432059990.db2.gz ZHINZWBZWUOYPJ-UBHSHLNASA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281625 432059991 /nfs/dbraw/zinc/05/99/91/432059991.db2.gz ZHINZWBZWUOYPJ-UBHSHLNASA-N 2 2 303.406 3.179 20 5 DGBDLP CC(C)C[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449078236 240006113 /nfs/dbraw/zinc/00/61/13/240006113.db2.gz XMCVFCRDRIZLTL-ZBFHGGJFSA-N 2 2 307.438 3.092 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000449217761 240074277 /nfs/dbraw/zinc/07/42/77/240074277.db2.gz BOVDWTIYRBJTSQ-CQSZACIVSA-N 2 2 324.384 3.006 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000091960207 193131896 /nfs/dbraw/zinc/13/18/96/193131896.db2.gz WXNUCEVRTQDLOK-RHSMWYFYSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000091960207 193131899 /nfs/dbraw/zinc/13/18/99/193131899.db2.gz WXNUCEVRTQDLOK-RHSMWYFYSA-N 2 2 314.389 3.183 20 5 DGBDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775131 432130050 /nfs/dbraw/zinc/13/00/50/432130050.db2.gz NMSSVPCCDBGELC-ULQDDVLXSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775131 432130053 /nfs/dbraw/zinc/13/00/53/432130053.db2.gz NMSSVPCCDBGELC-ULQDDVLXSA-N 2 2 303.406 3.262 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981484 217367155 /nfs/dbraw/zinc/36/71/55/217367155.db2.gz DLULSYYKBMMGAR-HNNXBMFYSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981484 217367159 /nfs/dbraw/zinc/36/71/59/217367159.db2.gz DLULSYYKBMMGAR-HNNXBMFYSA-N 2 2 321.396 3.184 20 5 DGBDLP CCC[NH+]1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109786124 194284586 /nfs/dbraw/zinc/28/45/86/194284586.db2.gz KRLAZPFWLUEEJP-UHFFFAOYSA-N 2 2 305.422 3.209 20 5 DGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000109786124 194284588 /nfs/dbraw/zinc/28/45/88/194284588.db2.gz KRLAZPFWLUEEJP-UHFFFAOYSA-N 2 2 305.422 3.209 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343750647 254184535 /nfs/dbraw/zinc/18/45/35/254184535.db2.gz OCBRTPCVBZKKRG-CQSZACIVSA-N 2 2 303.406 3.216 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343750647 254184536 /nfs/dbraw/zinc/18/45/36/254184536.db2.gz OCBRTPCVBZKKRG-CQSZACIVSA-N 2 2 303.406 3.216 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182318 /nfs/dbraw/zinc/18/23/18/285182318.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182320 /nfs/dbraw/zinc/18/23/20/285182320.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182321 /nfs/dbraw/zinc/18/23/21/285182321.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848676 285182323 /nfs/dbraw/zinc/18/23/23/285182323.db2.gz VKMRFIZLRIGSPS-IOBAAEILSA-N 2 2 317.433 3.272 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000468748320 533383969 /nfs/dbraw/zinc/38/39/69/533383969.db2.gz PTABGOBSXUXEKI-PSIJOBTASA-N 2 2 315.417 3.213 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000468748320 533383975 /nfs/dbraw/zinc/38/39/75/533383975.db2.gz PTABGOBSXUXEKI-PSIJOBTASA-N 2 2 315.417 3.213 20 5 DGBDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128720 /nfs/dbraw/zinc/12/87/20/400128720.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 2 2 309.385 3.040 20 5 DGBDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128721 /nfs/dbraw/zinc/12/87/21/400128721.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 2 2 309.385 3.040 20 5 DGBDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128725 /nfs/dbraw/zinc/12/87/25/400128725.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 2 2 309.385 3.040 20 5 DGBDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327482 400128729 /nfs/dbraw/zinc/12/87/29/400128729.db2.gz OURVLIKCXFQJKM-OAHLLOKOSA-N 2 2 309.385 3.040 20 5 DGBDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073956 400951829 /nfs/dbraw/zinc/95/18/29/400951829.db2.gz ODQQIYYFMPAQIX-DYVFJYSZSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599015125 400927121 /nfs/dbraw/zinc/92/71/21/400927121.db2.gz FTHIJJSOWHVNLD-ZDUSSCGKSA-N 2 2 300.362 3.039 20 5 DGBDLP CC[N@H+]1CCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599015125 400927128 /nfs/dbraw/zinc/92/71/28/400927128.db2.gz FTHIJJSOWHVNLD-ZDUSSCGKSA-N 2 2 300.362 3.039 20 5 DGBDLP CCC[N@@H+]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025926 400930998 /nfs/dbraw/zinc/93/09/98/400930998.db2.gz FHFHQMNLUGKKHD-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@H+]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025926 400931002 /nfs/dbraw/zinc/93/10/02/400931002.db2.gz FHFHQMNLUGKKHD-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[NH+](C)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174538 230145384 /nfs/dbraw/zinc/14/53/84/230145384.db2.gz QGDYAYVWFICQFD-KBPBESRZSA-N 2 2 314.389 3.428 20 5 DGBDLP C[NH2+]C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347017335 264140825 /nfs/dbraw/zinc/14/08/25/264140825.db2.gz DKGSDIMLVJRIDD-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000182869655 432236176 /nfs/dbraw/zinc/23/61/76/432236176.db2.gz HCHRDNUOZGXEKA-AWEZNQCLSA-N 2 2 305.422 3.427 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182970475 432246451 /nfs/dbraw/zinc/24/64/51/432246451.db2.gz AFKYWZZEMMEIAI-CQSZACIVSA-N 2 2 302.378 3.183 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182970475 432246454 /nfs/dbraw/zinc/24/64/54/432246454.db2.gz AFKYWZZEMMEIAI-CQSZACIVSA-N 2 2 302.378 3.183 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534348 274278082 /nfs/dbraw/zinc/27/80/82/274278082.db2.gz NGAKHMFSJFXASB-LSDHHAIUSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534348 274278083 /nfs/dbraw/zinc/27/80/83/274278083.db2.gz NGAKHMFSJFXASB-LSDHHAIUSA-N 2 2 303.406 3.074 20 5 DGBDLP CC[NH+](CC)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492583878 276096162 /nfs/dbraw/zinc/09/61/62/276096162.db2.gz RQQBOJOVILYEDK-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP CC[NH+](CC)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492583878 276096163 /nfs/dbraw/zinc/09/61/63/276096163.db2.gz RQQBOJOVILYEDK-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292064 /nfs/dbraw/zinc/29/20/64/432292064.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292066 /nfs/dbraw/zinc/29/20/66/432292066.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292068 /nfs/dbraw/zinc/29/20/68/432292068.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439128 432292070 /nfs/dbraw/zinc/29/20/70/432292070.db2.gz UBIQHOLNJAJIGU-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829340 432323023 /nfs/dbraw/zinc/32/30/23/432323023.db2.gz GZXPFINDAJCZQM-JEBQAFNWSA-N 2 2 317.433 3.291 20 5 DGBDLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829340 432323027 /nfs/dbraw/zinc/32/30/27/432323027.db2.gz GZXPFINDAJCZQM-JEBQAFNWSA-N 2 2 317.433 3.291 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156349616 432595129 /nfs/dbraw/zinc/59/51/29/432595129.db2.gz UVHPHWKHZIDYCH-GUYCJALGSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156349616 432595135 /nfs/dbraw/zinc/59/51/35/432595135.db2.gz UVHPHWKHZIDYCH-GUYCJALGSA-N 2 2 313.357 3.204 20 5 DGBDLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290453233 433057038 /nfs/dbraw/zinc/05/70/38/433057038.db2.gz DJQJUYWXYHEOFF-GFCCVEGCSA-N 2 2 311.345 3.149 20 5 DGBDLP C[NH+](C)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000420633381 433236523 /nfs/dbraw/zinc/23/65/23/433236523.db2.gz YIJMUHZLNPSNMY-UHFFFAOYSA-N 2 2 314.389 3.428 20 5 DGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582845 433236913 /nfs/dbraw/zinc/23/69/13/433236913.db2.gz AAQCRUMFCXMTEX-NXOUGTEYSA-N 2 2 315.417 3.045 20 5 DGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582845 433236922 /nfs/dbraw/zinc/23/69/22/433236922.db2.gz AAQCRUMFCXMTEX-NXOUGTEYSA-N 2 2 315.417 3.045 20 5 DGBDLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439588 293072153 /nfs/dbraw/zinc/07/21/53/293072153.db2.gz VTAOWFGPOZPPTQ-INIZCTEOSA-N 2 2 314.389 3.369 20 5 DGBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000285545669 433988713 /nfs/dbraw/zinc/98/87/13/433988713.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000285545669 433988726 /nfs/dbraw/zinc/98/87/26/433988726.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285545669 433988738 /nfs/dbraw/zinc/98/87/38/433988738.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000285545669 433988750 /nfs/dbraw/zinc/98/87/50/433988750.db2.gz GGVRTPGWRGDZFI-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422708988 433938576 /nfs/dbraw/zinc/93/85/76/433938576.db2.gz CPKCFGOXMQCCOJ-ZFWWWQNUSA-N 2 2 321.421 3.004 20 5 DGBDLP CCc1ccc([C@H]([NH2+]C[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308928 434356623 /nfs/dbraw/zinc/35/66/23/434356623.db2.gz PHGYUVMUYQRHGK-SJKOYZFVSA-N 2 2 317.389 3.024 20 5 DGBDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349404608 434706061 /nfs/dbraw/zinc/70/60/61/434706061.db2.gz FPQVZSZPNMNCBY-UHFFFAOYSA-N 2 2 307.438 3.492 20 5 DGBDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349404608 434706069 /nfs/dbraw/zinc/70/60/69/434706069.db2.gz FPQVZSZPNMNCBY-UHFFFAOYSA-N 2 2 307.438 3.492 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000531721903 435112670 /nfs/dbraw/zinc/11/26/70/435112670.db2.gz XMLWLPXJWVTFPM-HZSPNIEDSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000531721903 435112672 /nfs/dbraw/zinc/11/26/72/435112672.db2.gz XMLWLPXJWVTFPM-HZSPNIEDSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000564508164 315179889 /nfs/dbraw/zinc/17/98/89/315179889.db2.gz BJXQWNIUQAHQLH-XKQJLSEDSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000564508164 315179891 /nfs/dbraw/zinc/17/98/91/315179891.db2.gz BJXQWNIUQAHQLH-XKQJLSEDSA-N 2 2 303.406 3.181 20 5 DGBDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000576623944 316150359 /nfs/dbraw/zinc/15/03/59/316150359.db2.gz ZPDWVVGKKUUZSM-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000576623944 316150363 /nfs/dbraw/zinc/15/03/63/316150363.db2.gz ZPDWVVGKKUUZSM-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000746666501 575467833 /nfs/dbraw/zinc/46/78/33/575467833.db2.gz OOYFMOLCQALCPG-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000746666501 575467834 /nfs/dbraw/zinc/46/78/34/575467834.db2.gz OOYFMOLCQALCPG-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000903111974 619715845 /nfs/dbraw/zinc/71/58/45/619715845.db2.gz FGZCJFBTUANZKS-ZDUSSCGKSA-N 2 2 321.421 3.127 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620374 623661951 /nfs/dbraw/zinc/66/19/51/623661951.db2.gz MWKNGTZSMYBMQU-CQSZACIVSA-N 2 2 314.389 3.314 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620374 623661953 /nfs/dbraw/zinc/66/19/53/623661953.db2.gz MWKNGTZSMYBMQU-CQSZACIVSA-N 2 2 314.389 3.314 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000786818463 624956045 /nfs/dbraw/zinc/95/60/45/624956045.db2.gz YSFUMAXFDSFREA-ATGUSINASA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000786818463 624956046 /nfs/dbraw/zinc/95/60/46/624956046.db2.gz YSFUMAXFDSFREA-ATGUSINASA-N 2 2 303.406 3.072 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949639 /nfs/dbraw/zinc/94/96/39/626949639.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949641 /nfs/dbraw/zinc/94/96/41/626949641.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949644 /nfs/dbraw/zinc/94/96/44/626949644.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767510 626949648 /nfs/dbraw/zinc/94/96/48/626949648.db2.gz NDUYGPDBLGRYNB-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864741 627951786 /nfs/dbraw/zinc/95/17/86/627951786.db2.gz CXMYINUPASWIQU-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000817864741 627951789 /nfs/dbraw/zinc/95/17/89/627951789.db2.gz CXMYINUPASWIQU-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042616394 658791005 /nfs/dbraw/zinc/79/10/05/658791005.db2.gz JAEYKJFCDJWCMJ-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000042616394 658791010 /nfs/dbraw/zinc/79/10/10/658791010.db2.gz JAEYKJFCDJWCMJ-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972724 1178837405 /nfs/dbraw/zinc/83/74/05/1178837405.db2.gz JMEILAQTWCQWOF-ZIAGYGMSSA-N 2 2 311.813 3.211 20 5 DGBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936317 1182631309 /nfs/dbraw/zinc/63/13/09/1182631309.db2.gz NTCWWPLCORAMMX-GXTWGEPZSA-N 2 2 323.462 3.399 20 5 DGBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936317 1182631312 /nfs/dbraw/zinc/63/13/12/1182631312.db2.gz NTCWWPLCORAMMX-GXTWGEPZSA-N 2 2 323.462 3.399 20 5 DGBDLP CCCC[N@H+](C)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898644 1097267759 /nfs/dbraw/zinc/26/77/59/1097267759.db2.gz IGDDAAKZNJUVTG-KRWDZBQOSA-N 2 2 319.449 3.164 20 5 DGBDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898644 1097267763 /nfs/dbraw/zinc/26/77/63/1097267763.db2.gz IGDDAAKZNJUVTG-KRWDZBQOSA-N 2 2 319.449 3.164 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001173222609 1097373244 /nfs/dbraw/zinc/37/32/44/1097373244.db2.gz XMLMEAIQRDCRCO-ZBFHGGJFSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001173222609 1097373247 /nfs/dbraw/zinc/37/32/47/1097373247.db2.gz XMLMEAIQRDCRCO-ZBFHGGJFSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001254546566 1106100803 /nfs/dbraw/zinc/10/08/03/1106100803.db2.gz GYMHLLBVKVSSAH-ZBFHGGJFSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001254546566 1106100808 /nfs/dbraw/zinc/10/08/08/1106100808.db2.gz GYMHLLBVKVSSAH-ZBFHGGJFSA-N 2 2 319.449 3.236 20 5 DGBDLP CC(C)[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254571644 1106106013 /nfs/dbraw/zinc/10/60/13/1106106013.db2.gz ZPIQHVFNRUQZKP-OAHLLOKOSA-N 2 2 319.449 3.330 20 5 DGBDLP CC(C)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254571644 1106106014 /nfs/dbraw/zinc/10/60/14/1106106014.db2.gz ZPIQHVFNRUQZKP-OAHLLOKOSA-N 2 2 319.449 3.330 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152626029 186091408 /nfs/dbraw/zinc/09/14/08/186091408.db2.gz RVBBLUFBJSYDDP-CYBMUJFWSA-N 2 2 321.421 3.128 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000470200601 244158704 /nfs/dbraw/zinc/15/87/04/244158704.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000470200601 244158707 /nfs/dbraw/zinc/15/87/07/244158707.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000470200601 244158710 /nfs/dbraw/zinc/15/87/10/244158710.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000470200601 244158713 /nfs/dbraw/zinc/15/87/13/244158713.db2.gz CADBISOUQFWTIP-WJANQJKRSA-N 2 2 315.417 3.024 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298722 /nfs/dbraw/zinc/29/87/22/193298722.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298723 /nfs/dbraw/zinc/29/87/23/193298723.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298725 /nfs/dbraw/zinc/29/87/25/193298725.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742099 193298727 /nfs/dbraw/zinc/29/87/27/193298727.db2.gz BNRBFSXPHXXKPU-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775127 432131302 /nfs/dbraw/zinc/13/13/02/432131302.db2.gz NMSSVPCCDBGELC-GVDBMIGSSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775127 432131306 /nfs/dbraw/zinc/13/13/06/432131306.db2.gz NMSSVPCCDBGELC-GVDBMIGSSA-N 2 2 303.406 3.262 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159274 /nfs/dbraw/zinc/15/92/74/207159274.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159278 /nfs/dbraw/zinc/15/92/78/207159278.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159281 /nfs/dbraw/zinc/15/92/81/207159281.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003515 207159286 /nfs/dbraw/zinc/15/92/86/207159286.db2.gz PXLMMPJVKYKLIJ-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000344858563 254310850 /nfs/dbraw/zinc/31/08/50/254310850.db2.gz OQXMVMBZOJKLAJ-SSUFTNFISA-N 2 2 303.406 3.070 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000344858563 254310851 /nfs/dbraw/zinc/31/08/51/254310851.db2.gz OQXMVMBZOJKLAJ-SSUFTNFISA-N 2 2 303.406 3.070 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092072094 400151452 /nfs/dbraw/zinc/15/14/52/400151452.db2.gz LQJJZDCFGNPKHU-CQSZACIVSA-N 2 2 300.362 3.006 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092072094 400151457 /nfs/dbraw/zinc/15/14/57/400151457.db2.gz LQJJZDCFGNPKHU-CQSZACIVSA-N 2 2 300.362 3.006 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322895 400295030 /nfs/dbraw/zinc/29/50/30/400295030.db2.gz RYCDUKSITQBPJD-XHDPSFHLSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322895 400295032 /nfs/dbraw/zinc/29/50/32/400295032.db2.gz RYCDUKSITQBPJD-XHDPSFHLSA-N 2 2 311.813 3.198 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611516002 400413648 /nfs/dbraw/zinc/41/36/48/400413648.db2.gz YZTQXRBJHYUHIM-HOCLYGCPSA-N 2 2 314.389 3.498 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611516002 400413654 /nfs/dbraw/zinc/41/36/54/400413654.db2.gz YZTQXRBJHYUHIM-HOCLYGCPSA-N 2 2 314.389 3.498 20 5 DGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592404352 400647130 /nfs/dbraw/zinc/64/71/30/400647130.db2.gz RDDWTNIWCCMONC-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073495 400950960 /nfs/dbraw/zinc/95/09/60/400950960.db2.gz HBZFUGZAWQJIDI-GUYCJALGSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073495 400950965 /nfs/dbraw/zinc/95/09/65/400950965.db2.gz HBZFUGZAWQJIDI-GUYCJALGSA-N 2 2 303.406 3.262 20 5 DGBDLP CC(C)[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019763 400928125 /nfs/dbraw/zinc/92/81/25/400928125.db2.gz FZGJYYQZMQDCQC-UHFFFAOYSA-N 2 2 314.389 3.428 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2c[nH+]ccc21 ZINC000599023283 400930041 /nfs/dbraw/zinc/93/00/41/400930041.db2.gz DNQBOUDNYDFZDT-KGLIPLIRSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc2c[nH+]ccc21 ZINC000599023283 400930048 /nfs/dbraw/zinc/93/00/48/400930048.db2.gz DNQBOUDNYDFZDT-KGLIPLIRSA-N 2 2 312.373 3.182 20 5 DGBDLP C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599023801 400930669 /nfs/dbraw/zinc/93/06/69/400930669.db2.gz LREVBSUNAZWCCR-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC(C)[NH2+][C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599036863 400934584 /nfs/dbraw/zinc/93/45/84/400934584.db2.gz XBPLLOILXRYBKV-AWEZNQCLSA-N 2 2 314.389 3.110 20 5 DGBDLP CC1(C)CCC[N@@H+]1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599088303 400956657 /nfs/dbraw/zinc/95/66/57/400956657.db2.gz QAXAKBAUMNOGCJ-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP CC1(C)CCC[N@H+]1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599088303 400956664 /nfs/dbraw/zinc/95/66/64/400956664.db2.gz QAXAKBAUMNOGCJ-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521249 401099108 /nfs/dbraw/zinc/09/91/08/401099108.db2.gz STYGJTLTHPLQQL-HOTGVXAUSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521249 401099113 /nfs/dbraw/zinc/09/91/13/401099113.db2.gz STYGJTLTHPLQQL-HOTGVXAUSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)n2c1 ZINC000359789556 286380760 /nfs/dbraw/zinc/38/07/60/286380760.db2.gz ACAYDHZLXPFZNE-UHFFFAOYSA-N 2 2 310.357 3.149 20 5 DGBDLP Cc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000130600412 196094229 /nfs/dbraw/zinc/09/42/29/196094229.db2.gz WWDABHMAISZSQO-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP CC(C)c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000131440079 196169218 /nfs/dbraw/zinc/16/92/18/196169218.db2.gz FPXWDWFCLDFELP-AWEZNQCLSA-N 2 2 316.405 3.341 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000278222881 275038518 /nfs/dbraw/zinc/03/85/18/275038518.db2.gz JFVSQYDKXNJGFC-KZNAEPCWSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000278222881 275038520 /nfs/dbraw/zinc/03/85/20/275038520.db2.gz JFVSQYDKXNJGFC-KZNAEPCWSA-N 2 2 315.417 3.189 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969048 278049874 /nfs/dbraw/zinc/04/98/74/278049874.db2.gz JMMUVHDSTRIYFI-IUIKQTSFSA-N 2 2 303.406 3.047 20 5 DGBDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000076901125 431565254 /nfs/dbraw/zinc/56/52/54/431565254.db2.gz SHHQOHXPBXBRRO-UHFFFAOYSA-N 2 2 324.384 3.204 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663866 432386223 /nfs/dbraw/zinc/38/62/23/432386223.db2.gz JKVGQHSLTMAJRD-JKIFEVAISA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663866 432386224 /nfs/dbraw/zinc/38/62/24/432386224.db2.gz JKVGQHSLTMAJRD-JKIFEVAISA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041008 432470531 /nfs/dbraw/zinc/47/05/31/432470531.db2.gz PBYBVLMHOABLDL-SMDDNHRTSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041008 432470537 /nfs/dbraw/zinc/47/05/37/432470537.db2.gz PBYBVLMHOABLDL-SMDDNHRTSA-N 2 2 317.414 3.102 20 5 DGBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414834112 433869243 /nfs/dbraw/zinc/86/92/43/433869243.db2.gz GPHGGKZFCIIZGO-CQSZACIVSA-N 2 2 317.389 3.318 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414954590 433935087 /nfs/dbraw/zinc/93/50/87/433935087.db2.gz NHICLFCZTJYEKX-LRDDRELGSA-N 2 2 315.373 3.085 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000414862019 433892402 /nfs/dbraw/zinc/89/24/02/433892402.db2.gz GSNOQTLUBSUBCJ-GFCCVEGCSA-N 2 2 317.414 3.165 20 5 DGBDLP [NH3+][C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238830 434304506 /nfs/dbraw/zinc/30/45/06/434304506.db2.gz JOXQONQIXUMZIW-QZTJIDSGSA-N 2 2 311.385 3.262 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000349249883 434650843 /nfs/dbraw/zinc/65/08/43/434650843.db2.gz VNRMIPRKCXDTQA-QWHCGFSZSA-N 2 2 311.451 3.005 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354332245 434724308 /nfs/dbraw/zinc/72/43/08/434724308.db2.gz HOZXOPVFTSFEDY-UHFFFAOYSA-N 2 2 315.373 3.029 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862055 435304125 /nfs/dbraw/zinc/30/41/25/435304125.db2.gz BDATUOHPIZLJEE-UHFFFAOYSA-N 2 2 312.373 3.066 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000562721681 315047893 /nfs/dbraw/zinc/04/78/93/315047893.db2.gz RGKOSTFBOLCVDU-LBPRGKRZSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000562721681 315047896 /nfs/dbraw/zinc/04/78/96/315047896.db2.gz RGKOSTFBOLCVDU-LBPRGKRZSA-N 2 2 312.373 3.039 20 5 DGBDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023784 622757278 /nfs/dbraw/zinc/75/72/78/622757278.db2.gz KSUULNXLBMWCJM-GFCCVEGCSA-N 2 2 306.341 3.061 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CC[NH3+] ZINC000844902882 630973009 /nfs/dbraw/zinc/97/30/09/630973009.db2.gz WEIZXEJAINZOLD-NHYWBVRUSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CC[NH3+] ZINC000844902882 630973014 /nfs/dbraw/zinc/97/30/14/630973014.db2.gz WEIZXEJAINZOLD-NHYWBVRUSA-N 2 2 311.813 3.198 20 5 DGBDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001474739945 1183971331 /nfs/dbraw/zinc/97/13/31/1183971331.db2.gz FIJHNRGSNLDXJM-RDJZCZTQSA-N 2 2 321.465 3.482 20 5 DGBDLP CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001576389015 1191580792 /nfs/dbraw/zinc/58/07/92/1191580792.db2.gz DMABCMZVFPAAHT-BPLDGKMQSA-N 2 2 323.824 3.114 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001660878402 1196538399 /nfs/dbraw/zinc/53/83/99/1196538399.db2.gz SQAZYXYPEMQVHC-HNNXBMFYSA-N 2 2 319.449 3.237 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001660878402 1196538401 /nfs/dbraw/zinc/53/84/01/1196538401.db2.gz SQAZYXYPEMQVHC-HNNXBMFYSA-N 2 2 319.449 3.237 20 5 DGBDLP C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377587 1091206197 /nfs/dbraw/zinc/20/61/97/1091206197.db2.gz ZHAHDFUKHPZNDA-SFHVURJKSA-N 2 2 320.436 3.413 20 5 DGBDLP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1C[NH2+]CCO1 ZINC001205377587 1091206206 /nfs/dbraw/zinc/20/62/06/1091206206.db2.gz ZHAHDFUKHPZNDA-SFHVURJKSA-N 2 2 320.436 3.413 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001173235690 1097378375 /nfs/dbraw/zinc/37/83/75/1097378375.db2.gz YOESTLQFJQOJCC-DZGCQCFKSA-N 2 2 314.389 3.062 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070293 1097937187 /nfs/dbraw/zinc/93/71/87/1097937187.db2.gz PYOIDWKHIRSQJZ-WBAXXEDZSA-N 2 2 317.433 3.238 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001254559107 1106103405 /nfs/dbraw/zinc/10/34/05/1106103405.db2.gz IITQXZWRWHKBHV-CQSZACIVSA-N 2 2 314.389 3.059 20 5 DGBDLP Cc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000163814577 432043732 /nfs/dbraw/zinc/04/37/32/432043732.db2.gz AOMDBPGDSWIUPT-CQSZACIVSA-N 2 2 314.389 3.451 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000449217760 240073591 /nfs/dbraw/zinc/07/35/91/240073591.db2.gz BOVDWTIYRBJTSQ-AWEZNQCLSA-N 2 2 324.384 3.006 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158466 /nfs/dbraw/zinc/15/84/66/207158466.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158469 /nfs/dbraw/zinc/15/84/69/207158469.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158476 /nfs/dbraw/zinc/15/84/76/207158476.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003516 207158480 /nfs/dbraw/zinc/15/84/80/207158480.db2.gz PXLMMPJVKYKLIJ-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000269053628 207203277 /nfs/dbraw/zinc/20/32/77/207203277.db2.gz UVEKZJMFIJUQLD-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000269053628 207203280 /nfs/dbraw/zinc/20/32/80/207203280.db2.gz UVEKZJMFIJUQLD-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032890 285047328 /nfs/dbraw/zinc/04/73/28/285047328.db2.gz RROXYADSZKFNDO-WBVHZDCISA-N 2 2 303.406 3.046 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249032890 285047334 /nfs/dbraw/zinc/04/73/34/285047334.db2.gz RROXYADSZKFNDO-WBVHZDCISA-N 2 2 303.406 3.046 20 5 DGBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097567 400104833 /nfs/dbraw/zinc/10/48/33/400104833.db2.gz XQISLHZLSKMYAQ-PBHICJAKSA-N 2 2 303.406 3.046 20 5 DGBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097567 400104835 /nfs/dbraw/zinc/10/48/35/400104835.db2.gz XQISLHZLSKMYAQ-PBHICJAKSA-N 2 2 303.406 3.046 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506969 400172075 /nfs/dbraw/zinc/17/20/75/400172075.db2.gz JIMDOWBTNZOGTE-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506969 400172080 /nfs/dbraw/zinc/17/20/80/400172080.db2.gz JIMDOWBTNZOGTE-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506969 400172084 /nfs/dbraw/zinc/17/20/84/400172084.db2.gz JIMDOWBTNZOGTE-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506969 400172088 /nfs/dbraw/zinc/17/20/88/400172088.db2.gz JIMDOWBTNZOGTE-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609705004 400187503 /nfs/dbraw/zinc/18/75/03/400187503.db2.gz DPEOKMIVQLCCCD-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609705004 400187507 /nfs/dbraw/zinc/18/75/07/400187507.db2.gz DPEOKMIVQLCCCD-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326621 400295044 /nfs/dbraw/zinc/29/50/44/400295044.db2.gz VTVXEESUILBUNL-RISCZKNCSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326621 400295048 /nfs/dbraw/zinc/29/50/48/400295048.db2.gz VTVXEESUILBUNL-RISCZKNCSA-N 2 2 311.813 3.198 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268078 400369888 /nfs/dbraw/zinc/36/98/88/400369888.db2.gz FTDLCLLBQHVGJB-QQNRWZHASA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268078 400369893 /nfs/dbraw/zinc/36/98/93/400369893.db2.gz FTDLCLLBQHVGJB-QQNRWZHASA-N 2 2 312.373 3.142 20 5 DGBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577824 400541757 /nfs/dbraw/zinc/54/17/57/400541757.db2.gz IDNABEFCCWTVRS-BLLLJJGKSA-N 2 2 303.406 3.049 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(Cl)c1 ZINC000049963821 400673958 /nfs/dbraw/zinc/67/39/58/400673958.db2.gz NVGBKTWPSHYDDL-UHFFFAOYSA-N 2 2 308.769 3.015 20 5 DGBDLP CC(C)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000131439869 196169400 /nfs/dbraw/zinc/16/94/00/196169400.db2.gz FPXWDWFCLDFELP-CQSZACIVSA-N 2 2 316.405 3.341 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347070197 264151251 /nfs/dbraw/zinc/15/12/51/264151251.db2.gz AAVZKIOMDDGLAR-UKRRQHHQSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347070197 264151253 /nfs/dbraw/zinc/15/12/53/264151253.db2.gz AAVZKIOMDDGLAR-UKRRQHHQSA-N 2 2 313.357 3.204 20 5 DGBDLP COc1ccc(C[NH2+]CCCc2c[nH+]ccc2C)cc1[N+](=O)[O-] ZINC000347902950 264303295 /nfs/dbraw/zinc/30/32/95/264303295.db2.gz LXDSNGZZKWJQDK-UHFFFAOYSA-N 2 2 315.373 3.029 20 5 DGBDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000343914828 278335208 /nfs/dbraw/zinc/33/52/08/278335208.db2.gz MVQXQQUZFMCUPY-CYBMUJFWSA-N 2 2 303.406 3.262 20 5 DGBDLP CCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963689 431945750 /nfs/dbraw/zinc/94/57/50/431945750.db2.gz YFRGONQOHALLQS-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000173311450 432271611 /nfs/dbraw/zinc/27/16/11/432271611.db2.gz VDBIGXFOPBZVIH-ZDUSSCGKSA-N 2 2 310.357 3.136 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432263990 /nfs/dbraw/zinc/26/39/90/432263990.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432264003 /nfs/dbraw/zinc/26/40/03/432264003.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432264007 /nfs/dbraw/zinc/26/40/07/432264007.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031110 432264011 /nfs/dbraw/zinc/26/40/11/432264011.db2.gz QJVFIFZJCGUZOK-DZGCQCFKSA-N 2 2 323.824 3.164 20 5 DGBDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193018483 432440915 /nfs/dbraw/zinc/44/09/15/432440915.db2.gz GZXPFINDAJCZQM-XWIAVFTESA-N 2 2 317.433 3.291 20 5 DGBDLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193018483 432440920 /nfs/dbraw/zinc/44/09/20/432440920.db2.gz GZXPFINDAJCZQM-XWIAVFTESA-N 2 2 317.433 3.291 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723112 /nfs/dbraw/zinc/72/31/12/432723112.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723114 /nfs/dbraw/zinc/72/31/14/432723114.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723117 /nfs/dbraw/zinc/72/31/17/432723117.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065231 432723119 /nfs/dbraw/zinc/72/31/19/432723119.db2.gz JMIQSDMJZUBISM-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607018 432771144 /nfs/dbraw/zinc/77/11/44/432771144.db2.gz UNRPCGILSXIUFP-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607018 432771149 /nfs/dbraw/zinc/77/11/49/432771149.db2.gz UNRPCGILSXIUFP-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791918 /nfs/dbraw/zinc/79/19/18/432791918.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791921 /nfs/dbraw/zinc/79/19/21/432791921.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791925 /nfs/dbraw/zinc/79/19/25/432791925.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849574 432791927 /nfs/dbraw/zinc/79/19/27/432791927.db2.gz BZSKUDPOHLGWCO-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP Cc1c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373115434 433097019 /nfs/dbraw/zinc/09/70/19/433097019.db2.gz KOKZOIZUQNXBMY-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373115434 433097027 /nfs/dbraw/zinc/09/70/27/433097027.db2.gz KOKZOIZUQNXBMY-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP CCC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414865483 433892373 /nfs/dbraw/zinc/89/23/73/433892373.db2.gz FPRADOCKLWTJTP-UHFFFAOYSA-N 2 2 319.430 3.413 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342086 434361584 /nfs/dbraw/zinc/36/15/84/434361584.db2.gz OUJMEYGYRPPNPI-NVXWUHKLSA-N 2 2 303.406 3.046 20 5 DGBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342086 434361594 /nfs/dbraw/zinc/36/15/94/434361594.db2.gz OUJMEYGYRPPNPI-NVXWUHKLSA-N 2 2 303.406 3.046 20 5 DGBDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372675563 434846656 /nfs/dbraw/zinc/84/66/56/434846656.db2.gz QBDCGOOAPKLKDM-ZDUSSCGKSA-N 2 2 314.389 3.021 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579669289 435173002 /nfs/dbraw/zinc/17/30/02/435173002.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579669289 435173005 /nfs/dbraw/zinc/17/30/05/435173005.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579669289 435173009 /nfs/dbraw/zinc/17/30/09/435173009.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579669289 435173011 /nfs/dbraw/zinc/17/30/11/435173011.db2.gz UFLSGZSYCRHHCB-OFQRWUPVSA-N 2 2 303.406 3.133 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000536370343 435378152 /nfs/dbraw/zinc/37/81/52/435378152.db2.gz LPVZBFZEDSPJDQ-UHFFFAOYSA-N 2 2 312.373 3.066 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000564508157 315180053 /nfs/dbraw/zinc/18/00/53/315180053.db2.gz BJXQWNIUQAHQLH-JQFCIGGWSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000564508157 315180056 /nfs/dbraw/zinc/18/00/56/315180056.db2.gz BJXQWNIUQAHQLH-JQFCIGGWSA-N 2 2 303.406 3.181 20 5 DGBDLP CC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413034807 528990835 /nfs/dbraw/zinc/99/08/35/528990835.db2.gz OHLYQQKGYQNXOJ-UHFFFAOYSA-N 2 2 300.362 3.039 20 5 DGBDLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864775 529020307 /nfs/dbraw/zinc/02/03/07/529020307.db2.gz FTHOJMZCTGHCRK-GDBMZVCRSA-N 2 2 314.389 3.237 20 5 DGBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648824 535487686 /nfs/dbraw/zinc/48/76/86/535487686.db2.gz MZRCYEXJNGIXNV-HAZIXKIPSA-N 2 2 317.433 3.462 20 5 DGBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648824 535487689 /nfs/dbraw/zinc/48/76/89/535487689.db2.gz MZRCYEXJNGIXNV-HAZIXKIPSA-N 2 2 317.433 3.462 20 5 DGBDLP Cc1c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873021576 623019547 /nfs/dbraw/zinc/01/95/47/623019547.db2.gz LQLAZSPZFZFEJL-INIZCTEOSA-N 2 2 316.405 3.304 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948982 /nfs/dbraw/zinc/94/89/82/626948982.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948987 /nfs/dbraw/zinc/94/89/87/626948987.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948989 /nfs/dbraw/zinc/94/89/89/626948989.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766463 626948994 /nfs/dbraw/zinc/94/89/94/626948994.db2.gz XYFIINSNHRDQRN-RISCZKNCSA-N 2 2 311.813 3.020 20 5 DGBDLP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476765 630540198 /nfs/dbraw/zinc/54/01/98/630540198.db2.gz VCBSWTNVDFPATM-CQSZACIVSA-N 2 2 311.813 3.245 20 5 DGBDLP C[C@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+](C)C ZINC001461661602 1182839446 /nfs/dbraw/zinc/83/94/46/1182839446.db2.gz GOFHCGYYCLWUII-CYBMUJFWSA-N 2 2 317.389 3.285 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357801 1189316997 /nfs/dbraw/zinc/31/69/97/1189316997.db2.gz XNJDWBJNKUQIRE-ZDUSSCGKSA-N 2 2 314.389 3.215 20 5 DGBDLP C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](C)[NH3+] ZINC001576102883 1191530116 /nfs/dbraw/zinc/53/01/16/1191530116.db2.gz IVTQQFGEDHWNHI-VHSXEESVSA-N 2 2 323.780 3.334 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615877 1104629966 /nfs/dbraw/zinc/62/99/66/1104629966.db2.gz UCXFCPHMNFCDTJ-MAUKXSAKSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615877 1104629970 /nfs/dbraw/zinc/62/99/70/1104629970.db2.gz UCXFCPHMNFCDTJ-MAUKXSAKSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001254560112 1106103952 /nfs/dbraw/zinc/10/39/52/1106103952.db2.gz PEVSUSLSECXMDO-ZFWWWQNUSA-N 2 2 314.389 3.062 20 5 DGBDLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC001308987945 1111506018 /nfs/dbraw/zinc/50/60/18/1111506018.db2.gz UYEDLSOWQNDTHD-LBPRGKRZSA-N 2 2 313.829 3.458 20 5 DGBDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000163847632 432043964 /nfs/dbraw/zinc/04/39/64/432043964.db2.gz GSDNLODODBYSGK-ZDUSSCGKSA-N 2 2 300.362 3.143 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131109 205124922 /nfs/dbraw/zinc/12/49/22/205124922.db2.gz DBKNDJGVXUIIET-IAQYHMDHSA-N 2 2 311.813 3.068 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131109 205124926 /nfs/dbraw/zinc/12/49/26/205124926.db2.gz DBKNDJGVXUIIET-IAQYHMDHSA-N 2 2 311.813 3.068 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981488 217367664 /nfs/dbraw/zinc/36/76/64/217367664.db2.gz DLULSYYKBMMGAR-OAHLLOKOSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000282981488 217367665 /nfs/dbraw/zinc/36/76/65/217367665.db2.gz DLULSYYKBMMGAR-OAHLLOKOSA-N 2 2 321.396 3.184 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779165 432131946 /nfs/dbraw/zinc/13/19/46/432131946.db2.gz PFFGSZGFPMNMKF-QRTARXTBSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779165 432131950 /nfs/dbraw/zinc/13/19/50/432131950.db2.gz PFFGSZGFPMNMKF-QRTARXTBSA-N 2 2 303.406 3.181 20 5 DGBDLP CCC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000268832550 432144295 /nfs/dbraw/zinc/14/42/95/432144295.db2.gz RGOPJJOEGCWXJI-XJKSGUPXSA-N 2 2 302.378 3.311 20 5 DGBDLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000120491115 195177745 /nfs/dbraw/zinc/17/77/45/195177745.db2.gz PZNXGFLHEIHKTD-MRXNPFEDSA-N 2 2 302.378 3.312 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506971 400171980 /nfs/dbraw/zinc/17/19/80/400171980.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506971 400171983 /nfs/dbraw/zinc/17/19/83/400171983.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506971 400171989 /nfs/dbraw/zinc/17/19/89/400171989.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506971 400171995 /nfs/dbraw/zinc/17/19/95/400171995.db2.gz JIMDOWBTNZOGTE-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[NH+](C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602584820 400505056 /nfs/dbraw/zinc/50/50/56/400505056.db2.gz AXZLVWONPGTKGA-GOSISDBHSA-N 2 2 313.401 3.030 20 5 DGBDLP C[NH+](C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602584822 400505217 /nfs/dbraw/zinc/50/52/17/400505217.db2.gz AXZLVWONPGTKGA-SFHVURJKSA-N 2 2 313.401 3.030 20 5 DGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCC[NH2+]3)o2)c1 ZINC000591275596 400505707 /nfs/dbraw/zinc/50/57/07/400505707.db2.gz IGDOIGNETZRFRG-AWEZNQCLSA-N 2 2 315.373 3.087 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000075758104 400609945 /nfs/dbraw/zinc/60/99/45/400609945.db2.gz XULVJVJDSUXEKE-UHFFFAOYSA-N 2 2 322.368 3.129 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151881308 400676375 /nfs/dbraw/zinc/67/63/75/400676375.db2.gz HBFQPDGXSWPKGT-HOTGVXAUSA-N 2 2 319.449 3.380 20 5 DGBDLP CC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019752 400928894 /nfs/dbraw/zinc/92/88/94/400928894.db2.gz FLPWYXNKDOTYNA-UHFFFAOYSA-N 2 2 300.362 3.039 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)[NH3+] ZINC000594736796 401165768 /nfs/dbraw/zinc/16/57/68/401165768.db2.gz VJTURCOWBBCCNM-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)[NH3+] ZINC000594736796 401165772 /nfs/dbraw/zinc/16/57/72/401165772.db2.gz VJTURCOWBBCCNM-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000595013496 401233256 /nfs/dbraw/zinc/23/32/56/401233256.db2.gz IUMLDTQZZWHLGB-CYBMUJFWSA-N 2 2 321.421 3.127 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652992 286707935 /nfs/dbraw/zinc/70/79/35/286707935.db2.gz HKUQKNQUJPBPPT-HIFRSBDPSA-N 2 2 314.389 3.328 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000130600663 196093817 /nfs/dbraw/zinc/09/38/17/196093817.db2.gz WWDABHMAISZSQO-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618708 265106743 /nfs/dbraw/zinc/10/67/43/265106743.db2.gz SSLXIDAWJQAHEZ-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618708 265106744 /nfs/dbraw/zinc/10/67/44/265106744.db2.gz SSLXIDAWJQAHEZ-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618708 265106746 /nfs/dbraw/zinc/10/67/46/265106746.db2.gz SSLXIDAWJQAHEZ-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618708 265106748 /nfs/dbraw/zinc/10/67/48/265106748.db2.gz SSLXIDAWJQAHEZ-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000278222887 275038419 /nfs/dbraw/zinc/03/84/19/275038419.db2.gz JFVSQYDKXNJGFC-SQNIBIBYSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000278222887 275038420 /nfs/dbraw/zinc/03/84/20/275038420.db2.gz JFVSQYDKXNJGFC-SQNIBIBYSA-N 2 2 315.417 3.189 20 5 DGBDLP Cc1c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631234 431799181 /nfs/dbraw/zinc/79/91/81/431799181.db2.gz VLHKICZXKZCAJA-INIZCTEOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631234 431799186 /nfs/dbraw/zinc/79/91/86/431799186.db2.gz VLHKICZXKZCAJA-INIZCTEOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631234 431799192 /nfs/dbraw/zinc/79/91/92/431799192.db2.gz VLHKICZXKZCAJA-INIZCTEOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631234 431799200 /nfs/dbraw/zinc/79/92/00/431799200.db2.gz VLHKICZXKZCAJA-INIZCTEOSA-N 2 2 317.433 3.067 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647553 /nfs/dbraw/zinc/64/75/53/432647553.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647555 /nfs/dbraw/zinc/64/75/55/432647555.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647560 /nfs/dbraw/zinc/64/75/60/432647560.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492535 432647561 /nfs/dbraw/zinc/64/75/61/432647561.db2.gz IPYBFIVIMJFHHI-WFASDCNBSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000276311582 432794626 /nfs/dbraw/zinc/79/46/26/432794626.db2.gz MLPKTBBKBISCTF-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000276311582 432794630 /nfs/dbraw/zinc/79/46/30/432794630.db2.gz MLPKTBBKBISCTF-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290453235 433058261 /nfs/dbraw/zinc/05/82/61/433058261.db2.gz DJQJUYWXYHEOFF-LBPRGKRZSA-N 2 2 311.345 3.149 20 5 DGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582849 433236555 /nfs/dbraw/zinc/23/65/55/433236555.db2.gz AAQCRUMFCXMTEX-UUWFMWQGSA-N 2 2 315.417 3.045 20 5 DGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582849 433236566 /nfs/dbraw/zinc/23/65/66/433236566.db2.gz AAQCRUMFCXMTEX-UUWFMWQGSA-N 2 2 315.417 3.045 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C[NH3+])CCC1 ZINC000414792814 433838633 /nfs/dbraw/zinc/83/86/33/433838633.db2.gz SOOUFYZWTYDBMW-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(C[NH3+])CCC1 ZINC000414792814 433838638 /nfs/dbraw/zinc/83/86/38/433838638.db2.gz SOOUFYZWTYDBMW-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414953851 433935322 /nfs/dbraw/zinc/93/53/22/433935322.db2.gz MDDLFBAPOKXMAR-IUODEOHRSA-N 2 2 315.373 3.085 20 5 DGBDLP CCC[NH2+]CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414865812 433890002 /nfs/dbraw/zinc/89/00/02/433890002.db2.gz FXECAYSCOXULRK-UHFFFAOYSA-N 2 2 319.430 3.413 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414953856 433936812 /nfs/dbraw/zinc/93/68/12/433936812.db2.gz MDDLFBAPOKXMAR-WFASDCNBSA-N 2 2 315.373 3.085 20 5 DGBDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414954759 293893413 /nfs/dbraw/zinc/89/34/13/293893413.db2.gz KTNNQCCQAREWJN-GFCCVEGCSA-N 2 2 319.430 3.411 20 5 DGBDLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282819 434339136 /nfs/dbraw/zinc/33/91/36/434339136.db2.gz WJXPQFPEJDIOSM-QZTJIDSGSA-N 2 2 313.401 3.257 20 5 DGBDLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423388654 434395932 /nfs/dbraw/zinc/39/59/32/434395932.db2.gz UKMYIDPWSFNVOD-OLZOCXBDSA-N 2 2 311.451 3.053 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401282 434405850 /nfs/dbraw/zinc/40/58/50/434405850.db2.gz XNQAMMYPKZEAMU-CZUORRHYSA-N 2 2 305.422 3.332 20 5 DGBDLP CC(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494450178 435195576 /nfs/dbraw/zinc/19/55/76/435195576.db2.gz CLZPMUDCBOFVTM-AWEZNQCLSA-N 2 2 314.389 3.019 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568461762 435438507 /nfs/dbraw/zinc/43/85/07/435438507.db2.gz XPAZIUIMWGRSRW-KBPBESRZSA-N 2 2 314.389 3.187 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536370166 313758089 /nfs/dbraw/zinc/75/80/89/313758089.db2.gz JTCITBBXJQMOGV-UHFFFAOYSA-N 2 2 312.373 3.066 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091704 534887377 /nfs/dbraw/zinc/88/73/77/534887377.db2.gz ZQEGZPKRYCBUFG-DLBZAZTESA-N 2 2 311.385 3.178 20 5 DGBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415046097 526697252 /nfs/dbraw/zinc/69/72/52/526697252.db2.gz CNOMYLYEJIDKIA-INIZCTEOSA-N 2 2 317.389 3.318 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815406 619814210 /nfs/dbraw/zinc/81/42/10/619814210.db2.gz QWWXDPUPIUDBJV-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815406 619814212 /nfs/dbraw/zinc/81/42/12/619814212.db2.gz QWWXDPUPIUDBJV-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245729 621167914 /nfs/dbraw/zinc/16/79/14/621167914.db2.gz WPUYMJGAWCDPRR-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245729 621167916 /nfs/dbraw/zinc/16/79/16/621167916.db2.gz WPUYMJGAWCDPRR-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023785 622756966 /nfs/dbraw/zinc/75/69/66/622756966.db2.gz KSUULNXLBMWCJM-LBPRGKRZSA-N 2 2 306.341 3.061 20 5 DGBDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129804 622823674 /nfs/dbraw/zinc/82/36/74/622823674.db2.gz UVPUKLHWLHWOOU-CYBMUJFWSA-N 2 2 303.406 3.120 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949300 /nfs/dbraw/zinc/94/93/00/626949300.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949302 /nfs/dbraw/zinc/94/93/02/626949302.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949304 /nfs/dbraw/zinc/94/93/04/626949304.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767511 626949306 /nfs/dbraw/zinc/94/93/06/626949306.db2.gz NDUYGPDBLGRYNB-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039466 630400725 /nfs/dbraw/zinc/40/07/25/630400725.db2.gz QCGQIMCENNAQNV-AWEZNQCLSA-N 2 2 311.813 3.245 20 5 DGBDLP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000049964288 655628197 /nfs/dbraw/zinc/62/81/97/655628197.db2.gz KHCBOTQZYISXLT-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000049964288 655628199 /nfs/dbraw/zinc/62/81/99/655628199.db2.gz KHCBOTQZYISXLT-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563125 661265720 /nfs/dbraw/zinc/26/57/20/661265720.db2.gz KJMQQLJQQFDEHE-LBPRGKRZSA-N 2 2 308.407 3.057 20 5 DGBDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972720 1178836346 /nfs/dbraw/zinc/83/63/46/1178836346.db2.gz JMEILAQTWCQWOF-KGLIPLIRSA-N 2 2 311.813 3.211 20 5 DGBDLP c1nn(C2C[NH2+]C2)cc1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001159741309 1088467698 /nfs/dbraw/zinc/46/76/98/1088467698.db2.gz KWQNABNYTJYWHS-UHFFFAOYSA-N 2 2 315.380 3.472 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429841029 238061861 /nfs/dbraw/zinc/06/18/61/238061861.db2.gz QBDOPEQNLKTPBI-UHFFFAOYSA-N 2 2 311.385 3.289 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429841029 238061862 /nfs/dbraw/zinc/06/18/62/238061862.db2.gz QBDOPEQNLKTPBI-UHFFFAOYSA-N 2 2 311.385 3.289 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683526 193288745 /nfs/dbraw/zinc/28/87/45/193288745.db2.gz FROMDKMTYXEZSO-KRWDZBQOSA-N 2 2 317.433 3.211 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000093683526 193288746 /nfs/dbraw/zinc/28/87/46/193288746.db2.gz FROMDKMTYXEZSO-KRWDZBQOSA-N 2 2 317.433 3.211 20 5 DGBDLP Cc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285194 /nfs/dbraw/zinc/28/51/94/193285194.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285196 /nfs/dbraw/zinc/28/51/96/193285196.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285198 /nfs/dbraw/zinc/28/51/98/193285198.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000093659988 193285199 /nfs/dbraw/zinc/28/51/99/193285199.db2.gz CTSWSKPFAHRGDT-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157445394 197188427 /nfs/dbraw/zinc/18/84/27/197188427.db2.gz GFJQBUGDUZPRNI-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157445394 197188429 /nfs/dbraw/zinc/18/84/29/197188429.db2.gz GFJQBUGDUZPRNI-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000120490940 195177174 /nfs/dbraw/zinc/17/71/74/195177174.db2.gz PZNXGFLHEIHKTD-INIZCTEOSA-N 2 2 302.378 3.312 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000483273664 533406506 /nfs/dbraw/zinc/40/65/06/533406506.db2.gz UDVKXOKYOYGMEI-RVDMUPIBSA-N 2 2 317.433 3.461 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[NH+]1CCCCC1 ZINC000468653513 533409254 /nfs/dbraw/zinc/40/92/54/533409254.db2.gz WJZBBNKNAARXCL-NTCAYCPXSA-N 2 2 303.406 3.074 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000611261859 400368149 /nfs/dbraw/zinc/36/81/49/400368149.db2.gz NILRWRHVABHAKL-BYPUDFOVSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000611261859 400368157 /nfs/dbraw/zinc/36/81/57/400368157.db2.gz NILRWRHVABHAKL-BYPUDFOVSA-N 2 2 312.373 3.211 20 5 DGBDLP Cc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000592380132 400643039 /nfs/dbraw/zinc/64/30/39/400643039.db2.gz RNCBBQIXKNHAQZ-UHFFFAOYSA-N 2 2 324.384 3.192 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599072932 400950428 /nfs/dbraw/zinc/95/04/28/400950428.db2.gz COILPYSFUZLKPZ-YOEHRIQHSA-N 2 2 315.417 3.189 20 5 DGBDLP C[N@@H+]1CCCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141820 400974725 /nfs/dbraw/zinc/97/47/25/400974725.db2.gz RSMSRWKHJOCIQB-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141820 400974731 /nfs/dbraw/zinc/97/47/31/400974731.db2.gz RSMSRWKHJOCIQB-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105888 /nfs/dbraw/zinc/10/58/88/401105888.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105893 /nfs/dbraw/zinc/10/58/93/401105893.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105899 /nfs/dbraw/zinc/10/58/99/401105899.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255582407 401105905 /nfs/dbraw/zinc/10/59/05/401105905.db2.gz AAHXIQCQTFFJTH-DBZNTZSBSA-N 2 2 315.417 3.167 20 5 DGBDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519385 401098108 /nfs/dbraw/zinc/09/81/08/401098108.db2.gz KGDYYXIJOOEUJS-XKQJLSEDSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519385 401098112 /nfs/dbraw/zinc/09/81/12/401098112.db2.gz KGDYYXIJOOEUJS-XKQJLSEDSA-N 2 2 303.406 3.262 20 5 DGBDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521248 401099169 /nfs/dbraw/zinc/09/91/69/401099169.db2.gz STYGJTLTHPLQQL-CVEARBPZSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594521248 401099175 /nfs/dbraw/zinc/09/91/75/401099175.db2.gz STYGJTLTHPLQQL-CVEARBPZSA-N 2 2 303.406 3.010 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(C)[NH3+] ZINC000594734859 401164167 /nfs/dbraw/zinc/16/41/67/401164167.db2.gz GCOHRTGAMJJNBL-UHFFFAOYSA-N 2 2 319.430 3.492 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(C)[NH3+] ZINC000594734859 401164168 /nfs/dbraw/zinc/16/41/68/401164168.db2.gz GCOHRTGAMJJNBL-UHFFFAOYSA-N 2 2 319.430 3.492 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292837390 287152612 /nfs/dbraw/zinc/15/26/12/287152612.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292837390 287152613 /nfs/dbraw/zinc/15/26/13/287152613.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292837390 287152614 /nfs/dbraw/zinc/15/26/14/287152614.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292837390 287152615 /nfs/dbraw/zinc/15/26/15/287152615.db2.gz AYVOLCJXQKSVHM-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000182187333 432164749 /nfs/dbraw/zinc/16/47/49/432164749.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000182187333 432164753 /nfs/dbraw/zinc/16/47/53/432164753.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000182187333 432164755 /nfs/dbraw/zinc/16/47/55/432164755.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000182187333 432164759 /nfs/dbraw/zinc/16/47/59/432164759.db2.gz ANHQRPKIRAOYSL-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247244776 432215509 /nfs/dbraw/zinc/21/55/09/432215509.db2.gz WXNUCEVRTQDLOK-PBHICJAKSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247244776 432215512 /nfs/dbraw/zinc/21/55/12/432215512.db2.gz WXNUCEVRTQDLOK-PBHICJAKSA-N 2 2 314.389 3.183 20 5 DGBDLP C[NH+](C)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174539 230144627 /nfs/dbraw/zinc/14/46/27/230144627.db2.gz QGDYAYVWFICQFD-KGLIPLIRSA-N 2 2 314.389 3.428 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671771 264077747 /nfs/dbraw/zinc/07/77/47/264077747.db2.gz HCOZZDKJGYSWGI-HNNXBMFYSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671771 264077749 /nfs/dbraw/zinc/07/77/49/264077749.db2.gz HCOZZDKJGYSWGI-HNNXBMFYSA-N 2 2 315.373 3.039 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271353484 432378957 /nfs/dbraw/zinc/37/89/57/432378957.db2.gz YUSOYPDUHVAJPW-KEYYUXOJSA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000192942678 432432177 /nfs/dbraw/zinc/43/21/77/432432177.db2.gz RMQKTGZNDJOWBR-RVZJWNSFSA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000192942678 432432181 /nfs/dbraw/zinc/43/21/81/432432181.db2.gz RMQKTGZNDJOWBR-RVZJWNSFSA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041004 432469717 /nfs/dbraw/zinc/46/97/17/432469717.db2.gz PBYBVLMHOABLDL-FZMZJTMJSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041004 432469721 /nfs/dbraw/zinc/46/97/21/432469721.db2.gz PBYBVLMHOABLDL-FZMZJTMJSA-N 2 2 317.414 3.102 20 5 DGBDLP Cc1cc([N+](=O)[O-])ccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351571287 433586376 /nfs/dbraw/zinc/58/63/76/433586376.db2.gz WMNMNGUWNOBGLA-UHFFFAOYSA-N 2 2 323.356 3.155 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414869543 433895067 /nfs/dbraw/zinc/89/50/67/433895067.db2.gz RDEDUYZMHDRGFP-ZDUSSCGKSA-N 2 2 317.414 3.165 20 5 DGBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414851896 433881013 /nfs/dbraw/zinc/88/10/13/433881013.db2.gz QAPUEKJYZCHDFO-CQSZACIVSA-N 2 2 317.389 3.318 20 5 DGBDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203724 293915335 /nfs/dbraw/zinc/91/53/35/293915335.db2.gz NBWLGPXSKNRYGX-NWDGAFQWSA-N 2 2 317.414 3.336 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258960 434320425 /nfs/dbraw/zinc/32/04/25/434320425.db2.gz CRRSSGOTKXWWLT-GXTWGEPZSA-N 2 2 309.410 3.018 20 5 DGBDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349407535 434705371 /nfs/dbraw/zinc/70/53/71/434705371.db2.gz OBITWUNOWRDWPE-UHFFFAOYSA-N 2 2 313.829 3.412 20 5 DGBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349407535 434705379 /nfs/dbraw/zinc/70/53/79/434705379.db2.gz OBITWUNOWRDWPE-UHFFFAOYSA-N 2 2 313.829 3.412 20 5 DGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301194 435073229 /nfs/dbraw/zinc/07/32/29/435073229.db2.gz LHUWOAHANUNIMT-CXAGYDPISA-N 2 2 317.433 3.249 20 5 DGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301194 435073232 /nfs/dbraw/zinc/07/32/32/435073232.db2.gz LHUWOAHANUNIMT-CXAGYDPISA-N 2 2 317.433 3.249 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568461763 435438939 /nfs/dbraw/zinc/43/89/39/435438939.db2.gz XPAZIUIMWGRSRW-KGLIPLIRSA-N 2 2 314.389 3.187 20 5 DGBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415059992 526619935 /nfs/dbraw/zinc/61/99/35/526619935.db2.gz VSOHKHSSZPHLBM-MRXNPFEDSA-N 2 2 317.389 3.318 20 5 DGBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415046100 526620840 /nfs/dbraw/zinc/62/08/40/526620840.db2.gz CNOMYLYEJIDKIA-MRXNPFEDSA-N 2 2 317.389 3.318 20 5 DGBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902435528 619635893 /nfs/dbraw/zinc/63/58/93/619635893.db2.gz UOOJMXWVSOAVIE-GUDVDZBRSA-N 2 2 323.396 3.187 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902438269 619636175 /nfs/dbraw/zinc/63/61/75/619636175.db2.gz LWPSKCUSLOWQJO-RCCFBDPRSA-N 2 2 311.385 3.260 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000866386134 622108374 /nfs/dbraw/zinc/10/83/74/622108374.db2.gz XSABJEQAZVDLPV-IUODEOHRSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000866386134 622108376 /nfs/dbraw/zinc/10/83/76/622108376.db2.gz XSABJEQAZVDLPV-IUODEOHRSA-N 2 2 323.412 3.127 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876765949 623701477 /nfs/dbraw/zinc/70/14/77/623701477.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876765949 623701478 /nfs/dbraw/zinc/70/14/78/623701478.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000876765949 623701483 /nfs/dbraw/zinc/70/14/83/623701483.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000876765949 623701485 /nfs/dbraw/zinc/70/14/85/623701485.db2.gz XMRDOEWFIAXMQF-ZFWWWQNUSA-N 2 2 305.422 3.126 20 5 DGBDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000809738693 626944404 /nfs/dbraw/zinc/94/44/04/626944404.db2.gz FFOFFFXRBUMZFX-UHFFFAOYSA-N 2 2 319.430 3.350 20 5 DGBDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000809738693 626944408 /nfs/dbraw/zinc/94/44/08/626944408.db2.gz FFOFFFXRBUMZFX-UHFFFAOYSA-N 2 2 319.430 3.350 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865896 627951654 /nfs/dbraw/zinc/95/16/54/627951654.db2.gz OIXQIAHPZRENJZ-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865896 627951660 /nfs/dbraw/zinc/95/16/60/627951660.db2.gz OIXQIAHPZRENJZ-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[NH2+][C@H](C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122365 1095938002 /nfs/dbraw/zinc/93/80/02/1095938002.db2.gz VCBCZOPBEQGEHT-KDOFPFPSSA-N 2 2 313.401 3.272 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001173233664 1097378543 /nfs/dbraw/zinc/37/85/43/1097378543.db2.gz XWPHJERGHVQBOK-CQSZACIVSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001173233664 1097378548 /nfs/dbraw/zinc/37/85/48/1097378548.db2.gz XWPHJERGHVQBOK-CQSZACIVSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001173234362 1097378727 /nfs/dbraw/zinc/37/87/27/1097378727.db2.gz OKHMFSPDDZOJEQ-HOTGVXAUSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370561 238297266 /nfs/dbraw/zinc/29/72/66/238297266.db2.gz JJQAGVWNGRXKII-SNVBAGLBSA-N 2 2 323.780 3.287 20 5 DGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370561 238297271 /nfs/dbraw/zinc/29/72/71/238297271.db2.gz JJQAGVWNGRXKII-SNVBAGLBSA-N 2 2 323.780 3.287 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775124 432130756 /nfs/dbraw/zinc/13/07/56/432130756.db2.gz NMSSVPCCDBGELC-BBWFWOEESA-N 2 2 303.406 3.262 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775124 432130759 /nfs/dbraw/zinc/13/07/59/432130759.db2.gz NMSSVPCCDBGELC-BBWFWOEESA-N 2 2 303.406 3.262 20 5 DGBDLP CCC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000268832542 432144626 /nfs/dbraw/zinc/14/46/26/432144626.db2.gz RGOPJJOEGCWXJI-BBRMVZONSA-N 2 2 302.378 3.311 20 5 DGBDLP CCC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000268832548 432144837 /nfs/dbraw/zinc/14/48/37/432144837.db2.gz RGOPJJOEGCWXJI-CZUORRHYSA-N 2 2 302.378 3.311 20 5 DGBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000337221119 253064793 /nfs/dbraw/zinc/06/47/93/253064793.db2.gz DVGJOTDWUHFSQF-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000337221119 253064794 /nfs/dbraw/zinc/06/47/94/253064794.db2.gz DVGJOTDWUHFSQF-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP Cc1ccc(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000338954951 253377677 /nfs/dbraw/zinc/37/76/77/253377677.db2.gz RTBHLUIOGXJUAP-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP Cc1ccc(CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000338954951 253377679 /nfs/dbraw/zinc/37/76/79/253377679.db2.gz RTBHLUIOGXJUAP-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000344816333 254307889 /nfs/dbraw/zinc/30/78/89/254307889.db2.gz CRMVOYCONJLYTM-CKNOQMABSA-N 2 2 314.389 3.121 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000595327897 400128749 /nfs/dbraw/zinc/12/87/49/400128749.db2.gz DQAGJSSMTOFOMR-INIZCTEOSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000595327897 400128752 /nfs/dbraw/zinc/12/87/52/400128752.db2.gz DQAGJSSMTOFOMR-INIZCTEOSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611782104 400452238 /nfs/dbraw/zinc/45/22/38/400452238.db2.gz MRFRTEJYSZXJPL-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611782104 400452244 /nfs/dbraw/zinc/45/22/44/400452244.db2.gz MRFRTEJYSZXJPL-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)o1 ZINC000591275650 400505871 /nfs/dbraw/zinc/50/58/71/400505871.db2.gz OUWVXTBJHLDAEO-ZDUSSCGKSA-N 2 2 315.373 3.087 20 5 DGBDLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138251 400569260 /nfs/dbraw/zinc/56/92/60/400569260.db2.gz NOWMAHCLYVJORN-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138251 400569262 /nfs/dbraw/zinc/56/92/62/400569262.db2.gz NOWMAHCLYVJORN-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861337 400615226 /nfs/dbraw/zinc/61/52/26/400615226.db2.gz MSOZICYDOJJXBM-GJZGRUSLSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861337 400615233 /nfs/dbraw/zinc/61/52/33/400615233.db2.gz MSOZICYDOJJXBM-GJZGRUSLSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861337 400615240 /nfs/dbraw/zinc/61/52/40/400615240.db2.gz MSOZICYDOJJXBM-GJZGRUSLSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861337 400615246 /nfs/dbraw/zinc/61/52/46/400615246.db2.gz MSOZICYDOJJXBM-GJZGRUSLSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000151881377 400676578 /nfs/dbraw/zinc/67/65/78/400676578.db2.gz HBFQPDGXSWPKGT-CVEARBPZSA-N 2 2 319.449 3.380 20 5 DGBDLP CN(CC1([NH+](C)C)CCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599071957 400950587 /nfs/dbraw/zinc/95/05/87/400950587.db2.gz CTRNBCJLZZJRRG-UHFFFAOYSA-N 2 2 314.389 3.064 20 5 DGBDLP CC[NH+](CC)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599016104 400927587 /nfs/dbraw/zinc/92/75/87/400927587.db2.gz KNXMEPWXTQNOOU-UHFFFAOYSA-N 2 2 302.378 3.287 20 5 DGBDLP CC(C)[N@H+](C)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599021112 400928160 /nfs/dbraw/zinc/92/81/60/400928160.db2.gz DNCRKZISRRNVIZ-UHFFFAOYSA-N 2 2 302.378 3.285 20 5 DGBDLP CC(C)[N@@H+](C)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599021112 400928167 /nfs/dbraw/zinc/92/81/67/400928167.db2.gz DNCRKZISRRNVIZ-UHFFFAOYSA-N 2 2 302.378 3.285 20 5 DGBDLP CC[NH+](CC)[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599020712 400928399 /nfs/dbraw/zinc/92/83/99/400928399.db2.gz AMKGMMOQYYRPNA-GFCCVEGCSA-N 2 2 302.378 3.285 20 5 DGBDLP C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599039610 400934345 /nfs/dbraw/zinc/93/43/45/400934345.db2.gz BWEDFWMFAKFSIG-LLVKDONJSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000599039610 400934350 /nfs/dbraw/zinc/93/43/50/400934350.db2.gz BWEDFWMFAKFSIG-LLVKDONJSA-N 2 2 300.362 3.038 20 5 DGBDLP CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599099004 400960596 /nfs/dbraw/zinc/96/05/96/400960596.db2.gz QQDNERAXIMHCAQ-ZDUSSCGKSA-N 2 2 314.389 3.428 20 5 DGBDLP CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599099004 400960604 /nfs/dbraw/zinc/96/06/04/400960604.db2.gz QQDNERAXIMHCAQ-ZDUSSCGKSA-N 2 2 314.389 3.428 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255353987 401103626 /nfs/dbraw/zinc/10/36/26/401103626.db2.gz PDHZADZMBHZKCB-WRLNGNIRSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000255353987 401103631 /nfs/dbraw/zinc/10/36/31/401103631.db2.gz PDHZADZMBHZKCB-WRLNGNIRSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000255586706 401106006 /nfs/dbraw/zinc/10/60/06/401106006.db2.gz YQEOMGGBXUGUON-HYXAFXHYSA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594520949 401098979 /nfs/dbraw/zinc/09/89/79/401098979.db2.gz RUICPJFBACJFEY-XYJFISCASA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594520949 401098983 /nfs/dbraw/zinc/09/89/83/401098983.db2.gz RUICPJFBACJFEY-XYJFISCASA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246979644 432187191 /nfs/dbraw/zinc/18/71/91/432187191.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246979644 432187195 /nfs/dbraw/zinc/18/71/95/432187195.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979644 432187197 /nfs/dbraw/zinc/18/71/97/432187197.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979644 432187199 /nfs/dbraw/zinc/18/71/99/432187199.db2.gz VWFMVXIRXDYJLF-YJBOKZPZSA-N 2 2 315.417 3.044 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671773 264077543 /nfs/dbraw/zinc/07/75/43/264077543.db2.gz HCOZZDKJGYSWGI-OAHLLOKOSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346671773 264077544 /nfs/dbraw/zinc/07/75/44/264077544.db2.gz HCOZZDKJGYSWGI-OAHLLOKOSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022385 264141986 /nfs/dbraw/zinc/14/19/86/264141986.db2.gz OCSDTMXXFTUIFR-OAHLLOKOSA-N 2 2 305.422 3.150 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022385 264141989 /nfs/dbraw/zinc/14/19/89/264141989.db2.gz OCSDTMXXFTUIFR-OAHLLOKOSA-N 2 2 305.422 3.150 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106765 /nfs/dbraw/zinc/10/67/65/265106765.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106767 /nfs/dbraw/zinc/10/67/67/265106767.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106769 /nfs/dbraw/zinc/10/67/69/265106769.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352618707 265106772 /nfs/dbraw/zinc/10/67/72/265106772.db2.gz SSLXIDAWJQAHEZ-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582846 274344093 /nfs/dbraw/zinc/34/40/93/274344093.db2.gz AAQCRUMFCXMTEX-OCBCSQNSSA-N 2 2 315.417 3.045 20 5 DGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582846 274344096 /nfs/dbraw/zinc/34/40/96/274344096.db2.gz AAQCRUMFCXMTEX-OCBCSQNSSA-N 2 2 315.417 3.045 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332440321 433007135 /nfs/dbraw/zinc/00/71/35/433007135.db2.gz INISQUQFYVMMRW-LBPRGKRZSA-N 2 2 300.362 3.259 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163825605 292872066 /nfs/dbraw/zinc/87/20/66/292872066.db2.gz WFHJOBMBKVZFJB-AWEZNQCLSA-N 2 2 314.389 3.451 20 5 DGBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414804146 433850502 /nfs/dbraw/zinc/85/05/02/433850502.db2.gz NBCLWQSBEMIPGB-UHFFFAOYSA-N 2 2 317.389 3.462 20 5 DGBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414813870 433852750 /nfs/dbraw/zinc/85/27/50/433852750.db2.gz NAIAVASQWJPJAV-ZDUSSCGKSA-N 2 2 317.389 3.462 20 5 DGBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414814874 433857254 /nfs/dbraw/zinc/85/72/54/433857254.db2.gz OLNKFHADNSUMBX-AWEZNQCLSA-N 2 2 317.389 3.462 20 5 DGBDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000387719908 434327669 /nfs/dbraw/zinc/32/76/69/434327669.db2.gz MQYSMHQGUBXWEF-INIZCTEOSA-N 2 2 302.378 3.312 20 5 DGBDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300187 434350126 /nfs/dbraw/zinc/35/01/26/434350126.db2.gz RBJCTCZLXBUGLT-JSGCOSHPSA-N 2 2 309.410 3.162 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512072 434466011 /nfs/dbraw/zinc/46/60/11/434466011.db2.gz UMRWFQBNLHFOEV-SWLSCSKDSA-N 2 2 321.421 3.162 20 5 DGBDLP CC(C)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000349405065 434705558 /nfs/dbraw/zinc/70/55/58/434705558.db2.gz HIUIQGHMBZONHV-UHFFFAOYSA-N 2 2 316.405 3.437 20 5 DGBDLP CC(C)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000349405065 434705564 /nfs/dbraw/zinc/70/55/64/434705564.db2.gz HIUIQGHMBZONHV-UHFFFAOYSA-N 2 2 316.405 3.437 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842655 435030195 /nfs/dbraw/zinc/03/01/95/435030195.db2.gz IKPVJVGBDNHWPS-ZDUSSCGKSA-N 2 2 314.389 3.285 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842655 435030199 /nfs/dbraw/zinc/03/01/99/435030199.db2.gz IKPVJVGBDNHWPS-ZDUSSCGKSA-N 2 2 314.389 3.285 20 5 DGBDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301197 435073599 /nfs/dbraw/zinc/07/35/99/435073599.db2.gz LHUWOAHANUNIMT-SUMWQHHRSA-N 2 2 317.433 3.249 20 5 DGBDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301197 435073604 /nfs/dbraw/zinc/07/36/04/435073604.db2.gz LHUWOAHANUNIMT-SUMWQHHRSA-N 2 2 317.433 3.249 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363791 435157341 /nfs/dbraw/zinc/15/73/41/435157341.db2.gz NKUJGQYPMXWKQL-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363791 435157344 /nfs/dbraw/zinc/15/73/44/435157344.db2.gz NKUJGQYPMXWKQL-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363791 435157346 /nfs/dbraw/zinc/15/73/46/435157346.db2.gz NKUJGQYPMXWKQL-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363791 435157349 /nfs/dbraw/zinc/15/73/49/435157349.db2.gz NKUJGQYPMXWKQL-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389245 533789749 /nfs/dbraw/zinc/78/97/49/533789749.db2.gz LNCXRLNOOFKAGD-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389245 533789752 /nfs/dbraw/zinc/78/97/52/533789752.db2.gz LNCXRLNOOFKAGD-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP Cc1c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842660 /nfs/dbraw/zinc/84/26/60/533842660.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842668 /nfs/dbraw/zinc/84/26/68/533842668.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842679 /nfs/dbraw/zinc/84/26/79/533842679.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000173959931 533842686 /nfs/dbraw/zinc/84/26/86/533842686.db2.gz WYHFKPDKJNVQKD-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864777 528241790 /nfs/dbraw/zinc/24/17/90/528241790.db2.gz FTHOJMZCTGHCRK-HOCLYGCPSA-N 2 2 314.389 3.237 20 5 DGBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668846 618131756 /nfs/dbraw/zinc/13/17/56/618131756.db2.gz RJGHMMKGSNUCFJ-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668846 618131761 /nfs/dbraw/zinc/13/17/61/618131761.db2.gz RJGHMMKGSNUCFJ-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP CCC1([NH3+])CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000903946827 619843939 /nfs/dbraw/zinc/84/39/39/619843939.db2.gz CBVGGTBIYPTJTE-UHFFFAOYSA-N 2 2 305.422 3.422 20 5 DGBDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652850 621694264 /nfs/dbraw/zinc/69/42/64/621694264.db2.gz XSBVYOJZXQHBKM-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652850 621694265 /nfs/dbraw/zinc/69/42/65/621694265.db2.gz XSBVYOJZXQHBKM-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037672 622767712 /nfs/dbraw/zinc/76/77/12/622767712.db2.gz DOWYLZSLNPONGP-FRRDWIJNSA-N 2 2 323.462 3.450 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037672 622767717 /nfs/dbraw/zinc/76/77/17/622767717.db2.gz DOWYLZSLNPONGP-FRRDWIJNSA-N 2 2 323.462 3.450 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000873117845 623039602 /nfs/dbraw/zinc/03/96/02/623039602.db2.gz OZNKNYLRFCTVAW-UHFFFAOYSA-N 2 2 317.433 3.318 20 5 DGBDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000876957316 623754943 /nfs/dbraw/zinc/75/49/43/623754943.db2.gz XHXGMWPVWULPAK-INIZCTEOSA-N 2 2 316.405 3.038 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948646 /nfs/dbraw/zinc/94/86/46/626948646.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948650 /nfs/dbraw/zinc/94/86/50/626948650.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948652 /nfs/dbraw/zinc/94/86/52/626948652.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766460 626948655 /nfs/dbraw/zinc/94/86/55/626948655.db2.gz XYFIINSNHRDQRN-BXUZGUMPSA-N 2 2 311.813 3.020 20 5 DGBDLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000925310600 627729115 /nfs/dbraw/zinc/72/91/15/627729115.db2.gz NMDMLYSYIZRDPS-UHFFFAOYSA-N 2 2 305.422 3.195 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864742 627951824 /nfs/dbraw/zinc/95/18/24/627951824.db2.gz CXMYINUPASWIQU-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864742 627951829 /nfs/dbraw/zinc/95/18/29/627951829.db2.gz CXMYINUPASWIQU-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050443845 655785255 /nfs/dbraw/zinc/78/52/55/655785255.db2.gz UBIKSGVIQLZVAC-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000084439871 662200629 /nfs/dbraw/zinc/20/06/29/662200629.db2.gz WXNPJDNEGMYXNX-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001461810031 1182858788 /nfs/dbraw/zinc/85/87/88/1182858788.db2.gz ZSLWKUONUPKZED-QXSWTLKVSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001461810031 1182858792 /nfs/dbraw/zinc/85/87/92/1182858792.db2.gz ZSLWKUONUPKZED-QXSWTLKVSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539706 1106099191 /nfs/dbraw/zinc/09/91/91/1106099191.db2.gz JYPVKKMODIBAAP-JKSUJKDBSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123209 240027104 /nfs/dbraw/zinc/02/71/04/240027104.db2.gz BNZFODZLUVYBPW-ZBFHGGJFSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123209 240027107 /nfs/dbraw/zinc/02/71/07/240027107.db2.gz BNZFODZLUVYBPW-ZBFHGGJFSA-N 2 2 317.433 3.132 20 5 DGBDLP CC(C)C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449078234 240007004 /nfs/dbraw/zinc/00/70/04/240007004.db2.gz XMCVFCRDRIZLTL-GOEBONIOSA-N 2 2 307.438 3.092 20 5 DGBDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014402 /nfs/dbraw/zinc/01/44/02/284014402.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014404 /nfs/dbraw/zinc/01/44/04/284014404.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014405 /nfs/dbraw/zinc/01/44/05/284014405.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770370 284014407 /nfs/dbraw/zinc/01/44/07/284014407.db2.gz YOMNMAICXYYTPF-MRXNPFEDSA-N 2 2 319.449 3.492 20 5 DGBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897611 194163604 /nfs/dbraw/zinc/16/36/04/194163604.db2.gz XAFZGOQKWCDPKU-CYBMUJFWSA-N 2 2 320.418 3.252 20 5 DGBDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897611 194163607 /nfs/dbraw/zinc/16/36/07/194163607.db2.gz XAFZGOQKWCDPKU-CYBMUJFWSA-N 2 2 320.418 3.252 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506970 400172668 /nfs/dbraw/zinc/17/26/68/400172668.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506970 400172672 /nfs/dbraw/zinc/17/26/72/400172672.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506970 400172676 /nfs/dbraw/zinc/17/26/76/400172676.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506970 400172680 /nfs/dbraw/zinc/17/26/80/400172680.db2.gz JIMDOWBTNZOGTE-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132365 /nfs/dbraw/zinc/13/23/65/400132365.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132372 /nfs/dbraw/zinc/13/23/72/400132372.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132378 /nfs/dbraw/zinc/13/23/78/400132378.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346475 400132380 /nfs/dbraw/zinc/13/23/80/400132380.db2.gz JJYHIXORTYOBPN-WFASDCNBSA-N 2 2 309.385 3.039 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000595396188 400139877 /nfs/dbraw/zinc/13/98/77/400139877.db2.gz YYPOWEAJPQFWKP-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000595396188 400139880 /nfs/dbraw/zinc/13/98/80/400139880.db2.gz YYPOWEAJPQFWKP-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000601110028 400235355 /nfs/dbraw/zinc/23/53/55/400235355.db2.gz XCOLIJGFROICDS-UHFFFAOYSA-N 2 2 323.356 3.250 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000602536145 400491062 /nfs/dbraw/zinc/49/10/62/400491062.db2.gz ZPVYIDBVSGCDSC-UHFFFAOYSA-N 2 2 314.389 3.014 20 5 DGBDLP C[NH+](C)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599073124 400949781 /nfs/dbraw/zinc/94/97/81/400949781.db2.gz LHGCFHFHOJKUIN-CQSZACIVSA-N 2 2 314.389 3.064 20 5 DGBDLP C[NH+](C)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599073733 400952014 /nfs/dbraw/zinc/95/20/14/400952014.db2.gz QDOSGBHPVGCZMR-UHFFFAOYSA-N 2 2 300.362 3.039 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599031609 400933208 /nfs/dbraw/zinc/93/32/08/400933208.db2.gz GIYKOUNAYLXSIM-ZDUSSCGKSA-N 2 2 300.362 3.038 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599031609 400933213 /nfs/dbraw/zinc/93/32/13/400933213.db2.gz GIYKOUNAYLXSIM-ZDUSSCGKSA-N 2 2 300.362 3.038 20 5 DGBDLP C[NH+](C)C1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599090156 400956741 /nfs/dbraw/zinc/95/67/41/400956741.db2.gz JWHKXSRGNCTQFB-UHFFFAOYSA-N 2 2 314.389 3.428 20 5 DGBDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035514 432213503 /nfs/dbraw/zinc/21/35/03/432213503.db2.gz JOHQDYOMYJYBTE-HNNXBMFYSA-N 2 2 313.401 3.377 20 5 DGBDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035514 432213504 /nfs/dbraw/zinc/21/35/04/432213504.db2.gz JOHQDYOMYJYBTE-HNNXBMFYSA-N 2 2 313.401 3.377 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067901 230124831 /nfs/dbraw/zinc/12/48/31/230124831.db2.gz XHRLWTPXGVNCQD-ZIAGYGMSSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067901 230124835 /nfs/dbraw/zinc/12/48/35/230124835.db2.gz XHRLWTPXGVNCQD-ZIAGYGMSSA-N 2 2 312.373 3.182 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921614 274278108 /nfs/dbraw/zinc/27/81/08/274278108.db2.gz MGPQRAVCPHFOFW-QWHCGFSZSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921614 274278110 /nfs/dbraw/zinc/27/81/10/274278110.db2.gz MGPQRAVCPHFOFW-QWHCGFSZSA-N 2 2 300.362 3.259 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134873019 275039908 /nfs/dbraw/zinc/03/99/08/275039908.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134873019 275039910 /nfs/dbraw/zinc/03/99/10/275039910.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873019 275039911 /nfs/dbraw/zinc/03/99/11/275039911.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134873019 275039913 /nfs/dbraw/zinc/03/99/13/275039913.db2.gz JJJLIPVWPSIKIR-RHSMWYFYSA-N 2 2 315.417 3.044 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000276311569 432795109 /nfs/dbraw/zinc/79/51/09/432795109.db2.gz MLPKTBBKBISCTF-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000276311569 432795113 /nfs/dbraw/zinc/79/51/13/432795113.db2.gz MLPKTBBKBISCTF-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP CC(C)C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449078235 433725803 /nfs/dbraw/zinc/72/58/03/433725803.db2.gz XMCVFCRDRIZLTL-HOCLYGCPSA-N 2 2 307.438 3.092 20 5 DGBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414803134 433842410 /nfs/dbraw/zinc/84/24/10/433842410.db2.gz LOQRARGERCVMDD-UHFFFAOYSA-N 2 2 317.389 3.462 20 5 DGBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282821 434340221 /nfs/dbraw/zinc/34/02/21/434340221.db2.gz WJXPQFPEJDIOSM-ZWKOTPCHSA-N 2 2 313.401 3.257 20 5 DGBDLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282818 434340330 /nfs/dbraw/zinc/34/03/30/434340330.db2.gz WJXPQFPEJDIOSM-MSOLQXFVSA-N 2 2 313.401 3.257 20 5 DGBDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300186 434347912 /nfs/dbraw/zinc/34/79/12/434347912.db2.gz RBJCTCZLXBUGLT-GXTWGEPZSA-N 2 2 309.410 3.162 20 5 DGBDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423530898 434475804 /nfs/dbraw/zinc/47/58/04/434475804.db2.gz PUFOYXBENRFWJT-DOPJRALCSA-N 2 2 311.385 3.001 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000527288052 295089415 /nfs/dbraw/zinc/08/94/15/295089415.db2.gz CAFNZQXCTNFDRH-RVDMUPIBSA-N 2 2 314.389 3.265 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000349204231 434635522 /nfs/dbraw/zinc/63/55/22/434635522.db2.gz WIPUOCLGKSYOIQ-ZIAGYGMSSA-N 2 2 323.462 3.149 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000349204231 434635527 /nfs/dbraw/zinc/63/55/27/434635527.db2.gz WIPUOCLGKSYOIQ-ZIAGYGMSSA-N 2 2 323.462 3.149 20 5 DGBDLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182700141 323309024 /nfs/dbraw/zinc/30/90/24/323309024.db2.gz MTYFGDUSEPXLBJ-UHFFFAOYSA-N 2 2 302.378 3.092 20 5 DGBDLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000182700141 323309027 /nfs/dbraw/zinc/30/90/27/323309027.db2.gz MTYFGDUSEPXLBJ-UHFFFAOYSA-N 2 2 302.378 3.092 20 5 DGBDLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245470 619743653 /nfs/dbraw/zinc/74/36/53/619743653.db2.gz MIUIXSIOAVFBHA-KYJSFNMBSA-N 2 2 317.433 3.305 20 5 DGBDLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245470 619743655 /nfs/dbraw/zinc/74/36/55/619743655.db2.gz MIUIXSIOAVFBHA-KYJSFNMBSA-N 2 2 317.433 3.305 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815642 619814419 /nfs/dbraw/zinc/81/44/19/619814419.db2.gz SKQGDZLDXCMPSY-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815642 619814421 /nfs/dbraw/zinc/81/44/21/619814421.db2.gz SKQGDZLDXCMPSY-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652849 621694240 /nfs/dbraw/zinc/69/42/40/621694240.db2.gz XSBVYOJZXQHBKM-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000863652849 621694241 /nfs/dbraw/zinc/69/42/41/621694241.db2.gz XSBVYOJZXQHBKM-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000872021158 622756331 /nfs/dbraw/zinc/75/63/31/622756331.db2.gz NQOUHHSPEGVRIR-NWDGAFQWSA-N 2 2 320.418 3.253 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000876663194 623674157 /nfs/dbraw/zinc/67/41/57/623674157.db2.gz XOJQVVBXPMPBPB-UHFFFAOYSA-N 2 2 305.422 3.174 20 5 DGBDLP COCC[NH2+]CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841048143 630402053 /nfs/dbraw/zinc/40/20/53/630402053.db2.gz LZODCCKTGUQCMD-UHFFFAOYSA-N 2 2 308.425 3.319 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622612 661832079 /nfs/dbraw/zinc/83/20/79/661832079.db2.gz OFDMXMRZIGISDC-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622612 661832081 /nfs/dbraw/zinc/83/20/81/661832081.db2.gz OFDMXMRZIGISDC-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461125434 1182771474 /nfs/dbraw/zinc/77/14/74/1182771474.db2.gz GQRKNZNCXPNJFM-ZDUSSCGKSA-N 2 2 317.389 3.285 20 5 DGBDLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001576389021 1191579243 /nfs/dbraw/zinc/57/92/43/1191579243.db2.gz DMABCMZVFPAAHT-YUELXQCFSA-N 2 2 323.824 3.114 20 5 DGBDLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576390440 1191580505 /nfs/dbraw/zinc/58/05/05/1191580505.db2.gz OAXKBMNNEVYHMA-CFVMTHIKSA-N 2 2 323.824 3.114 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001206691077 1091703933 /nfs/dbraw/zinc/70/39/33/1091703933.db2.gz BVPLFXZLEDHRMZ-SFHVURJKSA-N 2 2 317.433 3.134 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001206691077 1091703937 /nfs/dbraw/zinc/70/39/37/1091703937.db2.gz BVPLFXZLEDHRMZ-SFHVURJKSA-N 2 2 317.433 3.134 20 5 DGBDLP C[NH+]1CCC(C)(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413239591 530048398 /nfs/dbraw/zinc/04/83/98/530048398.db2.gz QZTUTHRPKVINPN-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DGBDLP C[NH+](C)CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179969629 432075936 /nfs/dbraw/zinc/07/59/36/432075936.db2.gz DTOSEIFPXYDSHP-GOSISDBHSA-N 2 2 313.401 3.226 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267382147 206025178 /nfs/dbraw/zinc/02/51/78/206025178.db2.gz AXSGZYRPGYMDAV-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000267382147 206025181 /nfs/dbraw/zinc/02/51/81/206025181.db2.gz AXSGZYRPGYMDAV-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507948 400172117 /nfs/dbraw/zinc/17/21/17/400172117.db2.gz SCCLGTRPRVHGQY-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507948 400172120 /nfs/dbraw/zinc/17/21/20/400172120.db2.gz SCCLGTRPRVHGQY-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507948 400172128 /nfs/dbraw/zinc/17/21/28/400172128.db2.gz SCCLGTRPRVHGQY-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507948 400172131 /nfs/dbraw/zinc/17/21/31/400172131.db2.gz SCCLGTRPRVHGQY-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP CC[NH2+]CCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591577189 400541185 /nfs/dbraw/zinc/54/11/85/400541185.db2.gz YNZUYYRWFJBAMR-GOSISDBHSA-N 2 2 313.401 3.273 20 5 DGBDLP CC[C@H](C)[N@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038341 400934113 /nfs/dbraw/zinc/93/41/13/400934113.db2.gz OZNZWLXUHHYJQV-LBPRGKRZSA-N 2 2 302.378 3.285 20 5 DGBDLP CC[C@H](C)[N@@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038341 400934115 /nfs/dbraw/zinc/93/41/15/400934115.db2.gz OZNZWLXUHHYJQV-LBPRGKRZSA-N 2 2 302.378 3.285 20 5 DGBDLP C[N@@H+]1CCCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599142300 400974432 /nfs/dbraw/zinc/97/44/32/400974432.db2.gz SVWQUNQMHVPXGX-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599142300 400974437 /nfs/dbraw/zinc/97/44/37/400974437.db2.gz SVWQUNQMHVPXGX-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000594496147 401079708 /nfs/dbraw/zinc/07/97/08/401079708.db2.gz ILMLZJGXZPJWAK-OAHLLOKOSA-N 2 2 312.373 3.069 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263951 /nfs/dbraw/zinc/26/39/51/265263951.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263955 /nfs/dbraw/zinc/26/39/55/265263955.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263960 /nfs/dbraw/zinc/26/39/60/265263960.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011376 265263962 /nfs/dbraw/zinc/26/39/62/265263962.db2.gz WSAYKPFNFGQBPS-CRAIPNDOSA-N 2 2 317.433 3.244 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836314 431500883 /nfs/dbraw/zinc/50/08/83/431500883.db2.gz GTLOBMDTWFOGGH-INIZCTEOSA-N 2 2 317.433 3.211 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836314 431500891 /nfs/dbraw/zinc/50/08/91/431500891.db2.gz GTLOBMDTWFOGGH-INIZCTEOSA-N 2 2 317.433 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271190598 432348894 /nfs/dbraw/zinc/34/88/94/432348894.db2.gz MELBNLOZVQHPCB-HWKANZROSA-N 2 2 312.373 3.211 20 5 DGBDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525461 432415491 /nfs/dbraw/zinc/41/54/91/432415491.db2.gz RCHAAZAQDUSULM-UEKVPHQBSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525461 432415503 /nfs/dbraw/zinc/41/55/03/432415503.db2.gz RCHAAZAQDUSULM-UEKVPHQBSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827721 433865653 /nfs/dbraw/zinc/86/56/53/433865653.db2.gz HOYVEPHKBPGQEQ-RHSMWYFYSA-N 2 2 313.401 3.206 20 5 DGBDLP CCc1ccc([C@@H]([NH2+]CCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423197908 434280100 /nfs/dbraw/zinc/28/01/00/434280100.db2.gz BXGYDHVFFDGMDA-KRWDZBQOSA-N 2 2 317.389 3.039 20 5 DGBDLP [NH3+][C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238832 434306207 /nfs/dbraw/zinc/30/62/07/434306207.db2.gz JOXQONQIXUMZIW-ZWKOTPCHSA-N 2 2 311.385 3.262 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451065 /nfs/dbraw/zinc/45/10/65/434451065.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451075 /nfs/dbraw/zinc/45/10/75/434451075.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451082 /nfs/dbraw/zinc/45/10/82/434451082.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 2 2 317.433 3.246 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366571590 434451090 /nfs/dbraw/zinc/45/10/90/434451090.db2.gz XVIFLMPACYDIAE-SFHVURJKSA-N 2 2 317.433 3.246 20 5 DGBDLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301196 435073330 /nfs/dbraw/zinc/07/33/30/435073330.db2.gz LHUWOAHANUNIMT-GUYCJALGSA-N 2 2 317.433 3.249 20 5 DGBDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301196 435073334 /nfs/dbraw/zinc/07/33/34/435073334.db2.gz LHUWOAHANUNIMT-GUYCJALGSA-N 2 2 317.433 3.249 20 5 DGBDLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240065 435152017 /nfs/dbraw/zinc/15/20/17/435152017.db2.gz GNVDNJUIJYJBFP-YOEHRIQHSA-N 2 2 305.422 3.367 20 5 DGBDLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240065 435152019 /nfs/dbraw/zinc/15/20/19/435152019.db2.gz GNVDNJUIJYJBFP-YOEHRIQHSA-N 2 2 305.422 3.367 20 5 DGBDLP Cc1c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842905 /nfs/dbraw/zinc/84/29/05/533842905.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842910 /nfs/dbraw/zinc/84/29/10/533842910.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842918 /nfs/dbraw/zinc/84/29/18/533842918.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000173959919 533842928 /nfs/dbraw/zinc/84/29/28/533842928.db2.gz WYHFKPDKJNVQKD-INIZCTEOSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156435810 525708691 /nfs/dbraw/zinc/70/86/91/525708691.db2.gz HIXWXGBXWYIPAP-CXAGYDPISA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156435810 525708697 /nfs/dbraw/zinc/70/86/97/525708697.db2.gz HIXWXGBXWYIPAP-CXAGYDPISA-N 2 2 314.389 3.183 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576837 528209789 /nfs/dbraw/zinc/20/97/89/528209789.db2.gz YHPZDASANNGOCX-INIZCTEOSA-N 2 2 323.437 3.187 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430576837 528209794 /nfs/dbraw/zinc/20/97/94/528209794.db2.gz YHPZDASANNGOCX-INIZCTEOSA-N 2 2 323.437 3.187 20 5 DGBDLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245472 619743730 /nfs/dbraw/zinc/74/37/30/619743730.db2.gz MIUIXSIOAVFBHA-QGPMSJSTSA-N 2 2 317.433 3.305 20 5 DGBDLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245472 619743731 /nfs/dbraw/zinc/74/37/31/619743731.db2.gz MIUIXSIOAVFBHA-QGPMSJSTSA-N 2 2 317.433 3.305 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000872021161 622755881 /nfs/dbraw/zinc/75/58/81/622755881.db2.gz NQOUHHSPEGVRIR-VXGBXAGGSA-N 2 2 320.418 3.253 20 5 DGBDLP Cc1c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133709 623044648 /nfs/dbraw/zinc/04/46/48/623044648.db2.gz UHOOPAKRUHEVQH-WBVHZDCISA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133709 623044657 /nfs/dbraw/zinc/04/46/57/623044657.db2.gz UHOOPAKRUHEVQH-WBVHZDCISA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620373 623662310 /nfs/dbraw/zinc/66/23/10/623662310.db2.gz MWKNGTZSMYBMQU-AWEZNQCLSA-N 2 2 314.389 3.314 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620373 623662315 /nfs/dbraw/zinc/66/23/15/623662315.db2.gz MWKNGTZSMYBMQU-AWEZNQCLSA-N 2 2 314.389 3.314 20 5 DGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705213 626939472 /nfs/dbraw/zinc/93/94/72/626939472.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705213 626939476 /nfs/dbraw/zinc/93/94/76/626939476.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705213 626939479 /nfs/dbraw/zinc/93/94/79/626939479.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705213 626939482 /nfs/dbraw/zinc/93/94/82/626939482.db2.gz QQEVPWVMJSYSNP-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000793335000 661025065 /nfs/dbraw/zinc/02/50/65/661025065.db2.gz AEFOHPDRQJFKIM-UHFFFAOYSA-N 2 2 323.824 3.355 20 5 DGBDLP C[N@H+](CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069953131 660031121 /nfs/dbraw/zinc/03/11/21/660031121.db2.gz MWKMFZWBIHZZLB-UHFFFAOYSA-N 2 2 305.422 3.339 20 5 DGBDLP C[N@@H+](CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069953131 660031123 /nfs/dbraw/zinc/03/11/23/660031123.db2.gz MWKMFZWBIHZZLB-UHFFFAOYSA-N 2 2 305.422 3.339 20 5 DGBDLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC001474223285 1183885604 /nfs/dbraw/zinc/88/56/04/1183885604.db2.gz FKOVZVBENKMKSH-ZDUSSCGKSA-N 2 2 317.389 3.285 20 5 DGBDLP Cc1c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC001620747706 1193797557 /nfs/dbraw/zinc/79/75/57/1193797557.db2.gz SAYBJHKRQYXOGU-UHFFFAOYSA-N 2 2 322.368 3.379 20 5 DGBDLP [NH3+][C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177006 1100016040 /nfs/dbraw/zinc/01/60/40/1100016040.db2.gz VVWKTZVPFHQDOJ-FQEVSTJZSA-N 2 2 318.420 3.153 20 5 DGBDLP [NH3+][C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177006 1100016045 /nfs/dbraw/zinc/01/60/45/1100016045.db2.gz VVWKTZVPFHQDOJ-FQEVSTJZSA-N 2 2 318.420 3.153 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779161 432132656 /nfs/dbraw/zinc/13/26/56/432132656.db2.gz PFFGSZGFPMNMKF-JLJPHGGASA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779161 432132659 /nfs/dbraw/zinc/13/26/59/432132659.db2.gz PFFGSZGFPMNMKF-JLJPHGGASA-N 2 2 303.406 3.181 20 5 DGBDLP O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000269053626 207201847 /nfs/dbraw/zinc/20/18/47/207201847.db2.gz UVEKZJMFIJUQLD-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Cl ZINC000269053626 207201852 /nfs/dbraw/zinc/20/18/52/207201852.db2.gz UVEKZJMFIJUQLD-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157365784 197181970 /nfs/dbraw/zinc/18/19/70/197181970.db2.gz FFOQAKXCGLSHSE-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157365784 197181972 /nfs/dbraw/zinc/18/19/72/197181972.db2.gz FFOQAKXCGLSHSE-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000344792533 254306039 /nfs/dbraw/zinc/30/60/39/254306039.db2.gz KRNLQFLZVQQPRL-UVTDQMKNSA-N 2 2 303.406 3.072 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092072092 400152129 /nfs/dbraw/zinc/15/21/29/400152129.db2.gz LQJJZDCFGNPKHU-AWEZNQCLSA-N 2 2 300.362 3.006 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000092072092 400152133 /nfs/dbraw/zinc/15/21/33/400152133.db2.gz LQJJZDCFGNPKHU-AWEZNQCLSA-N 2 2 300.362 3.006 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004752 400626413 /nfs/dbraw/zinc/62/64/13/400626413.db2.gz UNRPCGILSXIUFP-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004752 400626415 /nfs/dbraw/zinc/62/64/15/400626415.db2.gz UNRPCGILSXIUFP-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000156282464 400709693 /nfs/dbraw/zinc/70/96/93/400709693.db2.gz LOKZEIPUYSDZFB-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062851 400944171 /nfs/dbraw/zinc/94/41/71/400944171.db2.gz VPOBUDASBSSWSZ-DGCLKSJQSA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062851 400944179 /nfs/dbraw/zinc/94/41/79/400944179.db2.gz VPOBUDASBSSWSZ-DGCLKSJQSA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000599039611 400934008 /nfs/dbraw/zinc/93/40/08/400934008.db2.gz BWEDFWMFAKFSIG-NSHDSACASA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000599039611 400934011 /nfs/dbraw/zinc/93/40/11/400934011.db2.gz BWEDFWMFAKFSIG-NSHDSACASA-N 2 2 300.362 3.038 20 5 DGBDLP CCC(CC)[NH2+]CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599097085 400958178 /nfs/dbraw/zinc/95/81/78/400958178.db2.gz FZMZUIASTBTHSV-UHFFFAOYSA-N 2 2 302.378 3.333 20 5 DGBDLP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599099003 400960177 /nfs/dbraw/zinc/96/01/77/400960177.db2.gz QQDNERAXIMHCAQ-CYBMUJFWSA-N 2 2 314.389 3.428 20 5 DGBDLP CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599099003 400960184 /nfs/dbraw/zinc/96/01/84/400960184.db2.gz QQDNERAXIMHCAQ-CYBMUJFWSA-N 2 2 314.389 3.428 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000595004335 401225992 /nfs/dbraw/zinc/22/59/92/401225992.db2.gz PGHKTVOTKOUEAH-CQSZACIVSA-N 2 2 321.421 3.130 20 5 DGBDLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347072574 264151998 /nfs/dbraw/zinc/15/19/98/264151998.db2.gz RDGLPLCBYDSUAL-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+](C)C ZINC000348293491 264384040 /nfs/dbraw/zinc/38/40/40/264384040.db2.gz PICPNSQTEZESBR-OLZOCXBDSA-N 2 2 311.451 3.005 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+](C)C ZINC000348293489 264384212 /nfs/dbraw/zinc/38/42/12/264384212.db2.gz PICPNSQTEZESBR-CHWSQXEVSA-N 2 2 311.451 3.005 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494901 265070107 /nfs/dbraw/zinc/07/01/07/265070107.db2.gz GRVOIQKEBKBRQG-HNNXBMFYSA-N 2 2 321.421 3.085 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352494901 265070108 /nfs/dbraw/zinc/07/01/08/265070108.db2.gz GRVOIQKEBKBRQG-HNNXBMFYSA-N 2 2 321.421 3.085 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000278222875 275038452 /nfs/dbraw/zinc/03/84/52/275038452.db2.gz JFVSQYDKXNJGFC-KURKYZTESA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000278222875 275038453 /nfs/dbraw/zinc/03/84/53/275038453.db2.gz JFVSQYDKXNJGFC-KURKYZTESA-N 2 2 315.417 3.189 20 5 DGBDLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864776 276272302 /nfs/dbraw/zinc/27/23/02/276272302.db2.gz FTHOJMZCTGHCRK-GOEBONIOSA-N 2 2 314.389 3.237 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292921 /nfs/dbraw/zinc/29/29/21/432292921.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292925 /nfs/dbraw/zinc/29/29/25/432292925.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292928 /nfs/dbraw/zinc/29/29/28/432292928.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000248439129 432292934 /nfs/dbraw/zinc/29/29/34/432292934.db2.gz UBIQHOLNJAJIGU-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663864 432385616 /nfs/dbraw/zinc/38/56/16/432385616.db2.gz JKVGQHSLTMAJRD-CKEIUWERSA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252663864 432385619 /nfs/dbraw/zinc/38/56/19/432385619.db2.gz JKVGQHSLTMAJRD-CKEIUWERSA-N 2 2 314.389 3.435 20 5 DGBDLP CC[NH+](CC)CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413102188 433259641 /nfs/dbraw/zinc/25/96/41/433259641.db2.gz VFQILBGNURMWQM-UHFFFAOYSA-N 2 2 316.405 3.677 20 5 DGBDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085554 434108366 /nfs/dbraw/zinc/10/83/66/434108366.db2.gz SYRZNXYZCMTMDS-LBPRGKRZSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085554 434108379 /nfs/dbraw/zinc/10/83/79/434108379.db2.gz SYRZNXYZCMTMDS-LBPRGKRZSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085553 434109072 /nfs/dbraw/zinc/10/90/72/434109072.db2.gz SYRZNXYZCMTMDS-GFCCVEGCSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000346085553 434109079 /nfs/dbraw/zinc/10/90/79/434109079.db2.gz SYRZNXYZCMTMDS-GFCCVEGCSA-N 2 2 317.414 3.246 20 5 DGBDLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423225742 434294071 /nfs/dbraw/zinc/29/40/71/434294071.db2.gz OASWUQANWLIFGS-NSHDSACASA-N 2 2 305.403 3.193 20 5 DGBDLP CCc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423225612 434294724 /nfs/dbraw/zinc/29/47/24/434294724.db2.gz NLZBTELXVGBDCR-YVEFUNNKSA-N 2 2 317.389 3.167 20 5 DGBDLP COc1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)cc1[N+](=O)[O-] ZINC000354213375 434672470 /nfs/dbraw/zinc/67/24/70/434672470.db2.gz XDFPWYJKSBLIAL-UHFFFAOYSA-N 2 2 315.373 3.029 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532542188 435174963 /nfs/dbraw/zinc/17/49/63/435174963.db2.gz VOTOADDVKLHCAY-GDZNZVCISA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532542188 435174966 /nfs/dbraw/zinc/17/49/66/435174966.db2.gz VOTOADDVKLHCAY-GDZNZVCISA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000387326253 323644585 /nfs/dbraw/zinc/64/45/85/323644585.db2.gz SDUDOZTYXYJYEQ-CQSZACIVSA-N 2 2 302.378 3.231 20 5 DGBDLP CC[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094806 529050508 /nfs/dbraw/zinc/05/05/08/529050508.db2.gz QVPQJJJNTDZODY-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094806 529050518 /nfs/dbraw/zinc/05/05/18/529050518.db2.gz QVPQJJJNTDZODY-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648827 535488104 /nfs/dbraw/zinc/48/81/04/535488104.db2.gz MZRCYEXJNGIXNV-VHUCWBOISA-N 2 2 317.433 3.462 20 5 DGBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648827 535488111 /nfs/dbraw/zinc/48/81/11/535488111.db2.gz MZRCYEXJNGIXNV-VHUCWBOISA-N 2 2 317.433 3.462 20 5 DGBDLP CCC[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761526261 622014641 /nfs/dbraw/zinc/01/46/41/622014641.db2.gz IWYNTLOSAXTBNX-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000872028936 622762022 /nfs/dbraw/zinc/76/20/22/622762022.db2.gz NPGPFRHLKULAST-NWDGAFQWSA-N 2 2 311.451 3.308 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Cl ZINC000783599030 624373266 /nfs/dbraw/zinc/37/32/66/624373266.db2.gz TZBFXJQCYRRQDC-UHFFFAOYSA-N 2 2 308.769 3.015 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354401 656213394 /nfs/dbraw/zinc/21/33/94/656213394.db2.gz KRDHNKQWOYYKPC-CQSZACIVSA-N 2 2 305.422 3.380 20 5 DGBDLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001576390444 1191581545 /nfs/dbraw/zinc/58/15/45/1191581545.db2.gz OAXKBMNNEVYHMA-YUELXQCFSA-N 2 2 323.824 3.114 20 5 DGBDLP C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC001205390588 1091208926 /nfs/dbraw/zinc/20/89/26/1091208926.db2.gz BHPWJKSZNXPLMQ-ZDUSSCGKSA-N 2 2 309.385 3.088 20 5 DGBDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898645 1097267621 /nfs/dbraw/zinc/26/76/21/1097267621.db2.gz IGDDAAKZNJUVTG-QGZVFWFLSA-N 2 2 319.449 3.164 20 5 DGBDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898645 1097267627 /nfs/dbraw/zinc/26/76/27/1097267627.db2.gz IGDDAAKZNJUVTG-QGZVFWFLSA-N 2 2 319.449 3.164 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070291 1097937426 /nfs/dbraw/zinc/93/74/26/1097937426.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070291 1097937432 /nfs/dbraw/zinc/93/74/32/1097937432.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070291 1097937435 /nfs/dbraw/zinc/93/74/35/1097937435.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070291 1097937440 /nfs/dbraw/zinc/93/74/40/1097937440.db2.gz PYOIDWKHIRSQJZ-JCGIZDLHSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1c(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cccc1[N+](=O)[O-] ZINC001308166239 1111387796 /nfs/dbraw/zinc/38/77/96/1111387796.db2.gz IVSNFJKXSMOGSO-UHFFFAOYSA-N 2 2 314.389 3.016 20 5 DGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415063915 529611956 /nfs/dbraw/zinc/61/19/56/529611956.db2.gz JCVZDQZUPPXBSV-AWEZNQCLSA-N 2 2 305.403 3.008 20 5 DGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389244 238298042 /nfs/dbraw/zinc/29/80/42/238298042.db2.gz LNCXRLNOOFKAGD-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435389244 238298045 /nfs/dbraw/zinc/29/80/45/238298045.db2.gz LNCXRLNOOFKAGD-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133399 240032959 /nfs/dbraw/zinc/03/29/59/240032959.db2.gz YHTMOISIRQVIAU-HOCLYGCPSA-N 2 2 307.438 3.092 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141596 /nfs/dbraw/zinc/14/15/96/284141596.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141600 /nfs/dbraw/zinc/14/16/00/284141600.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141603 /nfs/dbraw/zinc/14/16/03/284141603.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000119359907 284141607 /nfs/dbraw/zinc/14/16/07/284141607.db2.gz NKUJGQYPMXWKQL-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597136 193272746 /nfs/dbraw/zinc/27/27/46/193272746.db2.gz PDHZADZMBHZKCB-YERXGYGTSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597136 193272748 /nfs/dbraw/zinc/27/27/48/193272748.db2.gz PDHZADZMBHZKCB-YERXGYGTSA-N 2 2 315.417 3.026 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000344792530 254305741 /nfs/dbraw/zinc/30/57/41/254305741.db2.gz KRNLQFLZVQQPRL-GXDHUFHOSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000344816338 254307999 /nfs/dbraw/zinc/30/79/99/254307999.db2.gz CRMVOYCONJLYTM-OWTLUSIOSA-N 2 2 314.389 3.121 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000344858556 254311095 /nfs/dbraw/zinc/31/10/95/254311095.db2.gz OQXMVMBZOJKLAJ-KADHNRKRSA-N 2 2 303.406 3.070 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000344858556 254311096 /nfs/dbraw/zinc/31/10/96/254311096.db2.gz OQXMVMBZOJKLAJ-KADHNRKRSA-N 2 2 303.406 3.070 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861816 254311619 /nfs/dbraw/zinc/31/16/19/254311619.db2.gz KADQQUMLGAKRNV-IDKBZEPQSA-N 2 2 303.406 3.072 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861816 254311620 /nfs/dbraw/zinc/31/16/20/254311620.db2.gz KADQQUMLGAKRNV-IDKBZEPQSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155929 533663743 /nfs/dbraw/zinc/66/37/43/533663743.db2.gz DGLSXEGIYUEDBE-YPMHNXCESA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155929 533663748 /nfs/dbraw/zinc/66/37/48/533663748.db2.gz DGLSXEGIYUEDBE-YPMHNXCESA-N 2 2 300.362 3.038 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132769 /nfs/dbraw/zinc/13/27/69/400132769.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132770 /nfs/dbraw/zinc/13/27/70/400132770.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132771 /nfs/dbraw/zinc/13/27/71/400132771.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595346474 400132773 /nfs/dbraw/zinc/13/27/73/400132773.db2.gz JJYHIXORTYOBPN-SWLSCSKDSA-N 2 2 309.385 3.039 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609705003 400187399 /nfs/dbraw/zinc/18/73/99/400187399.db2.gz DPEOKMIVQLCCCD-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609705003 400187402 /nfs/dbraw/zinc/18/74/02/400187402.db2.gz DPEOKMIVQLCCCD-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611516003 400414544 /nfs/dbraw/zinc/41/45/44/400414544.db2.gz YZTQXRBJHYUHIM-ZBFHGGJFSA-N 2 2 314.389 3.498 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611516003 400414548 /nfs/dbraw/zinc/41/45/48/400414548.db2.gz YZTQXRBJHYUHIM-ZBFHGGJFSA-N 2 2 314.389 3.498 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578079 400541605 /nfs/dbraw/zinc/54/16/05/400541605.db2.gz WFMMNBHJMVUHAO-KBPBESRZSA-N 2 2 323.462 3.197 20 5 DGBDLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138250 400569032 /nfs/dbraw/zinc/56/90/32/400569032.db2.gz NOWMAHCLYVJORN-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1C ZINC000597138250 400569036 /nfs/dbraw/zinc/56/90/36/400569036.db2.gz NOWMAHCLYVJORN-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861338 400615345 /nfs/dbraw/zinc/61/53/45/400615345.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861338 400615353 /nfs/dbraw/zinc/61/53/53/400615353.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861338 400615356 /nfs/dbraw/zinc/61/53/56/400615356.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861338 400615358 /nfs/dbraw/zinc/61/53/58/400615358.db2.gz MSOZICYDOJJXBM-CABCVRRESA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051690 400939308 /nfs/dbraw/zinc/93/93/08/400939308.db2.gz WAVUAUSDNUWFDH-AAEUAGOBSA-N 2 2 300.362 3.038 20 5 DGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598997449 400924026 /nfs/dbraw/zinc/92/40/26/400924026.db2.gz BOLHVBRTHHNINT-QGZVFWFLSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000598997449 400924032 /nfs/dbraw/zinc/92/40/32/400924032.db2.gz BOLHVBRTHHNINT-QGZVFWFLSA-N 2 2 303.406 3.010 20 5 DGBDLP CC[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000599022571 400929846 /nfs/dbraw/zinc/92/98/46/400929846.db2.gz RKFXNOLFGYTVJL-CQSZACIVSA-N 2 2 314.389 3.429 20 5 DGBDLP CC(C)[NH2+][C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599036864 400934161 /nfs/dbraw/zinc/93/41/61/400934161.db2.gz XBPLLOILXRYBKV-CQSZACIVSA-N 2 2 314.389 3.110 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000615724271 401143995 /nfs/dbraw/zinc/14/39/95/401143995.db2.gz WPKAIMXUDWBJEF-ZGUWOUCSSA-N 2 2 315.417 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724271 401143999 /nfs/dbraw/zinc/14/39/99/401143999.db2.gz WPKAIMXUDWBJEF-ZGUWOUCSSA-N 2 2 315.417 3.072 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000595013497 401232287 /nfs/dbraw/zinc/23/22/87/401232287.db2.gz IUMLDTQZZWHLGB-ZDUSSCGKSA-N 2 2 321.421 3.127 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182356789 432181522 /nfs/dbraw/zinc/18/15/22/432181522.db2.gz JVGUQLAFPODDGS-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182356789 432181532 /nfs/dbraw/zinc/18/15/32/432181532.db2.gz JVGUQLAFPODDGS-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155926 230141394 /nfs/dbraw/zinc/14/13/94/230141394.db2.gz DGLSXEGIYUEDBE-WCQYABFASA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155926 230141396 /nfs/dbraw/zinc/14/13/96/230141396.db2.gz DGLSXEGIYUEDBE-WCQYABFASA-N 2 2 300.362 3.038 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174541 230145040 /nfs/dbraw/zinc/14/50/40/230145040.db2.gz QGDYAYVWFICQFD-ZIAGYGMSSA-N 2 2 314.389 3.428 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170113 264168765 /nfs/dbraw/zinc/16/87/65/264168765.db2.gz MYVRHDIHNAYTST-OAHLLOKOSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170113 264168767 /nfs/dbraw/zinc/16/87/67/264168767.db2.gz MYVRHDIHNAYTST-OAHLLOKOSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258793 /nfs/dbraw/zinc/25/87/93/432258793.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258796 /nfs/dbraw/zinc/25/87/96/432258796.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258800 /nfs/dbraw/zinc/25/88/00/432258800.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983792 432258803 /nfs/dbraw/zinc/25/88/03/432258803.db2.gz IPYBFIVIMJFHHI-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342088 277064585 /nfs/dbraw/zinc/06/45/85/277064585.db2.gz OUJMEYGYRPPNPI-WBVHZDCISA-N 2 2 303.406 3.046 20 5 DGBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342088 277064587 /nfs/dbraw/zinc/06/45/87/277064587.db2.gz OUJMEYGYRPPNPI-WBVHZDCISA-N 2 2 303.406 3.046 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000077221007 431576337 /nfs/dbraw/zinc/57/63/37/431576337.db2.gz PFDHDXFXWFSKHG-UHFFFAOYSA-N 2 2 308.341 3.070 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125513862 431928658 /nfs/dbraw/zinc/92/86/58/431928658.db2.gz SDQWQKUAJLFONZ-OAHLLOKOSA-N 2 2 305.422 3.102 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000125513862 431928660 /nfs/dbraw/zinc/92/86/60/431928660.db2.gz SDQWQKUAJLFONZ-OAHLLOKOSA-N 2 2 305.422 3.102 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271353481 432379641 /nfs/dbraw/zinc/37/96/41/432379641.db2.gz YUSOYPDUHVAJPW-CKEIUWERSA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525454 432415067 /nfs/dbraw/zinc/41/50/67/432415067.db2.gz RCHAAZAQDUSULM-JRPNMDOOSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525454 432415069 /nfs/dbraw/zinc/41/50/69/432415069.db2.gz RCHAAZAQDUSULM-JRPNMDOOSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041006 432470183 /nfs/dbraw/zinc/47/01/83/432470183.db2.gz PBYBVLMHOABLDL-RISCZKNCSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1[NH3+] ZINC000262041006 432470189 /nfs/dbraw/zinc/47/01/89/432470189.db2.gz PBYBVLMHOABLDL-RISCZKNCSA-N 2 2 317.414 3.102 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607017 432771158 /nfs/dbraw/zinc/77/11/58/432771158.db2.gz UNRPCGILSXIUFP-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266607017 432771161 /nfs/dbraw/zinc/77/11/61/432771161.db2.gz UNRPCGILSXIUFP-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266755631 432785534 /nfs/dbraw/zinc/78/55/34/432785534.db2.gz OZBMIQVOJYKKRY-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266383 433702321 /nfs/dbraw/zinc/70/23/21/433702321.db2.gz WKADJBVLAMASDH-HNNXBMFYSA-N 2 2 321.396 3.042 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266383 433702325 /nfs/dbraw/zinc/70/23/25/433702325.db2.gz WKADJBVLAMASDH-HNNXBMFYSA-N 2 2 321.396 3.042 20 5 DGBDLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414799315 433845024 /nfs/dbraw/zinc/84/50/24/433845024.db2.gz GTIWTJMUAVSBIL-UHFFFAOYSA-N 2 2 317.389 3.462 20 5 DGBDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000433229407 433846031 /nfs/dbraw/zinc/84/60/31/433846031.db2.gz RDSMPRQXZZDQBH-CSMYWGQOSA-N 2 2 317.433 3.390 20 5 DGBDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000433229407 433846040 /nfs/dbraw/zinc/84/60/40/433846040.db2.gz RDSMPRQXZZDQBH-CSMYWGQOSA-N 2 2 317.433 3.390 20 5 DGBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414812375 433851864 /nfs/dbraw/zinc/85/18/64/433851864.db2.gz KVUPKVVPSMCMES-CQSZACIVSA-N 2 2 317.389 3.462 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827719 433867729 /nfs/dbraw/zinc/86/77/29/433867729.db2.gz HOYVEPHKBPGQEQ-PBHICJAKSA-N 2 2 313.401 3.206 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000414853340 433880830 /nfs/dbraw/zinc/88/08/30/433880830.db2.gz XOJVPNXWGSMBAQ-LBPRGKRZSA-N 2 2 317.414 3.165 20 5 DGBDLP CCc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423225610 434293369 /nfs/dbraw/zinc/29/33/69/434293369.db2.gz NLZBTELXVGBDCR-SJCJKPOMSA-N 2 2 317.389 3.167 20 5 DGBDLP Cc1c([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401274 434406078 /nfs/dbraw/zinc/40/60/78/434406078.db2.gz XNQAMMYPKZEAMU-BBRMVZONSA-N 2 2 305.422 3.332 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410329 434434711 /nfs/dbraw/zinc/43/47/11/434434711.db2.gz QQAPDMXTIIKPFJ-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410329 434434715 /nfs/dbraw/zinc/43/47/15/434434715.db2.gz QQAPDMXTIIKPFJ-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+](C)CC ZINC000349249973 434648756 /nfs/dbraw/zinc/64/87/56/434648756.db2.gz WWCGIAAKPBDZKP-ZDUSSCGKSA-N 2 2 311.451 3.007 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+](C)CC ZINC000349249973 434648760 /nfs/dbraw/zinc/64/87/60/434648760.db2.gz WWCGIAAKPBDZKP-ZDUSSCGKSA-N 2 2 311.451 3.007 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000491928395 434884186 /nfs/dbraw/zinc/88/41/86/434884186.db2.gz FOKZNJXVHXGXHB-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000491928395 434884191 /nfs/dbraw/zinc/88/41/91/434884191.db2.gz FOKZNJXVHXGXHB-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415044071 527792202 /nfs/dbraw/zinc/79/22/02/527792202.db2.gz RZLYNUVDWFBUNZ-INIZCTEOSA-N 2 2 315.373 3.085 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891785 618393635 /nfs/dbraw/zinc/39/36/35/618393635.db2.gz KGDYYXIJOOEUJS-XYPHTWIQSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891785 618393641 /nfs/dbraw/zinc/39/36/41/618393641.db2.gz KGDYYXIJOOEUJS-XYPHTWIQSA-N 2 2 303.406 3.262 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000904451525 619923603 /nfs/dbraw/zinc/92/36/03/619923603.db2.gz YVPIPOMOSVBWKQ-UHFFFAOYSA-N 2 2 321.764 3.089 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246073 621167819 /nfs/dbraw/zinc/16/78/19/621167819.db2.gz TXMDBOPHERMDTQ-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246073 621167822 /nfs/dbraw/zinc/16/78/22/621167822.db2.gz TXMDBOPHERMDTQ-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876765947 623701417 /nfs/dbraw/zinc/70/14/17/623701417.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876765947 623701420 /nfs/dbraw/zinc/70/14/20/623701420.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000876765947 623701424 /nfs/dbraw/zinc/70/14/24/623701424.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000876765947 623701426 /nfs/dbraw/zinc/70/14/26/623701426.db2.gz XMRDOEWFIAXMQF-HIFRSBDPSA-N 2 2 305.422 3.126 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000783597385 624373332 /nfs/dbraw/zinc/37/33/32/624373332.db2.gz KAYDPYFCTMLRAZ-UHFFFAOYSA-N 2 2 323.824 3.355 20 5 DGBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798958513 626263296 /nfs/dbraw/zinc/26/32/96/626263296.db2.gz ZPZPSUORSGDEEF-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798958513 626263297 /nfs/dbraw/zinc/26/32/97/626263297.db2.gz ZPZPSUORSGDEEF-UHFFFAOYSA-N 2 2 311.813 3.166 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407357 /nfs/dbraw/zinc/40/73/57/626407357.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407358 /nfs/dbraw/zinc/40/73/58/626407358.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407360 /nfs/dbraw/zinc/40/73/60/626407360.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519397 626407361 /nfs/dbraw/zinc/40/73/61/626407361.db2.gz NDTYGDYVWNHLSV-TZMCWYRMSA-N 2 2 309.385 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089534 630406882 /nfs/dbraw/zinc/40/68/82/630406882.db2.gz ODTOQVZYQOQWCP-LBPRGKRZSA-N 2 2 309.797 3.013 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001335836749 1178961882 /nfs/dbraw/zinc/96/18/82/1178961882.db2.gz FQENQRBLFZHBLG-CYBMUJFWSA-N 2 2 323.462 3.453 20 5 DGBDLP C[NH2+][C@@H](C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122366 1095938164 /nfs/dbraw/zinc/93/81/64/1095938164.db2.gz VCBCZOPBEQGEHT-KSSFIOAISA-N 2 2 313.401 3.272 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615876 1104630117 /nfs/dbraw/zinc/63/01/17/1104630117.db2.gz UCXFCPHMNFCDTJ-CRAIPNDOSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246615876 1104630122 /nfs/dbraw/zinc/63/01/22/1104630122.db2.gz UCXFCPHMNFCDTJ-CRAIPNDOSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167903 1111388673 /nfs/dbraw/zinc/38/86/73/1111388673.db2.gz XSIOWXGOOBNYDQ-CYBMUJFWSA-N 2 2 314.389 3.269 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000174856285 198394432 /nfs/dbraw/zinc/39/44/32/198394432.db2.gz FHIBFCTXDQKESP-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293948 /nfs/dbraw/zinc/29/39/48/192293948.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293951 /nfs/dbraw/zinc/29/39/51/192293951.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293953 /nfs/dbraw/zinc/29/39/53/192293953.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568990 192293955 /nfs/dbraw/zinc/29/39/55/192293955.db2.gz NZNKRMGOIRMGCF-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP C[N@H+](CCC[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000237087733 202147994 /nfs/dbraw/zinc/14/79/94/202147994.db2.gz QACFSPCDMMVAMF-UHFFFAOYSA-N 2 2 319.430 3.268 20 5 DGBDLP C[N@@H+](CCC[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000237087733 202147998 /nfs/dbraw/zinc/14/79/98/202147998.db2.gz QACFSPCDMMVAMF-UHFFFAOYSA-N 2 2 319.430 3.268 20 5 DGBDLP Cc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285581 /nfs/dbraw/zinc/28/55/81/193285581.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285582 /nfs/dbraw/zinc/28/55/82/193285582.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285583 /nfs/dbraw/zinc/28/55/83/193285583.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP Cc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000093659989 193285584 /nfs/dbraw/zinc/28/55/84/193285584.db2.gz CTSWSKPFAHRGDT-MRXNPFEDSA-N 2 2 305.422 3.209 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356939 296240139 /nfs/dbraw/zinc/24/01/39/296240139.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356939 296240140 /nfs/dbraw/zinc/24/01/40/296240140.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356939 296240141 /nfs/dbraw/zinc/24/01/41/296240141.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441356939 296240142 /nfs/dbraw/zinc/24/01/42/296240142.db2.gz MSOZICYDOJJXBM-LSDHHAIUSA-N 2 2 305.422 3.462 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000470200598 533383230 /nfs/dbraw/zinc/38/32/30/533383230.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000470200598 533383234 /nfs/dbraw/zinc/38/32/34/533383234.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000470200598 533383237 /nfs/dbraw/zinc/38/32/37/533383237.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000470200598 533383241 /nfs/dbraw/zinc/38/32/41/533383241.db2.gz CADBISOUQFWTIP-FHYOKYKPSA-N 2 2 315.417 3.024 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131917 /nfs/dbraw/zinc/13/19/17/400131917.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131925 /nfs/dbraw/zinc/13/19/25/400131925.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131926 /nfs/dbraw/zinc/13/19/26/400131926.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346470 400131934 /nfs/dbraw/zinc/13/19/34/400131934.db2.gz JJYHIXORTYOBPN-DOMZBBRYSA-N 2 2 309.385 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611782103 400452823 /nfs/dbraw/zinc/45/28/23/400452823.db2.gz MRFRTEJYSZXJPL-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000611782103 400452830 /nfs/dbraw/zinc/45/28/30/400452830.db2.gz MRFRTEJYSZXJPL-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000151881456 400676483 /nfs/dbraw/zinc/67/64/83/400676483.db2.gz HBFQPDGXSWPKGT-JKSUJKDBSA-N 2 2 319.449 3.380 20 5 DGBDLP C[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051693 400940308 /nfs/dbraw/zinc/94/03/08/400940308.db2.gz WAVUAUSDNUWFDH-YPMHNXCESA-N 2 2 300.362 3.038 20 5 DGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993390 400923455 /nfs/dbraw/zinc/92/34/55/400923455.db2.gz AWLMXQMWTAMXNV-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993390 400923458 /nfs/dbraw/zinc/92/34/58/400923458.db2.gz AWLMXQMWTAMXNV-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[NH+](C)CC(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599017485 400927412 /nfs/dbraw/zinc/92/74/12/400927412.db2.gz XTCUGSPRIBKGAJ-UHFFFAOYSA-N 2 2 302.378 3.143 20 5 DGBDLP CCC[N@@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110231 400961774 /nfs/dbraw/zinc/96/17/74/400961774.db2.gz MGLQDKJCIINEAR-CYBMUJFWSA-N 2 2 300.362 3.039 20 5 DGBDLP CCC[N@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110231 400961779 /nfs/dbraw/zinc/96/17/79/400961779.db2.gz MGLQDKJCIINEAR-CYBMUJFWSA-N 2 2 300.362 3.039 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000615724217 401143497 /nfs/dbraw/zinc/14/34/97/401143497.db2.gz WPKAIMXUDWBJEF-CRPZLVSXSA-N 2 2 315.417 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724217 401143505 /nfs/dbraw/zinc/14/35/05/401143505.db2.gz WPKAIMXUDWBJEF-CRPZLVSXSA-N 2 2 315.417 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955922 401207499 /nfs/dbraw/zinc/20/74/99/401207499.db2.gz HJPULEPYGSVIEK-DNXIFWLFSA-N 2 2 317.433 3.461 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594955922 401207502 /nfs/dbraw/zinc/20/75/02/401207502.db2.gz HJPULEPYGSVIEK-DNXIFWLFSA-N 2 2 317.433 3.461 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534344 287152591 /nfs/dbraw/zinc/15/25/91/287152591.db2.gz NGAKHMFSJFXASB-GJZGRUSLSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266534344 287152592 /nfs/dbraw/zinc/15/25/92/287152592.db2.gz NGAKHMFSJFXASB-GJZGRUSLSA-N 2 2 303.406 3.074 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170321 /nfs/dbraw/zinc/17/03/21/432170321.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170326 /nfs/dbraw/zinc/17/03/26/432170326.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170330 /nfs/dbraw/zinc/17/03/30/432170330.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000182236999 432170332 /nfs/dbraw/zinc/17/03/32/432170332.db2.gz UBIQHOLNJAJIGU-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267456771 275035593 /nfs/dbraw/zinc/03/55/93/275035593.db2.gz TYWFMBZIYUEVTJ-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267456771 275035594 /nfs/dbraw/zinc/03/55/94/275035594.db2.gz TYWFMBZIYUEVTJ-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692934 276106058 /nfs/dbraw/zinc/10/60/58/276106058.db2.gz CTTHYIQGEDGHMJ-DYLHUKMJSA-N 2 2 317.433 3.272 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692934 276106061 /nfs/dbraw/zinc/10/60/61/276106061.db2.gz CTTHYIQGEDGHMJ-DYLHUKMJSA-N 2 2 317.433 3.272 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262298424 432479611 /nfs/dbraw/zinc/47/96/11/432479611.db2.gz OETFCVCTHIQBNN-ZDUSSCGKSA-N 2 2 303.406 3.120 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959735 432801797 /nfs/dbraw/zinc/80/17/97/432801797.db2.gz WGEUPPIMYDPWJW-GXTWGEPZSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959735 432801799 /nfs/dbraw/zinc/80/17/99/432801799.db2.gz WGEUPPIMYDPWJW-GXTWGEPZSA-N 2 2 300.362 3.259 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420290970 433150311 /nfs/dbraw/zinc/15/03/11/433150311.db2.gz MTTUXIVKDVUXRX-CQSZACIVSA-N 2 2 317.433 3.428 20 5 DGBDLP CC(C)([NH2+]CCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429238992 433775968 /nfs/dbraw/zinc/77/59/68/433775968.db2.gz SDDGPAQFNUIZFV-UHFFFAOYSA-N 2 2 305.422 3.296 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414827722 433867613 /nfs/dbraw/zinc/86/76/13/433867613.db2.gz HOYVEPHKBPGQEQ-WMLDXEAASA-N 2 2 313.401 3.206 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377963790 434046494 /nfs/dbraw/zinc/04/64/94/434046494.db2.gz VZDLMULUODPPHB-DZGCQCFKSA-N 2 2 314.389 3.328 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750333 434393693 /nfs/dbraw/zinc/39/36/93/434393693.db2.gz HRJYMOLRGBTPNQ-HOCLYGCPSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750333 434393697 /nfs/dbraw/zinc/39/36/97/434393697.db2.gz HRJYMOLRGBTPNQ-HOCLYGCPSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750333 434393708 /nfs/dbraw/zinc/39/37/08/434393708.db2.gz HRJYMOLRGBTPNQ-HOCLYGCPSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750333 434393715 /nfs/dbraw/zinc/39/37/15/434393715.db2.gz HRJYMOLRGBTPNQ-HOCLYGCPSA-N 2 2 305.422 3.208 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423506452 434466230 /nfs/dbraw/zinc/46/62/30/434466230.db2.gz HTOANJVOEIIKAR-JEBQAFNWSA-N 2 2 311.385 3.001 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245955 434649368 /nfs/dbraw/zinc/64/93/68/434649368.db2.gz IWYOEKGWFSDMCY-KCQAQPDRSA-N 2 2 321.421 3.127 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245955 434649371 /nfs/dbraw/zinc/64/93/71/434649371.db2.gz IWYOEKGWFSDMCY-KCQAQPDRSA-N 2 2 321.421 3.127 20 5 DGBDLP C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000413079262 534099010 /nfs/dbraw/zinc/09/90/10/534099010.db2.gz YSNNVXJEWNZMBO-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435390297 528796295 /nfs/dbraw/zinc/79/62/95/528796295.db2.gz AWOINZWKGZCVDK-CYBMUJFWSA-N 2 2 311.813 3.212 20 5 DGBDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435390297 528796298 /nfs/dbraw/zinc/79/62/98/528796298.db2.gz AWOINZWKGZCVDK-CYBMUJFWSA-N 2 2 311.813 3.212 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746655333 575466714 /nfs/dbraw/zinc/46/67/14/575466714.db2.gz OXDGFOZNCVDMFT-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746655333 575466715 /nfs/dbraw/zinc/46/67/15/575466715.db2.gz OXDGFOZNCVDMFT-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP C[C@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000895290441 618588832 /nfs/dbraw/zinc/58/88/32/618588832.db2.gz IQGMSQYBGDQEDF-SNVBAGLBSA-N 2 2 319.327 3.043 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245731 621167541 /nfs/dbraw/zinc/16/75/41/621167541.db2.gz WPUYMJGAWCDPRR-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000858245731 621167543 /nfs/dbraw/zinc/16/75/43/621167543.db2.gz WPUYMJGAWCDPRR-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087885 622798477 /nfs/dbraw/zinc/79/84/77/622798477.db2.gz LQOFNDHOBAAIAR-CHWSQXEVSA-N 2 2 309.385 3.116 20 5 DGBDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087885 622798481 /nfs/dbraw/zinc/79/84/81/622798481.db2.gz LQOFNDHOBAAIAR-CHWSQXEVSA-N 2 2 309.385 3.116 20 5 DGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000841039467 630400491 /nfs/dbraw/zinc/40/04/91/630400491.db2.gz QCGQIMCENNAQNV-CQSZACIVSA-N 2 2 311.813 3.245 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCCC1 ZINC000841042915 630401475 /nfs/dbraw/zinc/40/14/75/630401475.db2.gz LGLITVRFDIHQAX-UHFFFAOYSA-N 2 2 311.813 3.390 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088919 630406727 /nfs/dbraw/zinc/40/67/27/630406727.db2.gz FYUIRIRNRGZOSQ-ZDUSSCGKSA-N 2 2 309.797 3.013 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CC[NH3+] ZINC000844902883 630972867 /nfs/dbraw/zinc/97/28/67/630972867.db2.gz WEIZXEJAINZOLD-XHDPSFHLSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CC[NH3+] ZINC000844902883 630972871 /nfs/dbraw/zinc/97/28/71/630972871.db2.gz WEIZXEJAINZOLD-XHDPSFHLSA-N 2 2 311.813 3.198 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850439764 632153692 /nfs/dbraw/zinc/15/36/92/632153692.db2.gz OIAHQCQFOWWCFZ-IHRRRGAJSA-N 2 2 321.421 3.127 20 5 DGBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]([NH3+])CCC(C)(C)C ZINC001578481454 1191945663 /nfs/dbraw/zinc/94/56/63/1191945663.db2.gz VNXRUWIJRSNJSA-OAHLLOKOSA-N 2 2 307.438 3.223 20 5 DGBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]([NH3+])CCC(C)(C)C ZINC001578481454 1191945666 /nfs/dbraw/zinc/94/56/66/1191945666.db2.gz VNXRUWIJRSNJSA-OAHLLOKOSA-N 2 2 307.438 3.223 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615878 1104629555 /nfs/dbraw/zinc/62/95/55/1104629555.db2.gz UCXFCPHMNFCDTJ-QAPCUYQASA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615878 1104629559 /nfs/dbraw/zinc/62/95/59/1104629559.db2.gz UCXFCPHMNFCDTJ-QAPCUYQASA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653084 1104649408 /nfs/dbraw/zinc/64/94/08/1104649408.db2.gz QVWUPVHODGONHL-CRAIPNDOSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653084 1104649414 /nfs/dbraw/zinc/64/94/14/1104649414.db2.gz QVWUPVHODGONHL-CRAIPNDOSA-N 2 2 317.433 3.134 20 5 DGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237770073 202351180 /nfs/dbraw/zinc/35/11/80/202351180.db2.gz HAQDVPOESGAZNE-UHFFFAOYSA-N 2 2 316.386 3.104 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131114 205124579 /nfs/dbraw/zinc/12/45/79/205124579.db2.gz DBKNDJGVXUIIET-NHYWBVRUSA-N 2 2 311.813 3.068 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131114 205124580 /nfs/dbraw/zinc/12/45/80/205124580.db2.gz DBKNDJGVXUIIET-NHYWBVRUSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343750646 254184513 /nfs/dbraw/zinc/18/45/13/254184513.db2.gz OCBRTPCVBZKKRG-AWEZNQCLSA-N 2 2 303.406 3.216 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343750646 254184514 /nfs/dbraw/zinc/18/45/14/254184514.db2.gz OCBRTPCVBZKKRG-AWEZNQCLSA-N 2 2 303.406 3.216 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903452 285186333 /nfs/dbraw/zinc/18/63/33/285186333.db2.gz CTTHYIQGEDGHMJ-DZFYGRHCSA-N 2 2 317.433 3.272 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903452 285186334 /nfs/dbraw/zinc/18/63/34/285186334.db2.gz CTTHYIQGEDGHMJ-DZFYGRHCSA-N 2 2 317.433 3.272 20 5 DGBDLP Cc1ccc(CCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000348673730 285341296 /nfs/dbraw/zinc/34/12/96/285341296.db2.gz NQYZEEVTZNYUEF-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP Cc1ccc(CCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000348673730 285341302 /nfs/dbraw/zinc/34/13/02/285341302.db2.gz NQYZEEVTZNYUEF-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377497 400150382 /nfs/dbraw/zinc/15/03/82/400150382.db2.gz IRHOXUBKHVTBOB-NVXWUHKLSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377497 400150384 /nfs/dbraw/zinc/15/03/84/400150384.db2.gz IRHOXUBKHVTBOB-NVXWUHKLSA-N 2 2 303.406 3.010 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000601110691 400236474 /nfs/dbraw/zinc/23/64/74/400236474.db2.gz KOWCOLVYTQUSHV-GFCCVEGCSA-N 2 2 323.356 3.250 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368839 400252408 /nfs/dbraw/zinc/25/24/08/400252408.db2.gz UTMVGBJSIMHDBD-ZIAGYGMSSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368839 400252414 /nfs/dbraw/zinc/25/24/14/400252414.db2.gz UTMVGBJSIMHDBD-ZIAGYGMSSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322891 400295488 /nfs/dbraw/zinc/29/54/88/400295488.db2.gz RYCDUKSITQBPJD-IAQYHMDHSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000404322891 400295491 /nfs/dbraw/zinc/29/54/91/400295491.db2.gz RYCDUKSITQBPJD-IAQYHMDHSA-N 2 2 311.813 3.198 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000591282664 400506386 /nfs/dbraw/zinc/50/63/86/400506386.db2.gz MESCDSNLONLZJR-LBPRGKRZSA-N 2 2 309.797 3.013 20 5 DGBDLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602510917 400483787 /nfs/dbraw/zinc/48/37/87/400483787.db2.gz HASKSRLIUBHBED-UHFFFAOYSA-N 2 2 324.384 3.085 20 5 DGBDLP O=[N+]([O-])c1c(NCC23CCC[NH+]2CCC3)ccc2c[nH+]ccc21 ZINC000599080817 400953630 /nfs/dbraw/zinc/95/36/30/400953630.db2.gz RVGBPASWSPWUDT-UHFFFAOYSA-N 2 2 312.373 3.183 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598998851 400925065 /nfs/dbraw/zinc/92/50/65/400925065.db2.gz JAUAYYMUIGEQNZ-QQOXCAACSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000598998851 400925068 /nfs/dbraw/zinc/92/50/68/400925068.db2.gz JAUAYYMUIGEQNZ-QQOXCAACSA-N 2 2 315.417 3.215 20 5 DGBDLP C[NH+](C)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC1 ZINC000599023675 400931100 /nfs/dbraw/zinc/93/11/00/400931100.db2.gz VGCDNUDAFUGNJU-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960529 401007626 /nfs/dbraw/zinc/00/76/26/401007626.db2.gz MGPQRAVCPHFOFW-OLZOCXBDSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960529 401007630 /nfs/dbraw/zinc/00/76/30/401007630.db2.gz MGPQRAVCPHFOFW-OLZOCXBDSA-N 2 2 300.362 3.259 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652995 286707995 /nfs/dbraw/zinc/70/79/95/286707995.db2.gz HKUQKNQUJPBPPT-ZFWWWQNUSA-N 2 2 314.389 3.328 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534346 278313502 /nfs/dbraw/zinc/31/35/02/278313502.db2.gz NGAKHMFSJFXASB-HUUCEWRRSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266534346 278313504 /nfs/dbraw/zinc/31/35/04/278313504.db2.gz NGAKHMFSJFXASB-HUUCEWRRSA-N 2 2 303.406 3.074 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069050 288073315 /nfs/dbraw/zinc/07/33/15/288073315.db2.gz MGYBRBXPVFJLCU-OAUYIBNBSA-N 2 2 303.406 3.118 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069050 288073318 /nfs/dbraw/zinc/07/33/18/288073318.db2.gz MGYBRBXPVFJLCU-OAUYIBNBSA-N 2 2 303.406 3.118 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963834 431945330 /nfs/dbraw/zinc/94/53/30/431945330.db2.gz ALOWVJMLTLNUTQ-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963834 431945333 /nfs/dbraw/zinc/94/53/33/431945333.db2.gz ALOWVJMLTLNUTQ-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264368 /nfs/dbraw/zinc/26/43/68/432264368.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264373 /nfs/dbraw/zinc/26/43/73/432264373.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264374 /nfs/dbraw/zinc/26/43/74/432264374.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248031116 432264379 /nfs/dbraw/zinc/26/43/79/432264379.db2.gz QJVFIFZJCGUZOK-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000152449667 432333976 /nfs/dbraw/zinc/33/39/76/432333976.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000152449667 432333979 /nfs/dbraw/zinc/33/39/79/432333979.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000152449667 432333982 /nfs/dbraw/zinc/33/39/82/432333982.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000152449667 432333986 /nfs/dbraw/zinc/33/39/86/432333986.db2.gz QBAZFDUGMLGDHW-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271353483 432379248 /nfs/dbraw/zinc/37/92/48/432379248.db2.gz YUSOYPDUHVAJPW-JKIFEVAISA-N 2 2 314.389 3.435 20 5 DGBDLP CC(C)[NH2+]C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255130963 432407829 /nfs/dbraw/zinc/40/78/29/432407829.db2.gz HPWJFNSSTWCUGQ-ALCCZGGFSA-N 2 2 303.406 3.070 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373233574 433138172 /nfs/dbraw/zinc/13/81/72/433138172.db2.gz WJAOXEQWHYXMFC-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373233574 433138182 /nfs/dbraw/zinc/13/81/82/433138182.db2.gz WJAOXEQWHYXMFC-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000343914829 433838487 /nfs/dbraw/zinc/83/84/87/433838487.db2.gz MVQXQQUZFMCUPY-ZDUSSCGKSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977629 433952949 /nfs/dbraw/zinc/95/29/49/433952949.db2.gz KFUHHUIFZNGWMH-JTQLQIEISA-N 2 2 323.780 3.335 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258961 434317835 /nfs/dbraw/zinc/31/78/35/434317835.db2.gz CRRSSGOTKXWWLT-JSGCOSHPSA-N 2 2 309.410 3.018 20 5 DGBDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300189 434347803 /nfs/dbraw/zinc/34/78/03/434347803.db2.gz RBJCTCZLXBUGLT-TZMCWYRMSA-N 2 2 309.410 3.162 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750336 434395629 /nfs/dbraw/zinc/39/56/29/434395629.db2.gz HRJYMOLRGBTPNQ-ZBFHGGJFSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750336 434395640 /nfs/dbraw/zinc/39/56/40/434395640.db2.gz HRJYMOLRGBTPNQ-ZBFHGGJFSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750336 434395651 /nfs/dbraw/zinc/39/56/51/434395651.db2.gz HRJYMOLRGBTPNQ-ZBFHGGJFSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750336 434395662 /nfs/dbraw/zinc/39/56/62/434395662.db2.gz HRJYMOLRGBTPNQ-ZBFHGGJFSA-N 2 2 305.422 3.208 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394403 434436539 /nfs/dbraw/zinc/43/65/39/434436539.db2.gz KVORESXMKBAGDW-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394403 434436552 /nfs/dbraw/zinc/43/65/52/434436552.db2.gz KVORESXMKBAGDW-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245956 434649683 /nfs/dbraw/zinc/64/96/83/434649683.db2.gz IWYOEKGWFSDMCY-VNHYZAJKSA-N 2 2 321.421 3.127 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349245956 434649687 /nfs/dbraw/zinc/64/96/87/434649687.db2.gz IWYOEKGWFSDMCY-VNHYZAJKSA-N 2 2 321.421 3.127 20 5 DGBDLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240063 435150933 /nfs/dbraw/zinc/15/09/33/435150933.db2.gz GNVDNJUIJYJBFP-RHSMWYFYSA-N 2 2 305.422 3.367 20 5 DGBDLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240063 435150938 /nfs/dbraw/zinc/15/09/38/435150938.db2.gz GNVDNJUIJYJBFP-RHSMWYFYSA-N 2 2 305.422 3.367 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258962 528598573 /nfs/dbraw/zinc/59/85/73/528598573.db2.gz CRRSSGOTKXWWLT-OCCSQVGLSA-N 2 2 309.410 3.018 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000872018084 622753641 /nfs/dbraw/zinc/75/36/41/622753641.db2.gz ICCQGKIYDIGWLR-NSHDSACASA-N 2 2 309.435 3.062 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000786818465 624956024 /nfs/dbraw/zinc/95/60/24/624956024.db2.gz YSFUMAXFDSFREA-QKXCFHHRSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000786818465 624956031 /nfs/dbraw/zinc/95/60/31/624956031.db2.gz YSFUMAXFDSFREA-QKXCFHHRSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CC[NH3+] ZINC000844902881 630972810 /nfs/dbraw/zinc/97/28/10/630972810.db2.gz WEIZXEJAINZOLD-IAQYHMDHSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1CC[NH3+] ZINC000844902881 630972813 /nfs/dbraw/zinc/97/28/13/630972813.db2.gz WEIZXEJAINZOLD-IAQYHMDHSA-N 2 2 311.813 3.198 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850439763 632153609 /nfs/dbraw/zinc/15/36/09/632153609.db2.gz OIAHQCQFOWWCFZ-BFHYXJOUSA-N 2 2 321.421 3.127 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070290 1097937520 /nfs/dbraw/zinc/93/75/20/1097937520.db2.gz PYOIDWKHIRSQJZ-BMGDILEWSA-N 2 2 317.433 3.238 20 5 DGBDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076901118 185052767 /nfs/dbraw/zinc/05/27/67/185052767.db2.gz BZOSSPGEKVAPAA-UHFFFAOYSA-N 2 2 324.384 3.204 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000152625923 186091381 /nfs/dbraw/zinc/09/13/81/186091381.db2.gz RVBBLUFBJSYDDP-ZDUSSCGKSA-N 2 2 321.421 3.128 20 5 DGBDLP Cc1c([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000163826090 432042942 /nfs/dbraw/zinc/04/29/42/432042942.db2.gz URLVSJAUORRYFC-AWEZNQCLSA-N 2 2 314.389 3.451 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000194415934 201223279 /nfs/dbraw/zinc/22/32/79/201223279.db2.gz RJLZNIRMBXRECU-UHFFFAOYSA-N 2 2 322.368 3.113 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119509525 284144408 /nfs/dbraw/zinc/14/44/08/284144408.db2.gz VJKCRTPIYNDREV-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119509525 284144410 /nfs/dbraw/zinc/14/44/10/284144410.db2.gz VJKCRTPIYNDREV-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799190 432136961 /nfs/dbraw/zinc/13/69/61/432136961.db2.gz XVQTXAOJKTXCFY-BPUTZDHNSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799190 432136963 /nfs/dbraw/zinc/13/69/63/432136963.db2.gz XVQTXAOJKTXCFY-BPUTZDHNSA-N 2 2 303.406 3.181 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246531469 432142120 /nfs/dbraw/zinc/14/21/20/432142120.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246531469 432142133 /nfs/dbraw/zinc/14/21/33/432142133.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246531469 432142134 /nfs/dbraw/zinc/14/21/34/432142134.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246531469 432142135 /nfs/dbraw/zinc/14/21/35/432142135.db2.gz JJJLIPVWPSIKIR-YOEHRIQHSA-N 2 2 315.417 3.044 20 5 DGBDLP CC[NH+](CC)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338287781 253258203 /nfs/dbraw/zinc/25/82/03/253258203.db2.gz SSSYTMDUPONYSG-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP CC[NH+](CC)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338287781 253258204 /nfs/dbraw/zinc/25/82/04/253258204.db2.gz SSSYTMDUPONYSG-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000344816341 254308148 /nfs/dbraw/zinc/30/81/48/254308148.db2.gz CRMVOYCONJLYTM-UJMHRVFCSA-N 2 2 314.389 3.121 20 5 DGBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097569 400104979 /nfs/dbraw/zinc/10/49/79/400104979.db2.gz XQISLHZLSKMYAQ-WMLDXEAASA-N 2 2 303.406 3.046 20 5 DGBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097569 400104983 /nfs/dbraw/zinc/10/49/83/400104983.db2.gz XQISLHZLSKMYAQ-WMLDXEAASA-N 2 2 303.406 3.046 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000595327899 400128945 /nfs/dbraw/zinc/12/89/45/400128945.db2.gz DQAGJSSMTOFOMR-MRXNPFEDSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000595327899 400128948 /nfs/dbraw/zinc/12/89/48/400128948.db2.gz DQAGJSSMTOFOMR-MRXNPFEDSA-N 2 2 321.396 3.184 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505237 400170791 /nfs/dbraw/zinc/17/07/91/400170791.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505237 400170795 /nfs/dbraw/zinc/17/07/95/400170795.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505237 400170800 /nfs/dbraw/zinc/17/08/00/400170800.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505237 400170803 /nfs/dbraw/zinc/17/08/03/400170803.db2.gz QZRXCJJCZSRFLN-YJBOKZPZSA-N 2 2 317.433 3.382 20 5 DGBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596106366 400318550 /nfs/dbraw/zinc/31/85/50/400318550.db2.gz PKGWXERKYDJJJN-NSHDSACASA-N 2 2 305.403 3.021 20 5 DGBDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073955 400952229 /nfs/dbraw/zinc/95/22/29/400952229.db2.gz ODQQIYYFMPAQIX-CXAGYDPISA-N 2 2 303.406 3.262 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599031608 400933010 /nfs/dbraw/zinc/93/30/10/400933010.db2.gz GIYKOUNAYLXSIM-CYBMUJFWSA-N 2 2 300.362 3.038 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599031608 400933014 /nfs/dbraw/zinc/93/30/14/400933014.db2.gz GIYKOUNAYLXSIM-CYBMUJFWSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519384 401097371 /nfs/dbraw/zinc/09/73/71/401097371.db2.gz KGDYYXIJOOEUJS-RRQGHBQHSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519384 401097375 /nfs/dbraw/zinc/09/73/75/401097375.db2.gz KGDYYXIJOOEUJS-RRQGHBQHSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155924 230141469 /nfs/dbraw/zinc/14/14/69/230141469.db2.gz DGLSXEGIYUEDBE-DGCLKSJQSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155924 230141473 /nfs/dbraw/zinc/14/14/73/230141473.db2.gz DGLSXEGIYUEDBE-DGCLKSJQSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347070195 264150622 /nfs/dbraw/zinc/15/06/22/264150622.db2.gz AAVZKIOMDDGLAR-DZGCQCFKSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347070195 264150624 /nfs/dbraw/zinc/15/06/24/264150624.db2.gz AAVZKIOMDDGLAR-DZGCQCFKSA-N 2 2 313.357 3.204 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000182869638 432237059 /nfs/dbraw/zinc/23/70/59/432237059.db2.gz HCHRDNUOZGXEKA-CQSZACIVSA-N 2 2 305.422 3.427 20 5 DGBDLP C[NH+](C)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413256697 273816685 /nfs/dbraw/zinc/81/66/85/273816685.db2.gz BSSQQMAJYQUYHM-AWEZNQCLSA-N 2 2 314.389 3.064 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000413104733 275038820 /nfs/dbraw/zinc/03/88/20/275038820.db2.gz MONNZHKJPWQYOA-UHFFFAOYSA-N 2 2 323.356 3.250 20 5 DGBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000192942652 432432724 /nfs/dbraw/zinc/43/27/24/432432724.db2.gz RMQKTGZNDJOWBR-UVBSCNOISA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000192942652 432432730 /nfs/dbraw/zinc/43/27/30/432432730.db2.gz RMQKTGZNDJOWBR-UVBSCNOISA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525446 432414603 /nfs/dbraw/zinc/41/46/03/432414603.db2.gz RCHAAZAQDUSULM-HFAKWTLXSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525446 432414605 /nfs/dbraw/zinc/41/46/05/432414605.db2.gz RCHAAZAQDUSULM-HFAKWTLXSA-N 2 2 311.813 3.067 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000273088183 432547423 /nfs/dbraw/zinc/54/74/23/432547423.db2.gz MHWPKSAOCJNRGP-UHFFFAOYSA-N 2 2 323.824 3.355 20 5 DGBDLP Cc1ccc(CCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC000361797765 433394603 /nfs/dbraw/zinc/39/46/03/433394603.db2.gz KLKKJXOPDFARQZ-UHFFFAOYSA-N 2 2 311.385 3.289 20 5 DGBDLP Cc1ccc(CCC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC000361797765 433394613 /nfs/dbraw/zinc/39/46/13/433394613.db2.gz KLKKJXOPDFARQZ-UHFFFAOYSA-N 2 2 311.385 3.289 20 5 DGBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576502 /nfs/dbraw/zinc/57/65/02/433576502.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 2 2 323.824 3.166 20 5 DGBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576511 /nfs/dbraw/zinc/57/65/11/433576511.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 2 2 323.824 3.166 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576519 /nfs/dbraw/zinc/57/65/19/433576519.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 2 2 323.824 3.166 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429190 433576530 /nfs/dbraw/zinc/57/65/30/433576530.db2.gz PZQKFAJLAZIRNW-MRXNPFEDSA-N 2 2 323.824 3.166 20 5 DGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367436486 293071764 /nfs/dbraw/zinc/07/17/64/293071764.db2.gz GFEJCMAFYBDOBP-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CC1 ZINC000417357578 434367299 /nfs/dbraw/zinc/36/72/99/434367299.db2.gz RVTZVIYUYQATOK-CYBMUJFWSA-N 2 2 323.462 3.149 20 5 DGBDLP [NH3+][C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321119 434359428 /nfs/dbraw/zinc/35/94/28/434359428.db2.gz MTNYDXDCVKVLTC-MSOLQXFVSA-N 2 2 311.385 3.011 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+](C)C ZINC000349249884 434649014 /nfs/dbraw/zinc/64/90/14/434649014.db2.gz VNRMIPRKCXDTQA-STQMWFEESA-N 2 2 311.451 3.005 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000531721904 435114008 /nfs/dbraw/zinc/11/40/08/435114008.db2.gz XMLWLPXJWVTFPM-RDBSUJKOSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000531721904 435114010 /nfs/dbraw/zinc/11/40/10/435114010.db2.gz XMLWLPXJWVTFPM-RDBSUJKOSA-N 2 2 303.406 3.179 20 5 DGBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363792 435157087 /nfs/dbraw/zinc/15/70/87/435157087.db2.gz NKUJGQYPMXWKQL-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363792 435157091 /nfs/dbraw/zinc/15/70/91/435157091.db2.gz NKUJGQYPMXWKQL-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363792 435157095 /nfs/dbraw/zinc/15/70/95/435157095.db2.gz NKUJGQYPMXWKQL-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000493363792 435157098 /nfs/dbraw/zinc/15/70/98/435157098.db2.gz NKUJGQYPMXWKQL-SWLSCSKDSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000559984711 314898041 /nfs/dbraw/zinc/89/80/41/314898041.db2.gz OTMCUQJDEWXFRH-KRWDZBQOSA-N 2 2 314.389 3.239 20 5 DGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384557 533788684 /nfs/dbraw/zinc/78/86/84/533788684.db2.gz NBVSPXKUCUCUIT-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384557 533788695 /nfs/dbraw/zinc/78/86/95/533788695.db2.gz NBVSPXKUCUCUIT-NSHDSACASA-N 2 2 305.403 3.102 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415091706 534887381 /nfs/dbraw/zinc/88/73/81/534887381.db2.gz ZQEGZPKRYCBUFG-IAGOWNOFSA-N 2 2 311.385 3.178 20 5 DGBDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415058132 526619846 /nfs/dbraw/zinc/61/98/46/526619846.db2.gz SOVJJMHMSOZMMO-MRXNPFEDSA-N 2 2 317.389 3.318 20 5 DGBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415044073 527794625 /nfs/dbraw/zinc/79/46/25/527794625.db2.gz RZLYNUVDWFBUNZ-MRXNPFEDSA-N 2 2 315.373 3.085 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000746670500 575468630 /nfs/dbraw/zinc/46/86/30/575468630.db2.gz HHQXTZPIQWLGKM-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087103 620230544 /nfs/dbraw/zinc/23/05/44/620230544.db2.gz MQDLIOPHRHYGJP-ZFWWWQNUSA-N 2 2 323.824 3.212 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087103 620230545 /nfs/dbraw/zinc/23/05/45/620230545.db2.gz MQDLIOPHRHYGJP-ZFWWWQNUSA-N 2 2 323.824 3.212 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000866386139 622108120 /nfs/dbraw/zinc/10/81/20/622108120.db2.gz XSABJEQAZVDLPV-WFASDCNBSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000866386139 622108121 /nfs/dbraw/zinc/10/81/21/622108121.db2.gz XSABJEQAZVDLPV-WFASDCNBSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385734 622108171 /nfs/dbraw/zinc/10/81/71/622108171.db2.gz PXQCPOGKYDACFH-WFASDCNBSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385734 622108174 /nfs/dbraw/zinc/10/81/74/622108174.db2.gz PXQCPOGKYDACFH-WFASDCNBSA-N 2 2 323.412 3.127 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000872028935 622761985 /nfs/dbraw/zinc/76/19/85/622761985.db2.gz NPGPFRHLKULAST-NEPJUHHUSA-N 2 2 311.451 3.308 20 5 DGBDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129805 622823756 /nfs/dbraw/zinc/82/37/56/622823756.db2.gz UVPUKLHWLHWOOU-ZDUSSCGKSA-N 2 2 303.406 3.120 20 5 DGBDLP Cc1c(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133705 623044782 /nfs/dbraw/zinc/04/47/82/623044782.db2.gz UHOOPAKRUHEVQH-NVXWUHKLSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133705 623044789 /nfs/dbraw/zinc/04/47/89/623044789.db2.gz UHOOPAKRUHEVQH-NVXWUHKLSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133702 623045054 /nfs/dbraw/zinc/04/50/54/623045054.db2.gz UHOOPAKRUHEVQH-DOTOQJQBSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000873133702 623045062 /nfs/dbraw/zinc/04/50/62/623045062.db2.gz UHOOPAKRUHEVQH-DOTOQJQBSA-N 2 2 303.406 3.010 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000786811704 624955509 /nfs/dbraw/zinc/95/55/09/624955509.db2.gz LEPBZNFRMGYHLA-QZFKAFNDSA-N 2 2 317.433 3.462 20 5 DGBDLP Cc1[nH]c(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC000886667861 627184811 /nfs/dbraw/zinc/18/48/11/627184811.db2.gz JVYHPOFVURAWHD-UHFFFAOYSA-N 2 2 320.418 3.376 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000850439765 632153673 /nfs/dbraw/zinc/15/36/73/632153673.db2.gz OIAHQCQFOWWCFZ-MELADBBJSA-N 2 2 321.421 3.127 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439995 662200930 /nfs/dbraw/zinc/20/09/30/662200930.db2.gz WTQIOECLIJZFOC-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439995 662200933 /nfs/dbraw/zinc/20/09/33/662200933.db2.gz WTQIOECLIJZFOC-LBPRGKRZSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936321 1182631787 /nfs/dbraw/zinc/63/17/87/1182631787.db2.gz NTCWWPLCORAMMX-OCCSQVGLSA-N 2 2 323.462 3.399 20 5 DGBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936321 1182631791 /nfs/dbraw/zinc/63/17/91/1182631791.db2.gz NTCWWPLCORAMMX-OCCSQVGLSA-N 2 2 323.462 3.399 20 5 DGBDLP CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001576389019 1191579204 /nfs/dbraw/zinc/57/92/04/1191579204.db2.gz DMABCMZVFPAAHT-NWANDNLSSA-N 2 2 323.824 3.114 20 5 DGBDLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001648986265 1087068748 /nfs/dbraw/zinc/06/87/48/1087068748.db2.gz QRKLRAIXRVCEKY-ZDUSSCGKSA-N 2 2 317.389 3.285 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001173234356 1097378235 /nfs/dbraw/zinc/37/82/35/1097378235.db2.gz OKHMFSPDDZOJEQ-CVEARBPZSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001254546563 1106100432 /nfs/dbraw/zinc/10/04/32/1106100432.db2.gz GYMHLLBVKVSSAH-HOCLYGCPSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001254546563 1106100435 /nfs/dbraw/zinc/10/04/35/1106100435.db2.gz GYMHLLBVKVSSAH-HOCLYGCPSA-N 2 2 319.449 3.236 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[NH2+]CC2)s1 ZINC000435376359 238295437 /nfs/dbraw/zinc/29/54/37/238295437.db2.gz ZDVPLQLYTHCTFS-UHFFFAOYSA-N 2 2 317.414 3.119 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[NH2+]CC2)s1 ZINC000435376359 238295439 /nfs/dbraw/zinc/29/54/39/238295439.db2.gz ZDVPLQLYTHCTFS-UHFFFAOYSA-N 2 2 317.414 3.119 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123206 240027744 /nfs/dbraw/zinc/02/77/44/240027744.db2.gz BNZFODZLUVYBPW-GDBMZVCRSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123206 240027747 /nfs/dbraw/zinc/02/77/47/240027747.db2.gz BNZFODZLUVYBPW-GDBMZVCRSA-N 2 2 317.433 3.132 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159451 /nfs/dbraw/zinc/15/94/51/207159451.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159454 /nfs/dbraw/zinc/15/94/54/207159454.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159456 /nfs/dbraw/zinc/15/94/56/207159456.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000269003514 207159459 /nfs/dbraw/zinc/15/94/59/207159459.db2.gz PXLMMPJVKYKLIJ-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP Cc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099392 197162158 /nfs/dbraw/zinc/16/21/58/197162158.db2.gz IZKIWDSBJFOPJS-QGZVFWFLSA-N 2 2 317.433 3.354 20 5 DGBDLP Cc1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000157099392 197162159 /nfs/dbraw/zinc/16/21/59/197162159.db2.gz IZKIWDSBJFOPJS-QGZVFWFLSA-N 2 2 317.433 3.354 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289483744 221008396 /nfs/dbraw/zinc/00/83/96/221008396.db2.gz BBMDOLXBWQDWFJ-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP Cc1cc[nH+]cc1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000289483744 221008398 /nfs/dbraw/zinc/00/83/98/221008398.db2.gz BBMDOLXBWQDWFJ-UHFFFAOYSA-N 2 2 313.401 3.405 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000595035908 400084178 /nfs/dbraw/zinc/08/41/78/400084178.db2.gz NFXHXZLCHNNSCE-ZDUSSCGKSA-N 2 2 315.373 3.200 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507949 400172741 /nfs/dbraw/zinc/17/27/41/400172741.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507949 400172747 /nfs/dbraw/zinc/17/27/47/400172747.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507949 400172754 /nfs/dbraw/zinc/17/27/54/400172754.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507949 400172760 /nfs/dbraw/zinc/17/27/60/400172760.db2.gz SCCLGTRPRVHGQY-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326619 400295203 /nfs/dbraw/zinc/29/52/03/400295203.db2.gz VTVXEESUILBUNL-BXUZGUMPSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326619 400295206 /nfs/dbraw/zinc/29/52/06/400295206.db2.gz VTVXEESUILBUNL-BXUZGUMPSA-N 2 2 311.813 3.198 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268077 400369654 /nfs/dbraw/zinc/36/96/54/400369654.db2.gz FTDLCLLBQHVGJB-GIZXNFQBSA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268077 400369656 /nfs/dbraw/zinc/36/96/56/400369656.db2.gz FTDLCLLBQHVGJB-GIZXNFQBSA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCC[NH2+]3)o2)c1 ZINC000591275597 400505691 /nfs/dbraw/zinc/50/56/91/400505691.db2.gz IGDOIGNETZRFRG-CQSZACIVSA-N 2 2 315.373 3.087 20 5 DGBDLP C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051691 400939212 /nfs/dbraw/zinc/93/92/12/400939212.db2.gz WAVUAUSDNUWFDH-DGCLKSJQSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073494 400950642 /nfs/dbraw/zinc/95/06/42/400950642.db2.gz HBZFUGZAWQJIDI-DYVFJYSZSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073494 400950646 /nfs/dbraw/zinc/95/06/46/400950646.db2.gz HBZFUGZAWQJIDI-DYVFJYSZSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073493 400950816 /nfs/dbraw/zinc/95/08/16/400950816.db2.gz HBZFUGZAWQJIDI-CXAGYDPISA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073493 400950820 /nfs/dbraw/zinc/95/08/20/400950820.db2.gz HBZFUGZAWQJIDI-CXAGYDPISA-N 2 2 303.406 3.262 20 5 DGBDLP O=[N+]([O-])c1c(NC2CC[NH+](C3CC3)CC2)ccc2c[nH+]ccc21 ZINC000599023024 400929618 /nfs/dbraw/zinc/92/96/18/400929618.db2.gz PVSYVYQTPKULRV-UHFFFAOYSA-N 2 2 312.373 3.182 20 5 DGBDLP CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098604 400960744 /nfs/dbraw/zinc/96/07/44/400960744.db2.gz NFFQNHXAFYKKDO-ZDUSSCGKSA-N 2 2 314.389 3.428 20 5 DGBDLP CC(C)(C)[N@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098604 400960749 /nfs/dbraw/zinc/96/07/49/400960749.db2.gz NFFQNHXAFYKKDO-ZDUSSCGKSA-N 2 2 314.389 3.428 20 5 DGBDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519382 401097899 /nfs/dbraw/zinc/09/78/99/401097899.db2.gz KGDYYXIJOOEUJS-IAOVAPTHSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519382 401097906 /nfs/dbraw/zinc/09/79/06/401097906.db2.gz KGDYYXIJOOEUJS-IAOVAPTHSA-N 2 2 303.406 3.262 20 5 DGBDLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521251 401099214 /nfs/dbraw/zinc/09/92/14/401099214.db2.gz STYGJTLTHPLQQL-JKSUJKDBSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521251 401099217 /nfs/dbraw/zinc/09/92/17/401099217.db2.gz STYGJTLTHPLQQL-JKSUJKDBSA-N 2 2 303.406 3.010 20 5 DGBDLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991916 401220037 /nfs/dbraw/zinc/22/00/37/401220037.db2.gz NKPZNWNQKZKIIA-DKGMDFAASA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991916 401220046 /nfs/dbraw/zinc/22/00/46/401220046.db2.gz NKPZNWNQKZKIIA-DKGMDFAASA-N 2 2 303.406 3.072 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069042 432153450 /nfs/dbraw/zinc/15/34/50/432153450.db2.gz MGYBRBXPVFJLCU-AFAVFJNCSA-N 2 2 303.406 3.118 20 5 DGBDLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069042 432153453 /nfs/dbraw/zinc/15/34/53/432153453.db2.gz MGYBRBXPVFJLCU-AFAVFJNCSA-N 2 2 303.406 3.118 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247365247 432226534 /nfs/dbraw/zinc/22/65/34/432226534.db2.gz HLYKFCPFXMETMU-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247365247 432226536 /nfs/dbraw/zinc/22/65/36/432226536.db2.gz HLYKFCPFXMETMU-MLGOLLRUSA-N 2 2 318.352 3.014 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023850 264141949 /nfs/dbraw/zinc/14/19/49/264141949.db2.gz QDEBIIFYCSWIPP-OAHLLOKOSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023850 264141951 /nfs/dbraw/zinc/14/19/51/264141951.db2.gz QDEBIIFYCSWIPP-OAHLLOKOSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022384 264142106 /nfs/dbraw/zinc/14/21/06/264142106.db2.gz OCSDTMXXFTUIFR-HNNXBMFYSA-N 2 2 305.422 3.150 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000347022384 264142109 /nfs/dbraw/zinc/14/21/09/264142109.db2.gz OCSDTMXXFTUIFR-HNNXBMFYSA-N 2 2 305.422 3.150 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000348293495 264383730 /nfs/dbraw/zinc/38/37/30/264383730.db2.gz PICPNSQTEZESBR-STQMWFEESA-N 2 2 311.451 3.005 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264142 /nfs/dbraw/zinc/26/41/42/265264142.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264147 /nfs/dbraw/zinc/26/41/47/265264147.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264150 /nfs/dbraw/zinc/26/41/50/265264150.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000353011377 265264153 /nfs/dbraw/zinc/26/41/53/265264153.db2.gz WSAYKPFNFGQBPS-MAUKXSAKSA-N 2 2 317.433 3.244 20 5 DGBDLP CC1(C)C[C@@H]([NH2+]CC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433135061 273587418 /nfs/dbraw/zinc/58/74/18/273587418.db2.gz SPKUWIZFLWRHIY-MRXNPFEDSA-N 2 2 303.406 3.003 20 5 DGBDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152808201 274513150 /nfs/dbraw/zinc/51/31/50/274513150.db2.gz QJWJZYYCXMUEKS-ZDUSSCGKSA-N 2 2 314.389 3.021 20 5 DGBDLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427864778 276045305 /nfs/dbraw/zinc/04/53/05/276045305.db2.gz FTHOJMZCTGHCRK-ZBFHGGJFSA-N 2 2 314.389 3.237 20 5 DGBDLP CC[NH+](CC)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338273498 276096115 /nfs/dbraw/zinc/09/61/15/276096115.db2.gz FWDAYJADOLTROT-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338273498 276096116 /nfs/dbraw/zinc/09/61/16/276096116.db2.gz FWDAYJADOLTROT-UHFFFAOYSA-N 2 2 305.422 3.291 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175880 276174480 /nfs/dbraw/zinc/17/44/80/276174480.db2.gz NEFNFOLNYZZDIW-RHSMWYFYSA-N 2 2 317.433 3.391 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175880 276174481 /nfs/dbraw/zinc/17/44/81/276174481.db2.gz NEFNFOLNYZZDIW-RHSMWYFYSA-N 2 2 317.433 3.391 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712197 278312906 /nfs/dbraw/zinc/31/29/06/278312906.db2.gz FGAABFLTAGJMKC-CVEARBPZSA-N 2 2 317.433 3.464 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712197 278312907 /nfs/dbraw/zinc/31/29/07/278312907.db2.gz FGAABFLTAGJMKC-CVEARBPZSA-N 2 2 317.433 3.464 20 5 DGBDLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133397 279133756 /nfs/dbraw/zinc/13/37/56/279133756.db2.gz YHTMOISIRQVIAU-GDBMZVCRSA-N 2 2 307.438 3.092 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633189 431799479 /nfs/dbraw/zinc/79/94/79/431799479.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633189 431799484 /nfs/dbraw/zinc/79/94/84/431799484.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633189 431799488 /nfs/dbraw/zinc/79/94/88/431799488.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633189 431799496 /nfs/dbraw/zinc/79/94/96/431799496.db2.gz IUDIMXOFDISXRV-GOEBONIOSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000276311556 432794816 /nfs/dbraw/zinc/79/48/16/432794816.db2.gz MLPKTBBKBISCTF-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000276311556 432794819 /nfs/dbraw/zinc/79/48/19/432794819.db2.gz MLPKTBBKBISCTF-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074715 434099769 /nfs/dbraw/zinc/09/97/69/434099769.db2.gz OXYKTOZLIPIKOI-ZDUSSCGKSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074715 434099778 /nfs/dbraw/zinc/09/97/78/434099778.db2.gz OXYKTOZLIPIKOI-ZDUSSCGKSA-N 2 2 317.414 3.246 20 5 DGBDLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268287 434325031 /nfs/dbraw/zinc/32/50/31/434325031.db2.gz FVDBTGODBQJWOL-KDOFPFPSSA-N 2 2 313.401 3.129 20 5 DGBDLP [NH3+]C1(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000423339809 434371797 /nfs/dbraw/zinc/37/17/97/434371797.db2.gz WYVOXRFEVHGKMF-KRWDZBQOSA-N 2 2 311.385 3.155 20 5 DGBDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000423300188 434349200 /nfs/dbraw/zinc/34/92/00/434349200.db2.gz RBJCTCZLXBUGLT-OCCSQVGLSA-N 2 2 309.410 3.162 20 5 DGBDLP Cc1cccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC000359833088 434443115 /nfs/dbraw/zinc/44/31/15/434443115.db2.gz DWCJUQFTEOLGEV-UHFFFAOYSA-N 2 2 322.368 3.231 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401280 434406752 /nfs/dbraw/zinc/40/67/52/434406752.db2.gz XNQAMMYPKZEAMU-CJNGLKHVSA-N 2 2 305.422 3.332 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+](C)CC ZINC000349249971 434650304 /nfs/dbraw/zinc/65/03/04/434650304.db2.gz WWCGIAAKPBDZKP-CYBMUJFWSA-N 2 2 311.451 3.007 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+](C)CC ZINC000349249971 434650306 /nfs/dbraw/zinc/65/03/06/434650306.db2.gz WWCGIAAKPBDZKP-CYBMUJFWSA-N 2 2 311.451 3.007 20 5 DGBDLP CCC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240062 435151337 /nfs/dbraw/zinc/15/13/37/435151337.db2.gz GNVDNJUIJYJBFP-PBHICJAKSA-N 2 2 305.422 3.367 20 5 DGBDLP CCC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240062 435151343 /nfs/dbraw/zinc/15/13/43/435151343.db2.gz GNVDNJUIJYJBFP-PBHICJAKSA-N 2 2 305.422 3.367 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000449224281 298918394 /nfs/dbraw/zinc/91/83/94/298918394.db2.gz LEJLLAVKSQIUSF-CQSZACIVSA-N 2 2 314.389 3.013 20 5 DGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000420371899 303393128 /nfs/dbraw/zinc/39/31/28/303393128.db2.gz PVTXDCIGFNPGIA-CQSZACIVSA-N 2 2 311.813 3.245 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000893361948 618530537 /nfs/dbraw/zinc/53/05/37/618530537.db2.gz VLRLDLOBMMSMMG-UHFFFAOYSA-N 2 2 320.780 3.235 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815643 619814226 /nfs/dbraw/zinc/81/42/26/619814226.db2.gz SKQGDZLDXCMPSY-MRXNPFEDSA-N 2 2 321.396 3.217 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000903815643 619814229 /nfs/dbraw/zinc/81/42/29/619814229.db2.gz SKQGDZLDXCMPSY-MRXNPFEDSA-N 2 2 321.396 3.217 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385733 622108018 /nfs/dbraw/zinc/10/80/18/622108018.db2.gz PXQCPOGKYDACFH-SWLSCSKDSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385733 622108022 /nfs/dbraw/zinc/10/80/22/622108022.db2.gz PXQCPOGKYDACFH-SWLSCSKDSA-N 2 2 323.412 3.127 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000786811707 624955493 /nfs/dbraw/zinc/95/54/93/624955493.db2.gz LEPBZNFRMGYHLA-SFKKXYGYSA-N 2 2 317.433 3.462 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865895 627951718 /nfs/dbraw/zinc/95/17/18/627951718.db2.gz OIXQIAHPZRENJZ-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865895 627951723 /nfs/dbraw/zinc/95/17/23/627951723.db2.gz OIXQIAHPZRENJZ-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621554623 1193857576 /nfs/dbraw/zinc/85/75/76/1193857576.db2.gz BUYDYJLEJJNWOA-UHFFFAOYSA-N 2 2 313.829 3.268 20 5 DGBDLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001621554623 1193857581 /nfs/dbraw/zinc/85/75/81/1193857581.db2.gz BUYDYJLEJJNWOA-UHFFFAOYSA-N 2 2 313.829 3.268 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001173235695 1097379620 /nfs/dbraw/zinc/37/96/20/1097379620.db2.gz YOESTLQFJQOJCC-HIFRSBDPSA-N 2 2 314.389 3.062 20 5 DGBDLP [NH3+][C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177008 1100014852 /nfs/dbraw/zinc/01/48/52/1100014852.db2.gz VVWKTZVPFHQDOJ-HXUWFJFHSA-N 2 2 318.420 3.153 20 5 DGBDLP [NH3+][C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CC12COC2 ZINC001237177008 1100014863 /nfs/dbraw/zinc/01/48/63/1100014863.db2.gz VVWKTZVPFHQDOJ-HXUWFJFHSA-N 2 2 318.420 3.153 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653086 1104649928 /nfs/dbraw/zinc/64/99/28/1104649928.db2.gz QVWUPVHODGONHL-QAPCUYQASA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653086 1104649933 /nfs/dbraw/zinc/64/99/33/1104649933.db2.gz QVWUPVHODGONHL-QAPCUYQASA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001254539704 1106098799 /nfs/dbraw/zinc/09/87/99/1106098799.db2.gz JYPVKKMODIBAAP-HOTGVXAUSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001254559106 1106103241 /nfs/dbraw/zinc/10/32/41/1106103241.db2.gz IITQXZWRWHKBHV-AWEZNQCLSA-N 2 2 314.389 3.059 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3[nH+]ccn32)C2CC2)cc1 ZINC000179694622 186206921 /nfs/dbraw/zinc/20/69/21/186206921.db2.gz NSLZYAOFIRIZDO-UHFFFAOYSA-N 2 2 322.368 3.407 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc3[nH+]ccn32)C2CC2)cc1 ZINC000179694622 186206923 /nfs/dbraw/zinc/20/69/23/186206923.db2.gz NSLZYAOFIRIZDO-UHFFFAOYSA-N 2 2 322.368 3.407 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000444614748 239306777 /nfs/dbraw/zinc/30/67/77/239306777.db2.gz ZWPDYLVMJPFWFS-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000444614748 239306780 /nfs/dbraw/zinc/30/67/80/239306780.db2.gz ZWPDYLVMJPFWFS-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000449285819 240109646 /nfs/dbraw/zinc/10/96/46/240109646.db2.gz SVMXIHKVRVUYIN-WMLDXEAASA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000449285819 240109651 /nfs/dbraw/zinc/10/96/51/240109651.db2.gz SVMXIHKVRVUYIN-WMLDXEAASA-N 2 2 317.433 3.132 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298176 /nfs/dbraw/zinc/29/81/76/193298176.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298178 /nfs/dbraw/zinc/29/81/78/193298178.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298180 /nfs/dbraw/zinc/29/81/80/193298180.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093742100 193298181 /nfs/dbraw/zinc/29/81/81/193298181.db2.gz BNRBFSXPHXXKPU-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182203 /nfs/dbraw/zinc/18/22/03/285182203.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182205 /nfs/dbraw/zinc/18/22/05/285182205.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182208 /nfs/dbraw/zinc/18/22/08/285182208.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255848690 285182210 /nfs/dbraw/zinc/18/22/10/285182210.db2.gz VKMRFIZLRIGSPS-QKIRZYONSA-N 2 2 317.433 3.272 20 5 DGBDLP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600678327 400127982 /nfs/dbraw/zinc/12/79/82/400127982.db2.gz IXZPLSIEWBWMQT-MRXNPFEDSA-N 2 2 303.406 3.092 20 5 DGBDLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600775328 400149297 /nfs/dbraw/zinc/14/92/97/400149297.db2.gz NBDBHLJSSYWICM-UHFFFAOYSA-N 2 2 305.403 3.104 20 5 DGBDLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600775328 400149301 /nfs/dbraw/zinc/14/93/01/400149301.db2.gz NBDBHLJSSYWICM-UHFFFAOYSA-N 2 2 305.403 3.104 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718887 400400054 /nfs/dbraw/zinc/40/00/54/400400054.db2.gz FGAABFLTAGJMKC-HZPDHXFCSA-N 2 2 317.433 3.464 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718887 400400057 /nfs/dbraw/zinc/40/00/57/400400057.db2.gz FGAABFLTAGJMKC-HZPDHXFCSA-N 2 2 317.433 3.464 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867810 400471028 /nfs/dbraw/zinc/47/10/28/400471028.db2.gz FLEJXCTZXYIFKN-SBSDFTTDSA-N 2 2 303.406 3.024 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867810 400471031 /nfs/dbraw/zinc/47/10/31/400471031.db2.gz FLEJXCTZXYIFKN-SBSDFTTDSA-N 2 2 303.406 3.024 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004753 400626885 /nfs/dbraw/zinc/62/68/85/400626885.db2.gz UNRPCGILSXIUFP-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076004753 400626891 /nfs/dbraw/zinc/62/68/91/400626891.db2.gz UNRPCGILSXIUFP-LSDHHAIUSA-N 2 2 305.422 3.320 20 5 DGBDLP C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062850 400944528 /nfs/dbraw/zinc/94/45/28/400944528.db2.gz VPOBUDASBSSWSZ-AAEUAGOBSA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062850 400944533 /nfs/dbraw/zinc/94/45/33/400944533.db2.gz VPOBUDASBSSWSZ-AAEUAGOBSA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073957 400952498 /nfs/dbraw/zinc/95/24/98/400952498.db2.gz ODQQIYYFMPAQIX-GUYCJALGSA-N 2 2 303.406 3.262 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598998854 400925507 /nfs/dbraw/zinc/92/55/07/400925507.db2.gz JAUAYYMUIGEQNZ-XTKXOIQPSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000598998854 400925513 /nfs/dbraw/zinc/92/55/13/400925513.db2.gz JAUAYYMUIGEQNZ-XTKXOIQPSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc2c[nH+]ccc21 ZINC000599019481 400928941 /nfs/dbraw/zinc/92/89/41/400928941.db2.gz MFSXUBXXACJEAL-GDBMZVCRSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc2c[nH+]ccc21 ZINC000599019481 400928943 /nfs/dbraw/zinc/92/89/43/400928943.db2.gz MFSXUBXXACJEAL-GDBMZVCRSA-N 2 2 312.373 3.182 20 5 DGBDLP C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000599023807 400931088 /nfs/dbraw/zinc/93/10/88/400931088.db2.gz LREVBSUNAZWCCR-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[NH+]1CCC(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599033424 400932932 /nfs/dbraw/zinc/93/29/32/400932932.db2.gz WMSVDLGMISGXCD-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991919 401220664 /nfs/dbraw/zinc/22/06/64/401220664.db2.gz NKPZNWNQKZKIIA-SCOADAFUSA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991919 401220670 /nfs/dbraw/zinc/22/06/70/401220670.db2.gz NKPZNWNQKZKIIA-SCOADAFUSA-N 2 2 303.406 3.072 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799194 292247810 /nfs/dbraw/zinc/24/78/10/292247810.db2.gz XVQTXAOJKTXCFY-NUEKZKHPSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799194 292247811 /nfs/dbraw/zinc/24/78/11/292247811.db2.gz XVQTXAOJKTXCFY-NUEKZKHPSA-N 2 2 303.406 3.181 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000413067895 230125890 /nfs/dbraw/zinc/12/58/90/230125890.db2.gz XHRLWTPXGVNCQD-KBPBESRZSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000413067895 230125894 /nfs/dbraw/zinc/12/58/94/230125894.db2.gz XHRLWTPXGVNCQD-KBPBESRZSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000413067897 230126042 /nfs/dbraw/zinc/12/60/42/230126042.db2.gz XHRLWTPXGVNCQD-KGLIPLIRSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000413067897 230126044 /nfs/dbraw/zinc/12/60/44/230126044.db2.gz XHRLWTPXGVNCQD-KGLIPLIRSA-N 2 2 312.373 3.182 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346497835 264041876 /nfs/dbraw/zinc/04/18/76/264041876.db2.gz UVHPHWKHZIDYCH-CXAGYDPISA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346497835 264041878 /nfs/dbraw/zinc/04/18/78/264041878.db2.gz UVHPHWKHZIDYCH-CXAGYDPISA-N 2 2 313.357 3.204 20 5 DGBDLP C[NH2+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347219374 264178164 /nfs/dbraw/zinc/17/81/64/264178164.db2.gz SICLEIIAASOIRW-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107841 /nfs/dbraw/zinc/10/78/41/265107841.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107843 /nfs/dbraw/zinc/10/78/43/265107843.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107844 /nfs/dbraw/zinc/10/78/44/265107844.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618705 265107846 /nfs/dbraw/zinc/10/78/46/265107846.db2.gz SSLXIDAWJQAHEZ-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000468637288 276823594 /nfs/dbraw/zinc/82/35/94/276823594.db2.gz HSBCXAHCGDIADH-VBKFSLOCSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633196 431799584 /nfs/dbraw/zinc/79/95/84/431799584.db2.gz IUDIMXOFDISXRV-GDBMZVCRSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633196 431799589 /nfs/dbraw/zinc/79/95/89/431799589.db2.gz IUDIMXOFDISXRV-GDBMZVCRSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633196 431799597 /nfs/dbraw/zinc/79/95/97/431799597.db2.gz IUDIMXOFDISXRV-GDBMZVCRSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633196 431799602 /nfs/dbraw/zinc/79/96/02/431799602.db2.gz IUDIMXOFDISXRV-GDBMZVCRSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041002 432470384 /nfs/dbraw/zinc/47/03/84/432470384.db2.gz PBYBVLMHOABLDL-BXUZGUMPSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1[NH3+] ZINC000262041002 432470386 /nfs/dbraw/zinc/47/03/86/432470386.db2.gz PBYBVLMHOABLDL-BXUZGUMPSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265459051 432702090 /nfs/dbraw/zinc/70/20/90/432702090.db2.gz FDGJCTTVPLCHDM-GFCCVEGCSA-N 2 2 300.362 3.259 20 5 DGBDLP Cc1c([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367438257 293072758 /nfs/dbraw/zinc/07/27/58/293072758.db2.gz LTSJOPRNSNEZOA-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000433229410 433850152 /nfs/dbraw/zinc/85/01/52/433850152.db2.gz RDSMPRQXZZDQBH-OAUYIBNBSA-N 2 2 317.433 3.390 20 5 DGBDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000433229410 433850163 /nfs/dbraw/zinc/85/01/63/433850163.db2.gz RDSMPRQXZZDQBH-OAUYIBNBSA-N 2 2 317.433 3.390 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422708987 433940505 /nfs/dbraw/zinc/94/05/05/433940505.db2.gz CPKCFGOXMQCCOJ-UKRRQHHQSA-N 2 2 321.421 3.004 20 5 DGBDLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203725 434282944 /nfs/dbraw/zinc/28/29/44/434282944.db2.gz NBWLGPXSKNRYGX-RYUDHWBXSA-N 2 2 317.414 3.336 20 5 DGBDLP [NH3+][C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321122 434357203 /nfs/dbraw/zinc/35/72/03/434357203.db2.gz MTNYDXDCVKVLTC-ZWKOTPCHSA-N 2 2 311.385 3.011 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000903812938 619818420 /nfs/dbraw/zinc/81/84/20/619818420.db2.gz BNHZPPSWKFNWPM-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000903812938 619818425 /nfs/dbraw/zinc/81/84/25/619818425.db2.gz BNHZPPSWKFNWPM-INIZCTEOSA-N 2 2 321.396 3.217 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087095 620230571 /nfs/dbraw/zinc/23/05/71/620230571.db2.gz MQDLIOPHRHYGJP-HIFRSBDPSA-N 2 2 323.824 3.212 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087095 620230572 /nfs/dbraw/zinc/23/05/72/620230572.db2.gz MQDLIOPHRHYGJP-HIFRSBDPSA-N 2 2 323.824 3.212 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000866386132 622108293 /nfs/dbraw/zinc/10/82/93/622108293.db2.gz XSABJEQAZVDLPV-DOMZBBRYSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000866386132 622108295 /nfs/dbraw/zinc/10/82/95/622108295.db2.gz XSABJEQAZVDLPV-DOMZBBRYSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CC[NH3+] ZINC000844902880 630972995 /nfs/dbraw/zinc/97/29/95/630972995.db2.gz WEIZXEJAINZOLD-ABAIWWIYSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1CC[NH3+] ZINC000844902880 630973001 /nfs/dbraw/zinc/97/30/01/630973001.db2.gz WEIZXEJAINZOLD-ABAIWWIYSA-N 2 2 311.813 3.198 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000045105842 658942752 /nfs/dbraw/zinc/94/27/52/658942752.db2.gz QMKLFQZPGWIQKK-UHFFFAOYSA-N 2 2 308.769 3.015 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001173235699 1097379638 /nfs/dbraw/zinc/37/96/38/1097379638.db2.gz YOESTLQFJQOJCC-UKRRQHHQSA-N 2 2 314.389 3.062 20 5 DGBDLP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563475 1106103966 /nfs/dbraw/zinc/10/39/66/1106103966.db2.gz WXIWTSNCYMNWSP-OAHLLOKOSA-N 2 2 319.449 3.332 20 5 DGBDLP CCc1ccc([C@@H]([NH2+]C[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308926 529712092 /nfs/dbraw/zinc/71/20/92/529712092.db2.gz PHGYUVMUYQRHGK-PXAZEXFGSA-N 2 2 317.389 3.024 20 5 DGBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000451545536 241168864 /nfs/dbraw/zinc/16/88/64/241168864.db2.gz HPXKXLADJFFLNP-INIZCTEOSA-N 2 2 314.389 3.061 20 5 DGBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000451545536 241168870 /nfs/dbraw/zinc/16/88/70/241168870.db2.gz HPXKXLADJFFLNP-INIZCTEOSA-N 2 2 314.389 3.061 20 5 DGBDLP C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000060390879 184147992 /nfs/dbraw/zinc/14/79/92/184147992.db2.gz DWXFUSPSHWURTJ-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000601115042 400238062 /nfs/dbraw/zinc/23/80/62/400238062.db2.gz YEYMZDHQPVZAAV-CQSZACIVSA-N 2 2 323.356 3.181 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368838 400252339 /nfs/dbraw/zinc/25/23/39/400252339.db2.gz UTMVGBJSIMHDBD-UONOGXRCSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610368838 400252341 /nfs/dbraw/zinc/25/23/41/400252341.db2.gz UTMVGBJSIMHDBD-UONOGXRCSA-N 2 2 300.362 3.189 20 5 DGBDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000596108759 400319548 /nfs/dbraw/zinc/31/95/48/400319548.db2.gz XTYDREKLYZXMAA-NSHDSACASA-N 2 2 305.403 3.021 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000591282663 400506198 /nfs/dbraw/zinc/50/61/98/400506198.db2.gz MESCDSNLONLZJR-GFCCVEGCSA-N 2 2 309.797 3.013 20 5 DGBDLP CC[NH2+]CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000591577190 400541245 /nfs/dbraw/zinc/54/12/45/400541245.db2.gz YNZUYYRWFJBAMR-SFHVURJKSA-N 2 2 313.401 3.273 20 5 DGBDLP CC(C)[N@H+](C)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085650 400955484 /nfs/dbraw/zinc/95/54/84/400955484.db2.gz UVKPAMABYOJUJM-LBPRGKRZSA-N 2 2 302.378 3.284 20 5 DGBDLP CC(C)[N@@H+](C)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085650 400955490 /nfs/dbraw/zinc/95/54/90/400955490.db2.gz UVKPAMABYOJUJM-LBPRGKRZSA-N 2 2 302.378 3.284 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598998852 400925765 /nfs/dbraw/zinc/92/57/65/400925765.db2.gz JAUAYYMUIGEQNZ-UABRLCRWSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598998852 400925769 /nfs/dbraw/zinc/92/57/69/400925769.db2.gz JAUAYYMUIGEQNZ-UABRLCRWSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1c(NCCC[NH+]2CCCC2)ccc2c[nH+]ccc21 ZINC000599019784 400928064 /nfs/dbraw/zinc/92/80/64/400928064.db2.gz HASBICOGMYLBOO-UHFFFAOYSA-N 2 2 300.362 3.041 20 5 DGBDLP O=[N+]([O-])c1c(NCCC[NH+]2CCCCC2)ccc2c[nH+]ccc21 ZINC000599021410 400928088 /nfs/dbraw/zinc/92/80/88/400928088.db2.gz YTLJKYQJPGEZJW-UHFFFAOYSA-N 2 2 314.389 3.431 20 5 DGBDLP CCC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020949 400928374 /nfs/dbraw/zinc/92/83/74/400928374.db2.gz QVXYCXKFHCRSPT-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[N@H+](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CCCC1 ZINC000599037819 400934093 /nfs/dbraw/zinc/93/40/93/400934093.db2.gz FLQDSPDURYDKSS-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[N@@H+](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CCCC1 ZINC000599037819 400934096 /nfs/dbraw/zinc/93/40/96/400934096.db2.gz FLQDSPDURYDKSS-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DGBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000249032778 401080833 /nfs/dbraw/zinc/08/08/33/401080833.db2.gz RMQKTGZNDJOWBR-IAISJRAMSA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000249032778 401080846 /nfs/dbraw/zinc/08/08/46/401080846.db2.gz RMQKTGZNDJOWBR-IAISJRAMSA-N 2 2 315.417 3.187 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594520948 401099527 /nfs/dbraw/zinc/09/95/27/401099527.db2.gz RUICPJFBACJFEY-LZLYRXPVSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594520948 401099533 /nfs/dbraw/zinc/09/95/33/401099533.db2.gz RUICPJFBACJFEY-LZLYRXPVSA-N 2 2 315.417 3.189 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594955921 401206882 /nfs/dbraw/zinc/20/68/82/401206882.db2.gz HJPULEPYGSVIEK-DKGMDFAASA-N 2 2 317.433 3.461 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594955921 401206887 /nfs/dbraw/zinc/20/68/87/401206887.db2.gz HJPULEPYGSVIEK-DKGMDFAASA-N 2 2 317.433 3.461 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652994 286707919 /nfs/dbraw/zinc/70/79/19/286707919.db2.gz HKUQKNQUJPBPPT-UKRRQHHQSA-N 2 2 314.389 3.328 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075627 264153009 /nfs/dbraw/zinc/15/30/09/264153009.db2.gz ULXNSZYPFXXEPV-HNNXBMFYSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075627 264153012 /nfs/dbraw/zinc/15/30/12/264153012.db2.gz ULXNSZYPFXXEPV-HNNXBMFYSA-N 2 2 315.373 3.168 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000182832906 432233626 /nfs/dbraw/zinc/23/36/26/432233626.db2.gz DAQDUHVQCOQOCH-CQSZACIVSA-N 2 2 314.389 3.498 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000271353482 432379564 /nfs/dbraw/zinc/37/95/64/432379564.db2.gz YUSOYPDUHVAJPW-CPUCHLNUSA-N 2 2 314.389 3.435 20 5 DGBDLP C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290923501 433209542 /nfs/dbraw/zinc/20/95/42/433209542.db2.gz QUZPBBKKJPYIHT-UHFFFAOYSA-N 2 2 318.204 3.085 20 5 DGBDLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000367439589 293072731 /nfs/dbraw/zinc/07/27/31/293072731.db2.gz VTAOWFGPOZPPTQ-MRXNPFEDSA-N 2 2 314.389 3.369 20 5 DGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000414854077 433882993 /nfs/dbraw/zinc/88/29/93/433882993.db2.gz UHUAYPQCALGPKC-HNNXBMFYSA-N 2 2 311.813 3.245 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000414862025 433891086 /nfs/dbraw/zinc/89/10/86/433891086.db2.gz GSNOQTLUBSUBCJ-LBPRGKRZSA-N 2 2 317.414 3.165 20 5 DGBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423185300 434271663 /nfs/dbraw/zinc/27/16/63/434271663.db2.gz NIKSBILRMJPWFV-SFHVURJKSA-N 2 2 311.385 3.026 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000423258963 434318321 /nfs/dbraw/zinc/31/83/21/434318321.db2.gz CRRSSGOTKXWWLT-TZMCWYRMSA-N 2 2 309.410 3.018 20 5 DGBDLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268289 434324939 /nfs/dbraw/zinc/32/49/39/434324939.db2.gz FVDBTGODBQJWOL-KSSFIOAISA-N 2 2 313.401 3.129 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000417299625 434350383 /nfs/dbraw/zinc/35/03/83/434350383.db2.gz NHEHTDVOBWWCTB-KRWDZBQOSA-N 2 2 314.389 3.239 20 5 DGBDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077922 434606082 /nfs/dbraw/zinc/60/60/82/434606082.db2.gz KNIZUFASJSAXRL-QGZVFWFLSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077922 434606088 /nfs/dbraw/zinc/60/60/88/434606088.db2.gz KNIZUFASJSAXRL-QGZVFWFLSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077922 434606093 /nfs/dbraw/zinc/60/60/93/434606093.db2.gz KNIZUFASJSAXRL-QGZVFWFLSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077922 434606099 /nfs/dbraw/zinc/60/60/99/434606099.db2.gz KNIZUFASJSAXRL-QGZVFWFLSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532542189 435176724 /nfs/dbraw/zinc/17/67/24/435176724.db2.gz VOTOADDVKLHCAY-IGCXYCKISA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532542189 435176729 /nfs/dbraw/zinc/17/67/29/435176729.db2.gz VOTOADDVKLHCAY-IGCXYCKISA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551566135 314566887 /nfs/dbraw/zinc/56/68/87/314566887.db2.gz YXOIIHJGHYZSAX-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000413078502 534099455 /nfs/dbraw/zinc/09/94/55/534099455.db2.gz NBFVEGPEQIFSPO-LBPRGKRZSA-N 2 2 311.345 3.088 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415091708 534886979 /nfs/dbraw/zinc/88/69/79/534886979.db2.gz ZQEGZPKRYCBUFG-IRXDYDNUSA-N 2 2 311.385 3.178 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000746666499 575467546 /nfs/dbraw/zinc/46/75/46/575467546.db2.gz OOYFMOLCQALCPG-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000746666499 575467549 /nfs/dbraw/zinc/46/75/49/575467549.db2.gz OOYFMOLCQALCPG-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587374 618803265 /nfs/dbraw/zinc/80/32/65/618803265.db2.gz QDUGEIBYKNAWGO-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587374 618803267 /nfs/dbraw/zinc/80/32/67/618803267.db2.gz QDUGEIBYKNAWGO-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000903963656 619849367 /nfs/dbraw/zinc/84/93/67/619849367.db2.gz DPUXPOPHIQZAAQ-IAQYHMDHSA-N 2 2 317.414 3.021 20 5 DGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246072 621167955 /nfs/dbraw/zinc/16/79/55/621167955.db2.gz TXMDBOPHERMDTQ-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000858246072 621167958 /nfs/dbraw/zinc/16/79/58/621167958.db2.gz TXMDBOPHERMDTQ-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000842476764 630540005 /nfs/dbraw/zinc/54/00/05/630540005.db2.gz VCBSWTNVDFPATM-AWEZNQCLSA-N 2 2 311.813 3.245 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000850439766 632153526 /nfs/dbraw/zinc/15/35/26/632153526.db2.gz OIAHQCQFOWWCFZ-MJBXVCDLSA-N 2 2 321.421 3.127 20 5 DGBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]([NH3+])CCC(C)(C)C ZINC001578481448 1191945519 /nfs/dbraw/zinc/94/55/19/1191945519.db2.gz VNXRUWIJRSNJSA-HNNXBMFYSA-N 2 2 307.438 3.223 20 5 DGBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]([NH3+])CCC(C)(C)C ZINC001578481448 1191945526 /nfs/dbraw/zinc/94/55/26/1191945526.db2.gz VNXRUWIJRSNJSA-HNNXBMFYSA-N 2 2 307.438 3.223 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001461090215 1182766527 /nfs/dbraw/zinc/76/65/27/1182766527.db2.gz ZBWMVACFKPRWMP-UHFFFAOYSA-N 2 2 314.370 3.132 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001461810023 1182858109 /nfs/dbraw/zinc/85/81/09/1182858109.db2.gz ZSLWKUONUPKZED-OOXMNIKJSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001461810023 1182858116 /nfs/dbraw/zinc/85/81/16/1182858116.db2.gz ZSLWKUONUPKZED-OOXMNIKJSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102884 1191529552 /nfs/dbraw/zinc/52/95/52/1191529552.db2.gz IVTQQFGEDHWNHI-ZJUUUORDSA-N 2 2 323.780 3.334 20 5 DGBDLP CO[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001237101806 1099968796 /nfs/dbraw/zinc/96/87/96/1099968796.db2.gz KLXYYUWLPKILOX-VQTJNVASSA-N 2 2 306.409 3.151 20 5 DGBDLP CO[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001237101806 1099968809 /nfs/dbraw/zinc/96/88/09/1099968809.db2.gz KLXYYUWLPKILOX-VQTJNVASSA-N 2 2 306.409 3.151 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000166280178 432059754 /nfs/dbraw/zinc/05/97/54/432059754.db2.gz XMLWLPXJWVTFPM-MELADBBJSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000166280178 432059755 /nfs/dbraw/zinc/05/97/55/432059755.db2.gz XMLWLPXJWVTFPM-MELADBBJSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281507 432060217 /nfs/dbraw/zinc/06/02/17/432060217.db2.gz ZHINZWBZWUOYPJ-YUTCNCBUSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281507 432060220 /nfs/dbraw/zinc/06/02/20/432060220.db2.gz ZHINZWBZWUOYPJ-YUTCNCBUSA-N 2 2 303.406 3.179 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1cccc[nH+]1 ZINC000449224279 296006978 /nfs/dbraw/zinc/00/69/78/296006978.db2.gz LEJLLAVKSQIUSF-AWEZNQCLSA-N 2 2 314.389 3.013 20 5 DGBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424368583 237895621 /nfs/dbraw/zinc/89/56/21/237895621.db2.gz APIYPYSNXDCCBV-HZPDHXFCSA-N 2 2 315.373 3.214 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000444603780 239305545 /nfs/dbraw/zinc/30/55/45/239305545.db2.gz XFLHRCHNZZYUOK-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)c1 ZINC000444603780 239305547 /nfs/dbraw/zinc/30/55/47/239305547.db2.gz XFLHRCHNZZYUOK-UHFFFAOYSA-N 2 2 317.433 3.435 20 5 DGBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123107 /nfs/dbraw/zinc/12/31/07/193123107.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123108 /nfs/dbraw/zinc/12/31/08/193123108.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123110 /nfs/dbraw/zinc/12/31/10/193123110.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 2 2 315.417 3.167 20 5 DGBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091892379 193123112 /nfs/dbraw/zinc/12/31/12/193123112.db2.gz AAHXIQCQTFFJTH-PRPGUUAMSA-N 2 2 315.417 3.167 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102595 /nfs/dbraw/zinc/10/25/95/212102595.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102599 /nfs/dbraw/zinc/10/25/99/212102599.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102601 /nfs/dbraw/zinc/10/26/01/212102601.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065230 212102602 /nfs/dbraw/zinc/10/26/02/212102602.db2.gz JMIQSDMJZUBISM-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775134 432129965 /nfs/dbraw/zinc/12/99/65/432129965.db2.gz NMSSVPCCDBGELC-YESZJQIVSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000268775134 432129970 /nfs/dbraw/zinc/12/99/70/432129970.db2.gz NMSSVPCCDBGELC-YESZJQIVSA-N 2 2 303.406 3.262 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861822 254311647 /nfs/dbraw/zinc/31/16/47/254311647.db2.gz KADQQUMLGAKRNV-QXSWTLKVSA-N 2 2 303.406 3.072 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861822 254311648 /nfs/dbraw/zinc/31/16/48/254311648.db2.gz KADQQUMLGAKRNV-QXSWTLKVSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000163780956 131343039 /nfs/dbraw/zinc/34/30/39/131343039.db2.gz NIILCYCIQYLODL-CYBMUJFWSA-N 2 2 300.362 3.143 20 5 DGBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595301759 400123617 /nfs/dbraw/zinc/12/36/17/400123617.db2.gz OMSSZMHCMFHXCK-UHFFFAOYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595301759 400123621 /nfs/dbraw/zinc/12/36/21/400123621.db2.gz OMSSZMHCMFHXCK-UHFFFAOYSA-N 2 2 309.385 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000601115041 400238217 /nfs/dbraw/zinc/23/82/17/400238217.db2.gz YEYMZDHQPVZAAV-AWEZNQCLSA-N 2 2 323.356 3.181 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277388 /nfs/dbraw/zinc/27/73/88/400277388.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277395 /nfs/dbraw/zinc/27/73/95/400277395.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277398 /nfs/dbraw/zinc/27/73/98/400277398.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206403 400277405 /nfs/dbraw/zinc/27/74/05/400277405.db2.gz VSWGIQPDMCPMLT-ABAIWWIYSA-N 2 2 311.813 3.020 20 5 DGBDLP C[N@@H+]1CCC[C@H](CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086473 400954769 /nfs/dbraw/zinc/95/47/69/400954769.db2.gz OCSZEDZUTHXLGU-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCC[C@H](CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086473 400954776 /nfs/dbraw/zinc/95/47/76/400954776.db2.gz OCSZEDZUTHXLGU-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960136 401007207 /nfs/dbraw/zinc/00/72/07/401007207.db2.gz WGEUPPIMYDPWJW-OCCSQVGLSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960136 401007211 /nfs/dbraw/zinc/00/72/11/401007211.db2.gz WGEUPPIMYDPWJW-OCCSQVGLSA-N 2 2 300.362 3.259 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594520947 401099580 /nfs/dbraw/zinc/09/95/80/401099580.db2.gz RUICPJFBACJFEY-JZXOWHBKSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594520947 401099587 /nfs/dbraw/zinc/09/95/87/401099587.db2.gz RUICPJFBACJFEY-JZXOWHBKSA-N 2 2 315.417 3.189 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)[NH3+] ZINC000594735280 401164218 /nfs/dbraw/zinc/16/42/18/401164218.db2.gz KDLKRIRTMJTOLG-UHFFFAOYSA-N 2 2 319.430 3.492 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)[NH3+] ZINC000594735280 401164224 /nfs/dbraw/zinc/16/42/24/401164224.db2.gz KDLKRIRTMJTOLG-UHFFFAOYSA-N 2 2 319.430 3.492 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170100 264168978 /nfs/dbraw/zinc/16/89/78/264168978.db2.gz MYVRHDIHNAYTST-HNNXBMFYSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347170100 264168980 /nfs/dbraw/zinc/16/89/80/264168980.db2.gz MYVRHDIHNAYTST-HNNXBMFYSA-N 2 2 315.373 3.168 20 5 DGBDLP CC1(C)C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc21 ZINC000279167715 275860335 /nfs/dbraw/zinc/86/03/35/275860335.db2.gz UNGDXADSMYHQQE-MRXNPFEDSA-N 2 2 314.389 3.194 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931854 /nfs/dbraw/zinc/93/18/54/431931854.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931856 /nfs/dbraw/zinc/93/18/56/431931856.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931858 /nfs/dbraw/zinc/93/18/58/431931858.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637320 431931861 /nfs/dbraw/zinc/93/18/61/431931861.db2.gz FDOMIAXYMNXWHT-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156427667 432596412 /nfs/dbraw/zinc/59/64/12/432596412.db2.gz HLYKFCPFXMETMU-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156427667 432596416 /nfs/dbraw/zinc/59/64/16/432596416.db2.gz HLYKFCPFXMETMU-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647842 /nfs/dbraw/zinc/64/78/42/432647842.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647847 /nfs/dbraw/zinc/64/78/47/432647847.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647851 /nfs/dbraw/zinc/64/78/51/432647851.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000158492693 432647853 /nfs/dbraw/zinc/64/78/53/432647853.db2.gz IPYBFIVIMJFHHI-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969057 432965263 /nfs/dbraw/zinc/96/52/63/432965263.db2.gz JMMUVHDSTRIYFI-UVBJJODRSA-N 2 2 303.406 3.047 20 5 DGBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658998 433774836 /nfs/dbraw/zinc/77/48/36/433774836.db2.gz MCBSITPDPMYNQY-GFCCVEGCSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658998 433774851 /nfs/dbraw/zinc/77/48/51/433774851.db2.gz MCBSITPDPMYNQY-GFCCVEGCSA-N 2 2 317.414 3.246 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175878 433843178 /nfs/dbraw/zinc/84/31/78/433843178.db2.gz NEFNFOLNYZZDIW-PBHICJAKSA-N 2 2 317.433 3.391 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175878 433843195 /nfs/dbraw/zinc/84/31/95/433843195.db2.gz NEFNFOLNYZZDIW-PBHICJAKSA-N 2 2 317.433 3.391 20 5 DGBDLP C[C@@H]1[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000433229408 433847214 /nfs/dbraw/zinc/84/72/14/433847214.db2.gz RDSMPRQXZZDQBH-DQYPLSBCSA-N 2 2 317.433 3.390 20 5 DGBDLP C[C@@H]1[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000433229408 433847221 /nfs/dbraw/zinc/84/72/21/433847221.db2.gz RDSMPRQXZZDQBH-DQYPLSBCSA-N 2 2 317.433 3.390 20 5 DGBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414851894 433883788 /nfs/dbraw/zinc/88/37/88/433883788.db2.gz QAPUEKJYZCHDFO-AWEZNQCLSA-N 2 2 317.389 3.318 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCn1cc[nH+]c1 ZINC000527288051 295089351 /nfs/dbraw/zinc/08/93/51/295089351.db2.gz CAFNZQXCTNFDRH-PTNGSMBKSA-N 2 2 314.389 3.265 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000349245216 434649475 /nfs/dbraw/zinc/64/94/75/434649475.db2.gz HDFWFQOFEQINNO-CQSZACIVSA-N 2 2 323.462 3.151 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842653 435031470 /nfs/dbraw/zinc/03/14/70/435031470.db2.gz IKPVJVGBDNHWPS-CYBMUJFWSA-N 2 2 314.389 3.285 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000556842653 435031474 /nfs/dbraw/zinc/03/14/74/435031474.db2.gz IKPVJVGBDNHWPS-CYBMUJFWSA-N 2 2 314.389 3.285 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579669288 435172451 /nfs/dbraw/zinc/17/24/51/435172451.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000579669288 435172455 /nfs/dbraw/zinc/17/24/55/435172455.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000579669288 435172458 /nfs/dbraw/zinc/17/24/58/435172458.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 2 2 303.406 3.133 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579669288 435172462 /nfs/dbraw/zinc/17/24/62/435172462.db2.gz UFLSGZSYCRHHCB-IJEWVQPXSA-N 2 2 303.406 3.133 20 5 DGBDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370560 533787233 /nfs/dbraw/zinc/78/72/33/533787233.db2.gz JJQAGVWNGRXKII-JTQLQIEISA-N 2 2 323.780 3.287 20 5 DGBDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000435370560 533787240 /nfs/dbraw/zinc/78/72/40/533787240.db2.gz JJQAGVWNGRXKII-JTQLQIEISA-N 2 2 323.780 3.287 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000435389628 534881242 /nfs/dbraw/zinc/88/12/42/534881242.db2.gz NIKWFFGISQTGBU-UHFFFAOYSA-N 2 2 317.414 3.119 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)s2)cc1 ZINC000435389628 534881244 /nfs/dbraw/zinc/88/12/44/534881244.db2.gz NIKWFFGISQTGBU-UHFFFAOYSA-N 2 2 317.414 3.119 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506016 622013125 /nfs/dbraw/zinc/01/31/25/622013125.db2.gz MAVLIXTYNMPGTG-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761506016 622013126 /nfs/dbraw/zinc/01/31/26/622013126.db2.gz MAVLIXTYNMPGTG-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087887 622797969 /nfs/dbraw/zinc/79/79/69/622797969.db2.gz LQOFNDHOBAAIAR-QWHCGFSZSA-N 2 2 309.385 3.116 20 5 DGBDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087887 622797971 /nfs/dbraw/zinc/79/79/71/622797971.db2.gz LQOFNDHOBAAIAR-QWHCGFSZSA-N 2 2 309.385 3.116 20 5 DGBDLP Cc1c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873021777 623019331 /nfs/dbraw/zinc/01/93/31/623019331.db2.gz LQLAZSPZFZFEJL-MRXNPFEDSA-N 2 2 316.405 3.304 20 5 DGBDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809755781 626947599 /nfs/dbraw/zinc/94/75/99/626947599.db2.gz KUFFZPKWIJQFMU-UHFFFAOYSA-N 2 2 313.829 3.412 20 5 DGBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809755781 626947600 /nfs/dbraw/zinc/94/76/00/626947600.db2.gz KUFFZPKWIJQFMU-UHFFFAOYSA-N 2 2 313.829 3.412 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948820 /nfs/dbraw/zinc/94/88/20/626948820.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948824 /nfs/dbraw/zinc/94/88/24/626948824.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948830 /nfs/dbraw/zinc/94/88/30/626948830.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766462 626948834 /nfs/dbraw/zinc/94/88/34/626948834.db2.gz XYFIINSNHRDQRN-FZMZJTMJSA-N 2 2 311.813 3.020 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841088918 630406850 /nfs/dbraw/zinc/40/68/50/630406850.db2.gz FYUIRIRNRGZOSQ-CYBMUJFWSA-N 2 2 309.797 3.013 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444026 655659027 /nfs/dbraw/zinc/65/90/27/655659027.db2.gz SNMLGVMFVSKPLZ-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444026 655659029 /nfs/dbraw/zinc/65/90/29/655659029.db2.gz SNMLGVMFVSKPLZ-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP CCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000093633619 662357406 /nfs/dbraw/zinc/35/74/06/662357406.db2.gz HZYJKTOYNYCGBT-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CCC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000093633619 662357410 /nfs/dbraw/zinc/35/74/10/662357410.db2.gz HZYJKTOYNYCGBT-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972718 1178836238 /nfs/dbraw/zinc/83/62/38/1178836238.db2.gz JMEILAQTWCQWOF-KBPBESRZSA-N 2 2 311.813 3.211 20 5 DGBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936323 1182630651 /nfs/dbraw/zinc/63/06/51/1182630651.db2.gz NTCWWPLCORAMMX-TZMCWYRMSA-N 2 2 323.462 3.399 20 5 DGBDLP C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936323 1182630658 /nfs/dbraw/zinc/63/06/58/1182630658.db2.gz NTCWWPLCORAMMX-TZMCWYRMSA-N 2 2 323.462 3.399 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563799 193268740 /nfs/dbraw/zinc/26/87/40/193268740.db2.gz SQPCGBTZKVIAPU-KRWDZBQOSA-N 2 2 317.433 3.354 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563799 193268742 /nfs/dbraw/zinc/26/87/42/193268742.db2.gz SQPCGBTZKVIAPU-KRWDZBQOSA-N 2 2 317.433 3.354 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000488858078 245242098 /nfs/dbraw/zinc/24/20/98/245242098.db2.gz BNWPCMZRELAICQ-CQSZACIVSA-N 2 2 303.406 3.216 20 5 DGBDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897613 194162851 /nfs/dbraw/zinc/16/28/51/194162851.db2.gz XAFZGOQKWCDPKU-ZDUSSCGKSA-N 2 2 320.418 3.252 20 5 DGBDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000105897613 194162853 /nfs/dbraw/zinc/16/28/53/194162853.db2.gz XAFZGOQKWCDPKU-ZDUSSCGKSA-N 2 2 320.418 3.252 20 5 DGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285345906 218391489 /nfs/dbraw/zinc/39/14/89/218391489.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 2 2 323.824 3.305 20 5 DGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285345906 218391491 /nfs/dbraw/zinc/39/14/91/218391491.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285345906 218391492 /nfs/dbraw/zinc/39/14/92/218391492.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285345906 218391493 /nfs/dbraw/zinc/39/14/93/218391493.db2.gz ALXHPVCFFPKVIO-NNQSOWQGSA-N 2 2 323.824 3.305 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000468637287 533408903 /nfs/dbraw/zinc/40/89/03/533408903.db2.gz HSBCXAHCGDIADH-FOWTUZBSSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000423530904 533527495 /nfs/dbraw/zinc/52/74/95/533527495.db2.gz PUFOYXBENRFWJT-JEBQAFNWSA-N 2 2 311.385 3.001 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056431 400092524 /nfs/dbraw/zinc/09/25/24/400092524.db2.gz HGIXEBUPYNVNNQ-GDBMZVCRSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056431 400092529 /nfs/dbraw/zinc/09/25/29/400092529.db2.gz HGIXEBUPYNVNNQ-GDBMZVCRSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000595396187 400139784 /nfs/dbraw/zinc/13/97/84/400139784.db2.gz YYPOWEAJPQFWKP-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000595396187 400139788 /nfs/dbraw/zinc/13/97/88/400139788.db2.gz YYPOWEAJPQFWKP-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276872 /nfs/dbraw/zinc/27/68/72/400276872.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276874 /nfs/dbraw/zinc/27/68/74/400276874.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276875 /nfs/dbraw/zinc/27/68/75/400276875.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206404 400276877 /nfs/dbraw/zinc/27/68/77/400276877.db2.gz VSWGIQPDMCPMLT-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277033 /nfs/dbraw/zinc/27/70/33/400277033.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277036 /nfs/dbraw/zinc/27/70/36/400277036.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277039 /nfs/dbraw/zinc/27/70/39/400277039.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206406 400277042 /nfs/dbraw/zinc/27/70/42/400277042.db2.gz VSWGIQPDMCPMLT-NHYWBVRUSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322893 400296085 /nfs/dbraw/zinc/29/60/85/400296085.db2.gz RYCDUKSITQBPJD-NHYWBVRUSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322893 400296087 /nfs/dbraw/zinc/29/60/87/400296087.db2.gz RYCDUKSITQBPJD-NHYWBVRUSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000151881540 400676599 /nfs/dbraw/zinc/67/65/99/400676599.db2.gz HBFQPDGXSWPKGT-HZPDHXFCSA-N 2 2 319.449 3.380 20 5 DGBDLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000156282341 400709825 /nfs/dbraw/zinc/70/98/25/400709825.db2.gz LOKZEIPUYSDZFB-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073496 400950743 /nfs/dbraw/zinc/95/07/43/400950743.db2.gz HBZFUGZAWQJIDI-SUMWQHHRSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599073496 400950748 /nfs/dbraw/zinc/95/07/48/400950748.db2.gz HBZFUGZAWQJIDI-SUMWQHHRSA-N 2 2 303.406 3.262 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599072930 400951041 /nfs/dbraw/zinc/95/10/41/400951041.db2.gz COILPYSFUZLKPZ-RHSMWYFYSA-N 2 2 315.417 3.189 20 5 DGBDLP CC[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000599022570 400929682 /nfs/dbraw/zinc/92/96/82/400929682.db2.gz RKFXNOLFGYTVJL-AWEZNQCLSA-N 2 2 314.389 3.429 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255353985 401103697 /nfs/dbraw/zinc/10/36/97/401103697.db2.gz PDHZADZMBHZKCB-GMNBZTITSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000255353985 401103700 /nfs/dbraw/zinc/10/37/00/401103700.db2.gz PDHZADZMBHZKCB-GMNBZTITSA-N 2 2 315.417 3.026 20 5 DGBDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521250 401099324 /nfs/dbraw/zinc/09/93/24/401099324.db2.gz STYGJTLTHPLQQL-HZPDHXFCSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594521250 401099330 /nfs/dbraw/zinc/09/93/30/401099330.db2.gz STYGJTLTHPLQQL-HZPDHXFCSA-N 2 2 303.406 3.010 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347070198 264152041 /nfs/dbraw/zinc/15/20/41/264152041.db2.gz AAVZKIOMDDGLAR-ZFWWWQNUSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347070198 264152045 /nfs/dbraw/zinc/15/20/45/264152045.db2.gz AAVZKIOMDDGLAR-ZFWWWQNUSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123208 274231764 /nfs/dbraw/zinc/23/17/64/274231764.db2.gz BNZFODZLUVYBPW-HOCLYGCPSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123208 274231767 /nfs/dbraw/zinc/23/17/67/274231767.db2.gz BNZFODZLUVYBPW-HOCLYGCPSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226052 274233219 /nfs/dbraw/zinc/23/32/19/274233219.db2.gz ZMBRJTSVPQNFMS-LRDDRELGSA-N 2 2 314.389 3.192 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606037 276187672 /nfs/dbraw/zinc/18/76/72/276187672.db2.gz RROXYADSZKFNDO-DOTOQJQBSA-N 2 2 303.406 3.046 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606037 276187674 /nfs/dbraw/zinc/18/76/74/276187674.db2.gz RROXYADSZKFNDO-DOTOQJQBSA-N 2 2 303.406 3.046 20 5 DGBDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173344518 432274299 /nfs/dbraw/zinc/27/42/99/432274299.db2.gz BCYJMTBBFXLNMC-OAHLLOKOSA-N 2 2 313.401 3.377 20 5 DGBDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173344518 432274303 /nfs/dbraw/zinc/27/43/03/432274303.db2.gz BCYJMTBBFXLNMC-OAHLLOKOSA-N 2 2 313.401 3.377 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265459052 432700952 /nfs/dbraw/zinc/70/09/52/432700952.db2.gz FDGJCTTVPLCHDM-LBPRGKRZSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582848 433234968 /nfs/dbraw/zinc/23/49/68/433234968.db2.gz AAQCRUMFCXMTEX-PJSAGSTRSA-N 2 2 315.417 3.045 20 5 DGBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582848 433234978 /nfs/dbraw/zinc/23/49/78/433234978.db2.gz AAQCRUMFCXMTEX-PJSAGSTRSA-N 2 2 315.417 3.045 20 5 DGBDLP [NH3+][C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238829 434306234 /nfs/dbraw/zinc/30/62/34/434306234.db2.gz JOXQONQIXUMZIW-MSOLQXFVSA-N 2 2 311.385 3.262 20 5 DGBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000424382009 434717185 /nfs/dbraw/zinc/71/71/85/434717185.db2.gz RSOVMIFJBIKSMT-HUUCEWRRSA-N 2 2 315.373 3.214 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000492068358 434909066 /nfs/dbraw/zinc/90/90/66/434909066.db2.gz ZQAOATSXMLNYCA-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000492068358 434909070 /nfs/dbraw/zinc/90/90/70/434909070.db2.gz ZQAOATSXMLNYCA-NSHDSACASA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000413042517 534884735 /nfs/dbraw/zinc/88/47/35/534884735.db2.gz MADQVCIRKHIIQD-UHFFFAOYSA-N 2 2 312.373 3.182 20 5 DGBDLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245473 619743669 /nfs/dbraw/zinc/74/36/69/619743669.db2.gz MIUIXSIOAVFBHA-UWWQBHOKSA-N 2 2 317.433 3.305 20 5 DGBDLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245473 619743671 /nfs/dbraw/zinc/74/36/71/619743671.db2.gz MIUIXSIOAVFBHA-UWWQBHOKSA-N 2 2 317.433 3.305 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000866386136 622108361 /nfs/dbraw/zinc/10/83/61/622108361.db2.gz XSABJEQAZVDLPV-SWLSCSKDSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000866386136 622108362 /nfs/dbraw/zinc/10/83/62/622108362.db2.gz XSABJEQAZVDLPV-SWLSCSKDSA-N 2 2 323.412 3.127 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000872037670 622767451 /nfs/dbraw/zinc/76/74/51/622767451.db2.gz DOWYLZSLNPONGP-AGIUHOORSA-N 2 2 323.462 3.450 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872037670 622767459 /nfs/dbraw/zinc/76/74/59/622767459.db2.gz DOWYLZSLNPONGP-AGIUHOORSA-N 2 2 323.462 3.450 20 5 DGBDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041811 622769624 /nfs/dbraw/zinc/76/96/24/622769624.db2.gz KZQNAYYYIPRAPO-LBPRGKRZSA-N 2 2 318.352 3.282 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000786811705 624955370 /nfs/dbraw/zinc/95/53/70/624955370.db2.gz LEPBZNFRMGYHLA-RBFDBLARSA-N 2 2 317.433 3.462 20 5 DGBDLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886709137 627195426 /nfs/dbraw/zinc/19/54/26/627195426.db2.gz LDZHZSNPTDGUJA-UHFFFAOYSA-N 2 2 317.433 3.354 20 5 DGBDLP CCOc1ccc([C@H](C)[NH+]2CCC([NH3+])(CC)CC2)cc1[N+](=O)[O-] ZINC000925757266 627789800 /nfs/dbraw/zinc/78/98/00/627789800.db2.gz SQZMPKMCKPXSCQ-ZDUSSCGKSA-N 2 2 321.421 3.258 20 5 DGBDLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846817480 631317527 /nfs/dbraw/zinc/31/75/27/631317527.db2.gz MFFQKRJXDGNUNS-UHFFFAOYSA-N 2 2 322.796 3.046 20 5 DGBDLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846817480 631317530 /nfs/dbraw/zinc/31/75/30/631317530.db2.gz MFFQKRJXDGNUNS-UHFFFAOYSA-N 2 2 322.796 3.046 20 5 DGBDLP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000084439869 655752942 /nfs/dbraw/zinc/75/29/42/655752942.db2.gz WXNPJDNEGMYXNX-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109337 657372433 /nfs/dbraw/zinc/37/24/33/657372433.db2.gz WHDXRBRGDIGVJO-XHDPSFHLSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109337 657372436 /nfs/dbraw/zinc/37/24/36/657372436.db2.gz WHDXRBRGDIGVJO-XHDPSFHLSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109333 657372598 /nfs/dbraw/zinc/37/25/98/657372598.db2.gz WHDXRBRGDIGVJO-ABAIWWIYSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1[NH3+] ZINC000262109333 657372603 /nfs/dbraw/zinc/37/26/03/657372603.db2.gz WHDXRBRGDIGVJO-ABAIWWIYSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001461125430 1182771696 /nfs/dbraw/zinc/77/16/96/1182771696.db2.gz GQRKNZNCXPNJFM-CYBMUJFWSA-N 2 2 317.389 3.285 20 5 DGBDLP Cc1ccc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1[N+](=O)[O-] ZINC001655123172 1195880353 /nfs/dbraw/zinc/88/03/53/1195880353.db2.gz CKQOWNPFTOIIGK-UHFFFAOYSA-N 2 2 314.389 3.016 20 5 DGBDLP O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001662350776 1196711534 /nfs/dbraw/zinc/71/15/34/1196711534.db2.gz RAJYSTSWFSOMJY-UHFFFAOYSA-N 2 2 322.368 3.113 20 5 DGBDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001205076165 1091095147 /nfs/dbraw/zinc/09/51/47/1091095147.db2.gz QEBKPNUOZHWUFE-GUYCJALGSA-N 2 2 306.413 3.095 20 5 DGBDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001205076165 1091095154 /nfs/dbraw/zinc/09/51/54/1091095154.db2.gz QEBKPNUOZHWUFE-GUYCJALGSA-N 2 2 306.413 3.095 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001173232861 1097377522 /nfs/dbraw/zinc/37/75/22/1097377522.db2.gz IMAQTQCIUIWJGQ-CQSZACIVSA-N 2 2 314.389 3.059 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653087 1104649913 /nfs/dbraw/zinc/64/99/13/1104649913.db2.gz QVWUPVHODGONHL-YJBOKZPZSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001246653087 1104649916 /nfs/dbraw/zinc/64/99/16/1104649916.db2.gz QVWUPVHODGONHL-YJBOKZPZSA-N 2 2 317.433 3.134 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000272803099 210205245 /nfs/dbraw/zinc/20/52/45/210205245.db2.gz LPSOGOWLTRMANM-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000091960206 193132206 /nfs/dbraw/zinc/13/22/06/193132206.db2.gz WXNUCEVRTQDLOK-WMLDXEAASA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000091960206 193132207 /nfs/dbraw/zinc/13/22/07/193132207.db2.gz WXNUCEVRTQDLOK-WMLDXEAASA-N 2 2 314.389 3.183 20 5 DGBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648826 244060092 /nfs/dbraw/zinc/06/00/92/244060092.db2.gz MZRCYEXJNGIXNV-RXBGNRNISA-N 2 2 317.433 3.462 20 5 DGBDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468648826 244060098 /nfs/dbraw/zinc/06/00/98/244060098.db2.gz MZRCYEXJNGIXNV-RXBGNRNISA-N 2 2 317.433 3.462 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693111 193290334 /nfs/dbraw/zinc/29/03/34/193290334.db2.gz WZZXPJPCIIBSGX-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693111 193290336 /nfs/dbraw/zinc/29/03/36/193290336.db2.gz WZZXPJPCIIBSGX-MRXNPFEDSA-N 2 2 305.422 3.067 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000468748322 533409576 /nfs/dbraw/zinc/40/95/76/533409576.db2.gz PTABGOBSXUXEKI-XLQKBUROSA-N 2 2 315.417 3.213 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000468748322 533409580 /nfs/dbraw/zinc/40/95/80/533409580.db2.gz PTABGOBSXUXEKI-XLQKBUROSA-N 2 2 315.417 3.213 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132482 /nfs/dbraw/zinc/13/24/82/400132482.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132485 /nfs/dbraw/zinc/13/24/85/400132485.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132488 /nfs/dbraw/zinc/13/24/88/400132488.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595346473 400132493 /nfs/dbraw/zinc/13/24/93/400132493.db2.gz JJYHIXORTYOBPN-IUODEOHRSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600771950 400148184 /nfs/dbraw/zinc/14/81/84/400148184.db2.gz CLANFROYPMDDAV-UHFFFAOYSA-N 2 2 323.780 3.289 20 5 DGBDLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000600771950 400148189 /nfs/dbraw/zinc/14/81/89/400148189.db2.gz CLANFROYPMDDAV-UHFFFAOYSA-N 2 2 323.780 3.289 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276928 /nfs/dbraw/zinc/27/69/28/400276928.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276931 /nfs/dbraw/zinc/27/69/31/400276931.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276932 /nfs/dbraw/zinc/27/69/32/400276932.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206615 400276934 /nfs/dbraw/zinc/27/69/34/400276934.db2.gz WYFLZIURQOAQCD-CZUORRHYSA-N 2 2 323.824 3.164 20 5 DGBDLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577831 400541273 /nfs/dbraw/zinc/54/12/73/400541273.db2.gz IDNABEFCCWTVRS-WBMJQRKESA-N 2 2 303.406 3.049 20 5 DGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cn21 ZINC000592402569 400647063 /nfs/dbraw/zinc/64/70/63/400647063.db2.gz JEUBMAHMAGVHJF-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721662 400864951 /nfs/dbraw/zinc/86/49/51/400864951.db2.gz VTJSUVJJSWIIQW-YOEHRIQHSA-N 2 2 303.406 3.031 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721662 400864959 /nfs/dbraw/zinc/86/49/59/400864959.db2.gz VTJSUVJJSWIIQW-YOEHRIQHSA-N 2 2 303.406 3.031 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc2c[nH+]ccc21 ZINC000599043466 400936353 /nfs/dbraw/zinc/93/63/53/400936353.db2.gz RZCVRFNMEQDVBW-CQSZACIVSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc2c[nH+]ccc21 ZINC000599043466 400936357 /nfs/dbraw/zinc/93/63/57/400936357.db2.gz RZCVRFNMEQDVBW-CQSZACIVSA-N 2 2 312.373 3.039 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993398 400922630 /nfs/dbraw/zinc/92/26/30/400922630.db2.gz AWLMXQMWTAMXNV-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000598993398 400922633 /nfs/dbraw/zinc/92/26/33/400922633.db2.gz AWLMXQMWTAMXNV-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc2c[nH+]ccc21 ZINC000599022072 400929358 /nfs/dbraw/zinc/92/93/58/400929358.db2.gz ITILPYMJKWOEFP-GFCCVEGCSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1c(NC[C@H]2CC[N@H+](C3CC3)C2)ccc2c[nH+]ccc21 ZINC000599022072 400929362 /nfs/dbraw/zinc/92/93/62/400929362.db2.gz ITILPYMJKWOEFP-GFCCVEGCSA-N 2 2 312.373 3.039 20 5 DGBDLP CC(C)[NH2+]C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599038798 400934280 /nfs/dbraw/zinc/93/42/80/400934280.db2.gz SWZPULKXJMWZRR-UHFFFAOYSA-N 2 2 314.389 3.110 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960527 401007285 /nfs/dbraw/zinc/00/72/85/401007285.db2.gz MGPQRAVCPHFOFW-STQMWFEESA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960527 401007290 /nfs/dbraw/zinc/00/72/90/401007290.db2.gz MGPQRAVCPHFOFW-STQMWFEESA-N 2 2 300.362 3.259 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000594738036 401165903 /nfs/dbraw/zinc/16/59/03/401165903.db2.gz ATOAQBKOFPUQBG-UHFFFAOYSA-N 2 2 315.373 3.216 20 5 DGBDLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595004006 401225506 /nfs/dbraw/zinc/22/55/06/401225506.db2.gz MJWNZIADURRBFS-CYBMUJFWSA-N 2 2 321.421 3.128 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000130617962 196096178 /nfs/dbraw/zinc/09/61/78/196096178.db2.gz GXSNXKHPTIDLFG-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+](C)C ZINC000348293493 264383772 /nfs/dbraw/zinc/38/37/72/264383772.db2.gz PICPNSQTEZESBR-QWHCGFSZSA-N 2 2 311.451 3.005 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000182970493 432247730 /nfs/dbraw/zinc/24/77/30/432247730.db2.gz AFKYWZZEMMEIAI-AWEZNQCLSA-N 2 2 302.378 3.183 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182970493 432247732 /nfs/dbraw/zinc/24/77/32/432247732.db2.gz AFKYWZZEMMEIAI-AWEZNQCLSA-N 2 2 302.378 3.183 20 5 DGBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335245 /nfs/dbraw/zinc/33/52/45/274335245.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335247 /nfs/dbraw/zinc/33/52/47/274335247.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335248 /nfs/dbraw/zinc/33/52/48/274335248.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000275065229 274335249 /nfs/dbraw/zinc/33/52/49/274335249.db2.gz JMIQSDMJZUBISM-IAQYHMDHSA-N 2 2 311.813 3.020 20 5 DGBDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829331 432321943 /nfs/dbraw/zinc/32/19/43/432321943.db2.gz GZXPFINDAJCZQM-BVGQSLNGSA-N 2 2 317.433 3.291 20 5 DGBDLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829331 432321948 /nfs/dbraw/zinc/32/19/48/432321948.db2.gz GZXPFINDAJCZQM-BVGQSLNGSA-N 2 2 317.433 3.291 20 5 DGBDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525470 432414473 /nfs/dbraw/zinc/41/44/73/432414473.db2.gz RCHAAZAQDUSULM-ZETOZRRWSA-N 2 2 311.813 3.067 20 5 DGBDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271525470 432414475 /nfs/dbraw/zinc/41/44/75/432414475.db2.gz RCHAAZAQDUSULM-ZETOZRRWSA-N 2 2 311.813 3.067 20 5 DGBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575883 /nfs/dbraw/zinc/57/58/83/433575883.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 2 2 323.824 3.166 20 5 DGBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575888 /nfs/dbraw/zinc/57/58/88/433575888.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 2 2 323.824 3.166 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575900 /nfs/dbraw/zinc/57/59/00/433575900.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 2 2 323.824 3.166 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000339429189 433575903 /nfs/dbraw/zinc/57/59/03/433575903.db2.gz PZQKFAJLAZIRNW-INIZCTEOSA-N 2 2 323.824 3.166 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292837378 433597244 /nfs/dbraw/zinc/59/72/44/433597244.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292837378 433597257 /nfs/dbraw/zinc/59/72/57/433597257.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292837378 433597266 /nfs/dbraw/zinc/59/72/66/433597266.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292837378 433597275 /nfs/dbraw/zinc/59/72/75/433597275.db2.gz AYVOLCJXQKSVHM-PBHICJAKSA-N 2 2 303.406 3.074 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000368218009 293105453 /nfs/dbraw/zinc/10/54/53/293105453.db2.gz CJPBDLLQKHWWJH-HNNXBMFYSA-N 2 2 314.389 3.075 20 5 DGBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658999 433773568 /nfs/dbraw/zinc/77/35/68/433773568.db2.gz MCBSITPDPMYNQY-LBPRGKRZSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414658999 433773579 /nfs/dbraw/zinc/77/35/79/433773579.db2.gz MCBSITPDPMYNQY-LBPRGKRZSA-N 2 2 317.414 3.246 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(C[NH3+])CCC1 ZINC000414792778 433837875 /nfs/dbraw/zinc/83/78/75/433837875.db2.gz SHXKZTWIPLQPQP-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(C[NH3+])CCC1 ZINC000414792778 433837884 /nfs/dbraw/zinc/83/78/84/433837884.db2.gz SHXKZTWIPLQPQP-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845282 /nfs/dbraw/zinc/84/52/82/433845282.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 2 2 315.417 3.026 20 5 DGBDLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845291 /nfs/dbraw/zinc/84/52/91/433845291.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845298 /nfs/dbraw/zinc/84/52/98/433845298.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729675 433845310 /nfs/dbraw/zinc/84/53/10/433845310.db2.gz USJZSQOAKXUMLW-UKTKYZJWSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000285559313 433992629 /nfs/dbraw/zinc/99/26/29/433992629.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000285559313 433992636 /nfs/dbraw/zinc/99/26/36/433992636.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000285559313 433992643 /nfs/dbraw/zinc/99/26/43/433992643.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000285559313 433992650 /nfs/dbraw/zinc/99/26/50/433992650.db2.gz HEDCFXCJHOGNQF-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554958 433995516 /nfs/dbraw/zinc/99/55/16/433995516.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285554958 433995523 /nfs/dbraw/zinc/99/55/23/433995523.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285554958 433995529 /nfs/dbraw/zinc/99/55/29/433995529.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285554958 433995535 /nfs/dbraw/zinc/99/55/35/433995535.db2.gz RCCNNCLWTHZYDO-PBWFPOADSA-N 2 2 323.824 3.305 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000470200600 435134498 /nfs/dbraw/zinc/13/44/98/435134498.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000470200600 435134501 /nfs/dbraw/zinc/13/45/01/435134501.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000470200600 435134505 /nfs/dbraw/zinc/13/45/05/435134505.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000470200600 435134508 /nfs/dbraw/zinc/13/45/08/435134508.db2.gz CADBISOUQFWTIP-MBMZNTITSA-N 2 2 315.417 3.024 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568461765 435439047 /nfs/dbraw/zinc/43/90/47/435439047.db2.gz XPAZIUIMWGRSRW-ZIAGYGMSSA-N 2 2 314.389 3.187 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576838 528211003 /nfs/dbraw/zinc/21/10/03/528211003.db2.gz YHPZDASANNGOCX-MRXNPFEDSA-N 2 2 323.437 3.187 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430576838 528211007 /nfs/dbraw/zinc/21/10/07/528211007.db2.gz YHPZDASANNGOCX-MRXNPFEDSA-N 2 2 323.437 3.187 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087102 620230711 /nfs/dbraw/zinc/23/07/11/620230711.db2.gz MQDLIOPHRHYGJP-UKRRQHHQSA-N 2 2 323.824 3.212 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000841087102 620230712 /nfs/dbraw/zinc/23/07/12/620230712.db2.gz MQDLIOPHRHYGJP-UKRRQHHQSA-N 2 2 323.824 3.212 20 5 DGBDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087886 622798154 /nfs/dbraw/zinc/79/81/54/622798154.db2.gz LQOFNDHOBAAIAR-OLZOCXBDSA-N 2 2 309.385 3.116 20 5 DGBDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087886 622798156 /nfs/dbraw/zinc/79/81/56/622798156.db2.gz LQOFNDHOBAAIAR-OLZOCXBDSA-N 2 2 309.385 3.116 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949097 /nfs/dbraw/zinc/94/90/97/626949097.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949099 /nfs/dbraw/zinc/94/90/99/626949099.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949101 /nfs/dbraw/zinc/94/91/01/626949101.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767512 626949103 /nfs/dbraw/zinc/94/91/03/626949103.db2.gz NDUYGPDBLGRYNB-UKRRQHHQSA-N 2 2 323.824 3.164 20 5 DGBDLP CC(C)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173238382 1097393745 /nfs/dbraw/zinc/39/37/45/1097393745.db2.gz QWOKDVNVRJSUKX-HNNXBMFYSA-N 2 2 319.449 3.330 20 5 DGBDLP CC(C)[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173238382 1097393751 /nfs/dbraw/zinc/39/37/51/1097393751.db2.gz QWOKDVNVRJSUKX-HNNXBMFYSA-N 2 2 319.449 3.330 20 5 DGBDLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000237169474 202175093 /nfs/dbraw/zinc/17/50/93/202175093.db2.gz LYPAFNDPGPPDSW-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000179991816 432075304 /nfs/dbraw/zinc/07/53/04/432075304.db2.gz KJDHPIAWGHIPEN-SFHVURJKSA-N 2 2 322.368 3.171 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134918912 432089338 /nfs/dbraw/zinc/08/93/38/432089338.db2.gz VWFMVXIRXDYJLF-QAPCUYQASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134918912 432089341 /nfs/dbraw/zinc/08/93/41/432089341.db2.gz VWFMVXIRXDYJLF-QAPCUYQASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134918912 432089343 /nfs/dbraw/zinc/08/93/43/432089343.db2.gz VWFMVXIRXDYJLF-QAPCUYQASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134918912 432089344 /nfs/dbraw/zinc/08/93/44/432089344.db2.gz VWFMVXIRXDYJLF-QAPCUYQASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365647 197181492 /nfs/dbraw/zinc/18/14/92/197181492.db2.gz FFOQAKXCGLSHSE-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157365647 197181495 /nfs/dbraw/zinc/18/14/95/197181495.db2.gz FFOQAKXCGLSHSE-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903454 285186416 /nfs/dbraw/zinc/18/64/16/285186416.db2.gz CTTHYIQGEDGHMJ-GQSKFBFOSA-N 2 2 317.433 3.272 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255903454 285186418 /nfs/dbraw/zinc/18/64/18/285186418.db2.gz CTTHYIQGEDGHMJ-GQSKFBFOSA-N 2 2 317.433 3.272 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861824 254311470 /nfs/dbraw/zinc/31/14/70/254311470.db2.gz KADQQUMLGAKRNV-SHRNQRGKSA-N 2 2 303.406 3.072 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344861824 254311471 /nfs/dbraw/zinc/31/14/71/254311471.db2.gz KADQQUMLGAKRNV-SHRNQRGKSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000595396193 400139091 /nfs/dbraw/zinc/13/90/91/400139091.db2.gz YYPOWEAJPQFWKP-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000595396193 400139095 /nfs/dbraw/zinc/13/90/95/400139095.db2.gz YYPOWEAJPQFWKP-WBMJQRKESA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326620 400295552 /nfs/dbraw/zinc/29/55/52/400295552.db2.gz VTVXEESUILBUNL-FZMZJTMJSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404326620 400295555 /nfs/dbraw/zinc/29/55/55/400295555.db2.gz VTVXEESUILBUNL-FZMZJTMJSA-N 2 2 311.813 3.198 20 5 DGBDLP Cc1[nH+]cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000596979704 400533112 /nfs/dbraw/zinc/53/31/12/400533112.db2.gz MBLSEXANJTVFKO-UHFFFAOYSA-N 2 2 302.378 3.047 20 5 DGBDLP Cc1[nH+]cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000596979704 400533114 /nfs/dbraw/zinc/53/31/14/400533114.db2.gz MBLSEXANJTVFKO-UHFFFAOYSA-N 2 2 302.378 3.047 20 5 DGBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577828 400541257 /nfs/dbraw/zinc/54/12/57/400541257.db2.gz IDNABEFCCWTVRS-LRDDRELGSA-N 2 2 303.406 3.049 20 5 DGBDLP Cc1[nH+]ccn1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599048992 400937760 /nfs/dbraw/zinc/93/77/60/400937760.db2.gz SBMHVBUUYQTAJS-UHFFFAOYSA-N 2 2 311.345 3.150 20 5 DGBDLP CCC[N@@H+]1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025927 400930820 /nfs/dbraw/zinc/93/08/20/400930820.db2.gz FHFHQMNLUGKKHD-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@H+]1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025927 400930826 /nfs/dbraw/zinc/93/08/26/400930826.db2.gz FHFHQMNLUGKKHD-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000615724268 401144135 /nfs/dbraw/zinc/14/41/35/401144135.db2.gz WPKAIMXUDWBJEF-RKCSUWQLSA-N 2 2 315.417 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724268 401144139 /nfs/dbraw/zinc/14/41/39/401144139.db2.gz WPKAIMXUDWBJEF-RKCSUWQLSA-N 2 2 315.417 3.072 20 5 DGBDLP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)[NH3+] ZINC000594735619 401163955 /nfs/dbraw/zinc/16/39/55/401163955.db2.gz LHFLLLUGYHCGKG-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)[NH3+] ZINC000594735619 401163960 /nfs/dbraw/zinc/16/39/60/401163960.db2.gz LHFLLLUGYHCGKG-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000594739248 401166031 /nfs/dbraw/zinc/16/60/31/401166031.db2.gz PZULDCPLUYMVMF-UHFFFAOYSA-N 2 2 315.373 3.216 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361652989 286708012 /nfs/dbraw/zinc/70/80/12/286708012.db2.gz HKUQKNQUJPBPPT-DZGCQCFKSA-N 2 2 314.389 3.328 20 5 DGBDLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069046 432154047 /nfs/dbraw/zinc/15/40/47/432154047.db2.gz MGYBRBXPVFJLCU-DQYPLSBCSA-N 2 2 303.406 3.118 20 5 DGBDLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069046 432154053 /nfs/dbraw/zinc/15/40/53/432154053.db2.gz MGYBRBXPVFJLCU-DQYPLSBCSA-N 2 2 303.406 3.118 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247361138 432225269 /nfs/dbraw/zinc/22/52/69/432225269.db2.gz HIXWXGBXWYIPAP-DYVFJYSZSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247361138 432225271 /nfs/dbraw/zinc/22/52/71/432225271.db2.gz HIXWXGBXWYIPAP-DYVFJYSZSA-N 2 2 314.389 3.183 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347070196 264150881 /nfs/dbraw/zinc/15/08/81/264150881.db2.gz AAVZKIOMDDGLAR-HIFRSBDPSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347070196 264150882 /nfs/dbraw/zinc/15/08/82/264150882.db2.gz AAVZKIOMDDGLAR-HIFRSBDPSA-N 2 2 313.357 3.204 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494902 265069756 /nfs/dbraw/zinc/06/97/56/265069756.db2.gz GRVOIQKEBKBRQG-OAHLLOKOSA-N 2 2 321.421 3.085 20 5 DGBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352494902 265069758 /nfs/dbraw/zinc/06/97/58/265069758.db2.gz GRVOIQKEBKBRQG-OAHLLOKOSA-N 2 2 321.421 3.085 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541209 265083330 /nfs/dbraw/zinc/08/33/30/265083330.db2.gz VDEXAAPVVNJTHT-SFHVURJKSA-N 2 2 317.433 3.294 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541209 265083333 /nfs/dbraw/zinc/08/33/33/265083333.db2.gz VDEXAAPVVNJTHT-SFHVURJKSA-N 2 2 317.433 3.294 20 5 DGBDLP Cc1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000265468066 432703430 /nfs/dbraw/zinc/70/34/30/432703430.db2.gz HLAFQTVMLPFRHM-UHFFFAOYSA-N 2 2 300.362 3.006 20 5 DGBDLP [NH3+]CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000230001900 432723131 /nfs/dbraw/zinc/72/31/31/432723131.db2.gz IJAWORZTRJCOCA-UHFFFAOYSA-N 2 2 305.403 3.007 20 5 DGBDLP [NH3+]CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000230001900 432723135 /nfs/dbraw/zinc/72/31/35/432723135.db2.gz IJAWORZTRJCOCA-UHFFFAOYSA-N 2 2 305.403 3.007 20 5 DGBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283089064 433659399 /nfs/dbraw/zinc/65/93/99/433659399.db2.gz LEMKIDXGHCFTFF-UHFFFAOYSA-N 2 2 309.385 3.040 20 5 DGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283089064 433659407 /nfs/dbraw/zinc/65/94/07/433659407.db2.gz LEMKIDXGHCFTFF-UHFFFAOYSA-N 2 2 309.385 3.040 20 5 DGBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666295 433779378 /nfs/dbraw/zinc/77/93/78/433779378.db2.gz WBDGYCDDVRPIHK-AWEZNQCLSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414666295 433779385 /nfs/dbraw/zinc/77/93/85/433779385.db2.gz WBDGYCDDVRPIHK-AWEZNQCLSA-N 2 2 317.414 3.246 20 5 DGBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414813867 433854259 /nfs/dbraw/zinc/85/42/59/433854259.db2.gz NAIAVASQWJPJAV-CYBMUJFWSA-N 2 2 317.389 3.462 20 5 DGBDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414814875 433860054 /nfs/dbraw/zinc/86/00/54/433860054.db2.gz OLNKFHADNSUMBX-CQSZACIVSA-N 2 2 317.389 3.462 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414949705 433929389 /nfs/dbraw/zinc/92/93/89/433929389.db2.gz GMMRNIQMBJRGRR-LRDDRELGSA-N 2 2 315.373 3.085 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000377830946 293718060 /nfs/dbraw/zinc/71/80/60/293718060.db2.gz IOLBNUATMNVYBE-OAHLLOKOSA-N 2 2 314.389 3.075 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422708986 433941359 /nfs/dbraw/zinc/94/13/59/433941359.db2.gz CPKCFGOXMQCCOJ-HIFRSBDPSA-N 2 2 321.421 3.004 20 5 DGBDLP CCc1ccc([C@@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308927 434353526 /nfs/dbraw/zinc/35/35/26/434353526.db2.gz PHGYUVMUYQRHGK-SJCJKPOMSA-N 2 2 317.389 3.024 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394408 434435664 /nfs/dbraw/zinc/43/56/64/434435664.db2.gz KVORESXMKBAGDW-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394408 434435672 /nfs/dbraw/zinc/43/56/72/434435672.db2.gz KVORESXMKBAGDW-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP C[N@@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653638 /nfs/dbraw/zinc/65/36/38/434653638.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 2 2 315.417 3.026 20 5 DGBDLP C[N@H+]1CCC[C@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653644 /nfs/dbraw/zinc/65/36/44/434653644.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653649 /nfs/dbraw/zinc/65/36/49/434653649.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167924 434653655 /nfs/dbraw/zinc/65/36/55/434653655.db2.gz USJZSQOAKXUMLW-GINYUPMKSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371880749 434765951 /nfs/dbraw/zinc/76/59/51/434765951.db2.gz ZZTHORWKOIUIKL-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000371880749 434765955 /nfs/dbraw/zinc/76/59/55/434765955.db2.gz ZZTHORWKOIUIKL-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1c([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000531938789 435129348 /nfs/dbraw/zinc/12/93/48/435129348.db2.gz SLCORCNVJFJNNU-AWEZNQCLSA-N 2 2 302.378 3.231 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000531938791 435129696 /nfs/dbraw/zinc/12/96/96/435129696.db2.gz SLCORCNVJFJNNU-CQSZACIVSA-N 2 2 302.378 3.231 20 5 DGBDLP CC(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000494450180 435195684 /nfs/dbraw/zinc/19/56/84/435195684.db2.gz CLZPMUDCBOFVTM-CQSZACIVSA-N 2 2 314.389 3.019 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532542190 435175072 /nfs/dbraw/zinc/17/50/72/435175072.db2.gz VOTOADDVKLHCAY-IIYDPXPESA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532542190 435175076 /nfs/dbraw/zinc/17/50/76/435175076.db2.gz VOTOADDVKLHCAY-IIYDPXPESA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684135 313479860 /nfs/dbraw/zinc/47/98/60/313479860.db2.gz GAGKHOXLPBMNFQ-CQSZACIVSA-N 2 2 302.378 3.231 20 5 DGBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415058131 526696551 /nfs/dbraw/zinc/69/65/51/526696551.db2.gz SOVJJMHMSOZMMO-INIZCTEOSA-N 2 2 317.389 3.318 20 5 DGBDLP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077043 528261439 /nfs/dbraw/zinc/26/14/39/528261439.db2.gz URWAROJCZIHRQR-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@H+]1CC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077043 528261446 /nfs/dbraw/zinc/26/14/46/528261446.db2.gz URWAROJCZIHRQR-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892622353 618120757 /nfs/dbraw/zinc/12/07/57/618120757.db2.gz JFHFMTCLWBTEDD-UHFFFAOYSA-N 2 2 323.824 3.212 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897978280 619202615 /nfs/dbraw/zinc/20/26/15/619202615.db2.gz NGAANSOYTOLPDT-UHFFFAOYSA-N 2 2 317.433 3.318 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCCC1 ZINC000841043826 619245835 /nfs/dbraw/zinc/24/58/35/619245835.db2.gz VOBJOEWZEFPROF-UHFFFAOYSA-N 2 2 311.813 3.390 20 5 DGBDLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057517 619707509 /nfs/dbraw/zinc/70/75/09/619707509.db2.gz CULMETLNAMOJRM-CYBMUJFWSA-N 2 2 321.421 3.128 20 5 DGBDLP CC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017635 622753785 /nfs/dbraw/zinc/75/37/85/622753785.db2.gz DEJGVOZJWSWVSW-GFCCVEGCSA-N 2 2 323.462 3.452 20 5 DGBDLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872017636 622753806 /nfs/dbraw/zinc/75/38/06/622753806.db2.gz DEJGVOZJWSWVSW-LBPRGKRZSA-N 2 2 323.462 3.452 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000872028938 622762045 /nfs/dbraw/zinc/76/20/45/622762045.db2.gz NPGPFRHLKULAST-VXGBXAGGSA-N 2 2 311.451 3.308 20 5 DGBDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041810 622769540 /nfs/dbraw/zinc/76/95/40/622769540.db2.gz KZQNAYYYIPRAPO-GFCCVEGCSA-N 2 2 318.352 3.282 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876765946 623701160 /nfs/dbraw/zinc/70/11/60/623701160.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876765946 623701162 /nfs/dbraw/zinc/70/11/62/623701162.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000876765946 623701167 /nfs/dbraw/zinc/70/11/67/623701167.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000876765946 623701169 /nfs/dbraw/zinc/70/11/69/623701169.db2.gz XMRDOEWFIAXMQF-DZGCQCFKSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876765948 623701505 /nfs/dbraw/zinc/70/15/05/623701505.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876765948 623701508 /nfs/dbraw/zinc/70/15/08/623701508.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000876765948 623701511 /nfs/dbraw/zinc/70/15/11/623701511.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 2 2 305.422 3.126 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000876765948 623701516 /nfs/dbraw/zinc/70/15/16/623701516.db2.gz XMRDOEWFIAXMQF-UKRRQHHQSA-N 2 2 305.422 3.126 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949885 /nfs/dbraw/zinc/94/98/85/626949885.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949886 /nfs/dbraw/zinc/94/98/86/626949886.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949887 /nfs/dbraw/zinc/94/98/87/626949887.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767799 626949888 /nfs/dbraw/zinc/94/98/88/626949888.db2.gz UMRWEURBJLKJFY-WBMJQRKESA-N 2 2 323.824 3.164 20 5 DGBDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560915920 1189405130 /nfs/dbraw/zinc/40/51/30/1189405130.db2.gz ADDUJGGBKSAIGK-UHFFFAOYSA-N 2 2 313.829 3.316 20 5 DGBDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560915920 1189405131 /nfs/dbraw/zinc/40/51/31/1189405131.db2.gz ADDUJGGBKSAIGK-UHFFFAOYSA-N 2 2 313.829 3.316 20 5 DGBDLP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H](C)[NH3+] ZINC001219211001 1094951028 /nfs/dbraw/zinc/95/10/28/1094951028.db2.gz ROFVZISZRISCGZ-GFCCVEGCSA-N 2 2 322.412 3.048 20 5 DGBDLP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225534 1097374563 /nfs/dbraw/zinc/37/45/63/1097374563.db2.gz DMWHHPVCEMTRIN-HNNXBMFYSA-N 2 2 319.449 3.332 20 5 DGBDLP C[NH+](C)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219202 1097971990 /nfs/dbraw/zinc/97/19/90/1097971990.db2.gz NPCGQSCGIIYIEU-UHFFFAOYSA-N 2 2 320.440 3.309 20 5 DGBDLP CC[NH+](CC)C1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254563474 1106104135 /nfs/dbraw/zinc/10/41/35/1106104135.db2.gz WXIWTSNCYMNWSP-HNNXBMFYSA-N 2 2 319.449 3.332 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001254560110 1106104450 /nfs/dbraw/zinc/10/44/50/1106104450.db2.gz PEVSUSLSECXMDO-HIFRSBDPSA-N 2 2 314.389 3.062 20 5 DGBDLP Cc1cc(NCCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272831897 210231573 /nfs/dbraw/zinc/23/15/73/210231573.db2.gz LAYKZYAYMGCDGA-UHFFFAOYSA-N 2 2 311.345 3.150 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020619 /nfs/dbraw/zinc/02/06/19/432020619.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020622 /nfs/dbraw/zinc/02/06/22/432020622.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020623 /nfs/dbraw/zinc/02/06/23/432020623.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307492 432020625 /nfs/dbraw/zinc/02/06/25/432020625.db2.gz QGJXYQFLICQJAN-OAHLLOKOSA-N 2 2 303.406 3.044 20 5 DGBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000451545538 241167226 /nfs/dbraw/zinc/16/72/26/241167226.db2.gz HPXKXLADJFFLNP-MRXNPFEDSA-N 2 2 314.389 3.061 20 5 DGBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000451545538 241167232 /nfs/dbraw/zinc/16/72/32/241167232.db2.gz HPXKXLADJFFLNP-MRXNPFEDSA-N 2 2 314.389 3.061 20 5 DGBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092165482 193169752 /nfs/dbraw/zinc/16/97/52/193169752.db2.gz OQDAMZRYBPUNDB-UHFFFAOYSA-N 2 2 305.422 3.209 20 5 DGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092165482 193169753 /nfs/dbraw/zinc/16/97/53/193169753.db2.gz OQDAMZRYBPUNDB-UHFFFAOYSA-N 2 2 305.422 3.209 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507950 400172013 /nfs/dbraw/zinc/17/20/13/400172013.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507950 400172017 /nfs/dbraw/zinc/17/20/17/400172017.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507950 400172025 /nfs/dbraw/zinc/17/20/25/400172025.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507950 400172029 /nfs/dbraw/zinc/17/20/29/400172029.db2.gz SCCLGTRPRVHGQY-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP Cc1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377498 400149781 /nfs/dbraw/zinc/14/97/81/400149781.db2.gz IRHOXUBKHVTBOB-RDJZCZTQSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377498 400149788 /nfs/dbraw/zinc/14/97/88/400149788.db2.gz IRHOXUBKHVTBOB-RDJZCZTQSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377496 400150252 /nfs/dbraw/zinc/15/02/52/400150252.db2.gz IRHOXUBKHVTBOB-DOTOQJQBSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377496 400150256 /nfs/dbraw/zinc/15/02/56/400150256.db2.gz IRHOXUBKHVTBOB-DOTOQJQBSA-N 2 2 303.406 3.010 20 5 DGBDLP C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322888 400295160 /nfs/dbraw/zinc/29/51/60/400295160.db2.gz RYCDUKSITQBPJD-ABAIWWIYSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000404322888 400295165 /nfs/dbraw/zinc/29/51/65/400295165.db2.gz RYCDUKSITQBPJD-ABAIWWIYSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326622 400295721 /nfs/dbraw/zinc/29/57/21/400295721.db2.gz VTVXEESUILBUNL-SMDDNHRTSA-N 2 2 311.813 3.198 20 5 DGBDLP C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404326622 400295725 /nfs/dbraw/zinc/29/57/25/400295725.db2.gz VTVXEESUILBUNL-SMDDNHRTSA-N 2 2 311.813 3.198 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578082 400541361 /nfs/dbraw/zinc/54/13/61/400541361.db2.gz WFMMNBHJMVUHAO-ZIAGYGMSSA-N 2 2 323.462 3.197 20 5 DGBDLP C[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000599051692 400940378 /nfs/dbraw/zinc/94/03/78/400940378.db2.gz WAVUAUSDNUWFDH-WCQYABFASA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599073958 400952313 /nfs/dbraw/zinc/95/23/13/400952313.db2.gz ODQQIYYFMPAQIX-SUMWQHHRSA-N 2 2 303.406 3.262 20 5 DGBDLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997973 400924123 /nfs/dbraw/zinc/92/41/23/400924123.db2.gz AASLVAXIOYIQFY-MRXNPFEDSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997973 400924126 /nfs/dbraw/zinc/92/41/26/400924126.db2.gz AASLVAXIOYIQFY-MRXNPFEDSA-N 2 2 303.406 3.010 20 5 DGBDLP O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc2c[nH+]ccc21 ZINC000599022073 400929543 /nfs/dbraw/zinc/92/95/43/400929543.db2.gz ITILPYMJKWOEFP-LBPRGKRZSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1c(NC[C@@H]2CC[N@H+](C3CC3)C2)ccc2c[nH+]ccc21 ZINC000599022073 400929549 /nfs/dbraw/zinc/92/95/49/400929549.db2.gz ITILPYMJKWOEFP-LBPRGKRZSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc2c[nH+]ccc21 ZINC000599023282 400929796 /nfs/dbraw/zinc/92/97/96/400929796.db2.gz DNQBOUDNYDFZDT-KBPBESRZSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc2c[nH+]ccc21 ZINC000599023282 400929803 /nfs/dbraw/zinc/92/98/03/400929803.db2.gz DNQBOUDNYDFZDT-KBPBESRZSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2c[nH+]ccc21 ZINC000599023285 400929996 /nfs/dbraw/zinc/92/99/96/400929996.db2.gz DNQBOUDNYDFZDT-UONOGXRCSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2c[nH+]ccc21 ZINC000599023285 400930002 /nfs/dbraw/zinc/93/00/02/400930002.db2.gz DNQBOUDNYDFZDT-UONOGXRCSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299472093 229139332 /nfs/dbraw/zinc/13/93/32/229139332.db2.gz BARUHKBAUGTNOR-UHFFFAOYSA-N 2 2 317.433 3.088 20 5 DGBDLP C[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000413078501 230126510 /nfs/dbraw/zinc/12/65/10/230126510.db2.gz NBFVEGPEQIFSPO-GFCCVEGCSA-N 2 2 311.345 3.088 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346497838 264042125 /nfs/dbraw/zinc/04/21/25/264042125.db2.gz UVHPHWKHZIDYCH-SUMWQHHRSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346497838 264042126 /nfs/dbraw/zinc/04/21/26/264042126.db2.gz UVHPHWKHZIDYCH-SUMWQHHRSA-N 2 2 313.357 3.204 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352857987 265200161 /nfs/dbraw/zinc/20/01/61/265200161.db2.gz MELBNLOZVQHPCB-HYXAFXHYSA-N 2 2 312.373 3.211 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000344858559 275398511 /nfs/dbraw/zinc/39/85/11/275398511.db2.gz OQXMVMBZOJKLAJ-RNQWEJQRSA-N 2 2 303.406 3.070 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000344858559 275398513 /nfs/dbraw/zinc/39/85/13/275398513.db2.gz OQXMVMBZOJKLAJ-RNQWEJQRSA-N 2 2 303.406 3.070 20 5 DGBDLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829335 432323087 /nfs/dbraw/zinc/32/30/87/432323087.db2.gz GZXPFINDAJCZQM-FSPWUOQZSA-N 2 2 317.433 3.291 20 5 DGBDLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248829335 432323089 /nfs/dbraw/zinc/32/30/89/432323089.db2.gz GZXPFINDAJCZQM-FSPWUOQZSA-N 2 2 317.433 3.291 20 5 DGBDLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000271209464 432354838 /nfs/dbraw/zinc/35/48/38/432354838.db2.gz UAAKUNDNPUSYLS-UHFFFAOYSA-N 2 2 300.362 3.006 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000277366453 432842213 /nfs/dbraw/zinc/84/22/13/432842213.db2.gz FLEJXCTZXYIFKN-CDVVCGDMSA-N 2 2 303.406 3.024 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000277366453 432842217 /nfs/dbraw/zinc/84/22/17/432842217.db2.gz FLEJXCTZXYIFKN-CDVVCGDMSA-N 2 2 303.406 3.024 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350010846 433050272 /nfs/dbraw/zinc/05/02/72/433050272.db2.gz OUXJGVJDCPRVAB-VURMDHGXSA-N 2 2 303.406 3.024 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000350010846 433050276 /nfs/dbraw/zinc/05/02/76/433050276.db2.gz OUXJGVJDCPRVAB-VURMDHGXSA-N 2 2 303.406 3.024 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000387326252 434323128 /nfs/dbraw/zinc/32/31/28/434323128.db2.gz SDUDOZTYXYJYEQ-AWEZNQCLSA-N 2 2 302.378 3.231 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512074 434463958 /nfs/dbraw/zinc/46/39/58/434463958.db2.gz UMRWFQBNLHFOEV-WFASDCNBSA-N 2 2 321.421 3.162 20 5 DGBDLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000424376623 434715117 /nfs/dbraw/zinc/71/51/17/434715117.db2.gz LCJSAQRSACTKRV-HZPDHXFCSA-N 2 2 315.373 3.214 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470974144 435135991 /nfs/dbraw/zinc/13/59/91/435135991.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470974144 435135993 /nfs/dbraw/zinc/13/59/93/435135993.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470974144 435135994 /nfs/dbraw/zinc/13/59/94/435135994.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470974144 435135997 /nfs/dbraw/zinc/13/59/97/435135997.db2.gz IUDIMXOFDISXRV-HOCLYGCPSA-N 2 2 317.433 3.320 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532542187 435176785 /nfs/dbraw/zinc/17/67/85/435176785.db2.gz VOTOADDVKLHCAY-DCGLDWPTSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532542187 435176787 /nfs/dbraw/zinc/17/67/87/435176787.db2.gz VOTOADDVKLHCAY-DCGLDWPTSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000531684134 313479747 /nfs/dbraw/zinc/47/97/47/313479747.db2.gz GAGKHOXLPBMNFQ-AWEZNQCLSA-N 2 2 302.378 3.231 20 5 DGBDLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414796670 527258136 /nfs/dbraw/zinc/25/81/36/527258136.db2.gz CEXFDJSYGTYJDS-UHFFFAOYSA-N 2 2 323.780 3.335 20 5 DGBDLP CC(C)[NH2+]C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413113605 527735268 /nfs/dbraw/zinc/73/52/68/527735268.db2.gz LIZXLNCREOZPGE-UHFFFAOYSA-N 2 2 314.389 3.110 20 5 DGBDLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414937039 528421087 /nfs/dbraw/zinc/42/10/87/528421087.db2.gz CBMNUOWUEQFYGI-GFCCVEGCSA-N 2 2 319.430 3.411 20 5 DGBDLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423282820 528534036 /nfs/dbraw/zinc/53/40/36/528534036.db2.gz WJXPQFPEJDIOSM-ROUUACIJSA-N 2 2 313.401 3.257 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000903813438 619818526 /nfs/dbraw/zinc/81/85/26/619818526.db2.gz GFLNGIARZBTVMQ-CYBMUJFWSA-N 2 2 309.435 3.140 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000903813438 619818529 /nfs/dbraw/zinc/81/85/29/619818529.db2.gz GFLNGIARZBTVMQ-CYBMUJFWSA-N 2 2 309.435 3.140 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000153947120 620626005 /nfs/dbraw/zinc/62/60/05/620626005.db2.gz SMFJUPLSVISYQE-ZDUSSCGKSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000153947120 620626007 /nfs/dbraw/zinc/62/60/07/620626007.db2.gz SMFJUPLSVISYQE-ZDUSSCGKSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000153947120 620626009 /nfs/dbraw/zinc/62/60/09/620626009.db2.gz SMFJUPLSVISYQE-ZDUSSCGKSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000153947120 620626010 /nfs/dbraw/zinc/62/60/10/620626010.db2.gz SMFJUPLSVISYQE-ZDUSSCGKSA-N 2 2 311.813 3.022 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407430 /nfs/dbraw/zinc/40/74/30/626407430.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407431 /nfs/dbraw/zinc/40/74/31/626407431.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407432 /nfs/dbraw/zinc/40/74/32/626407432.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000801519396 626407434 /nfs/dbraw/zinc/40/74/34/626407434.db2.gz NDTYGDYVWNHLSV-OCCSQVGLSA-N 2 2 309.385 3.039 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949465 /nfs/dbraw/zinc/94/94/65/626949465.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949469 /nfs/dbraw/zinc/94/94/69/626949469.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949470 /nfs/dbraw/zinc/94/94/70/626949470.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809766464 626949474 /nfs/dbraw/zinc/94/94/74/626949474.db2.gz XYFIINSNHRDQRN-SMDDNHRTSA-N 2 2 311.813 3.020 20 5 DGBDLP CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925579431 627758132 /nfs/dbraw/zinc/75/81/32/627758132.db2.gz DMABCMZVFPAAHT-VHDGCEQUSA-N 2 2 323.824 3.114 20 5 DGBDLP c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841099495 630407850 /nfs/dbraw/zinc/40/78/50/630407850.db2.gz SKBKAOHETYYYEU-KRWDZBQOSA-N 2 2 306.409 3.071 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439992 662201010 /nfs/dbraw/zinc/20/10/10/662201010.db2.gz WTQIOECLIJZFOC-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084439992 662201012 /nfs/dbraw/zinc/20/10/12/662201012.db2.gz WTQIOECLIJZFOC-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001254560109 1106104092 /nfs/dbraw/zinc/10/40/92/1106104092.db2.gz PEVSUSLSECXMDO-DZGCQCFKSA-N 2 2 314.389 3.062 20 5 DGBDLP CC(C)[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254571643 1106105960 /nfs/dbraw/zinc/10/59/60/1106105960.db2.gz ZPIQHVFNRUQZKP-HNNXBMFYSA-N 2 2 319.449 3.330 20 5 DGBDLP CC(C)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC001254571643 1106105963 /nfs/dbraw/zinc/10/59/63/1106105963.db2.gz ZPIQHVFNRUQZKP-HNNXBMFYSA-N 2 2 319.449 3.330 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC001308970081 1111502407 /nfs/dbraw/zinc/50/24/07/1111502407.db2.gz BLGFYSBPENDWRO-UHFFFAOYSA-N 2 2 307.438 3.231 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001308970081 1111502410 /nfs/dbraw/zinc/50/24/10/1111502410.db2.gz BLGFYSBPENDWRO-UHFFFAOYSA-N 2 2 307.438 3.231 20 5 DGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415073044 529616849 /nfs/dbraw/zinc/61/68/49/529616849.db2.gz YWCGTWFXJKDVJS-QGZVFWFLSA-N 2 2 317.364 3.086 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000449106959 240019363 /nfs/dbraw/zinc/01/93/63/240019363.db2.gz NYIMXTILQQGFLL-HZPDHXFCSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000449106958 240019616 /nfs/dbraw/zinc/01/96/16/240019616.db2.gz NYIMXTILQQGFLL-HOTGVXAUSA-N 2 2 319.449 3.236 20 5 DGBDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133400 240033272 /nfs/dbraw/zinc/03/32/72/240033272.db2.gz YHTMOISIRQVIAU-ZBFHGGJFSA-N 2 2 307.438 3.092 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000449285818 240111517 /nfs/dbraw/zinc/11/15/17/240111517.db2.gz SVMXIHKVRVUYIN-RHSMWYFYSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000449285818 240111520 /nfs/dbraw/zinc/11/15/20/240111520.db2.gz SVMXIHKVRVUYIN-RHSMWYFYSA-N 2 2 317.433 3.132 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779167 432133021 /nfs/dbraw/zinc/13/30/21/432133021.db2.gz PFFGSZGFPMNMKF-YSVLISHTSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000268779167 432133024 /nfs/dbraw/zinc/13/30/24/432133024.db2.gz PFFGSZGFPMNMKF-YSVLISHTSA-N 2 2 303.406 3.181 20 5 DGBDLP C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000062071140 184204506 /nfs/dbraw/zinc/20/45/06/184204506.db2.gz MMIUMHSDEJBRJP-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000272963814 210349700 /nfs/dbraw/zinc/34/97/00/210349700.db2.gz NYBIRSPFGJFTJB-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000272963814 210349702 /nfs/dbraw/zinc/34/97/02/210349702.db2.gz NYBIRSPFGJFTJB-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1c(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377499 400150244 /nfs/dbraw/zinc/15/02/44/400150244.db2.gz IRHOXUBKHVTBOB-WBVHZDCISA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000316377499 400150247 /nfs/dbraw/zinc/15/02/47/400150247.db2.gz IRHOXUBKHVTBOB-WBVHZDCISA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505236 400170017 /nfs/dbraw/zinc/17/00/17/400170017.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505236 400170019 /nfs/dbraw/zinc/17/00/19/400170019.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505236 400170022 /nfs/dbraw/zinc/17/00/22/400170022.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505236 400170026 /nfs/dbraw/zinc/17/00/26/400170026.db2.gz QZRXCJJCZSRFLN-QAPCUYQASA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611516000 400414304 /nfs/dbraw/zinc/41/43/04/400414304.db2.gz YZTQXRBJHYUHIM-GDBMZVCRSA-N 2 2 314.389 3.498 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611516000 400414308 /nfs/dbraw/zinc/41/43/08/400414308.db2.gz YZTQXRBJHYUHIM-GDBMZVCRSA-N 2 2 314.389 3.498 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718885 400399431 /nfs/dbraw/zinc/39/94/31/400399431.db2.gz FGAABFLTAGJMKC-JKSUJKDBSA-N 2 2 317.433 3.464 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718885 400399436 /nfs/dbraw/zinc/39/94/36/400399436.db2.gz FGAABFLTAGJMKC-JKSUJKDBSA-N 2 2 317.433 3.464 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc2c[nH+]ccc21 ZINC000599023287 400929734 /nfs/dbraw/zinc/92/97/34/400929734.db2.gz DNQBOUDNYDFZDT-ZIAGYGMSSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc2c[nH+]ccc21 ZINC000599023287 400929739 /nfs/dbraw/zinc/92/97/39/400929739.db2.gz DNQBOUDNYDFZDT-ZIAGYGMSSA-N 2 2 312.373 3.182 20 5 DGBDLP CC[NH+](CC)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599026215 400931130 /nfs/dbraw/zinc/93/11/30/400931130.db2.gz DARUSUPFOZBHLL-LBPRGKRZSA-N 2 2 302.378 3.285 20 5 DGBDLP CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098603 400960820 /nfs/dbraw/zinc/96/08/20/400960820.db2.gz NFFQNHXAFYKKDO-CYBMUJFWSA-N 2 2 314.389 3.428 20 5 DGBDLP CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599098603 400960825 /nfs/dbraw/zinc/96/08/25/400960825.db2.gz NFFQNHXAFYKKDO-CYBMUJFWSA-N 2 2 314.389 3.428 20 5 DGBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000182187365 432164969 /nfs/dbraw/zinc/16/49/69/432164969.db2.gz ANHQRPKIRAOYSL-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000182187365 432164973 /nfs/dbraw/zinc/16/49/73/432164973.db2.gz ANHQRPKIRAOYSL-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187365 432164977 /nfs/dbraw/zinc/16/49/77/432164977.db2.gz ANHQRPKIRAOYSL-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182187365 432164981 /nfs/dbraw/zinc/16/49/81/432164981.db2.gz ANHQRPKIRAOYSL-GFCCVEGCSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413023108 230113138 /nfs/dbraw/zinc/11/31/38/230113138.db2.gz IEEDXLJQEOBUFG-UHFFFAOYSA-N 2 2 302.378 3.143 20 5 DGBDLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413155923 230140533 /nfs/dbraw/zinc/14/05/33/230140533.db2.gz DGLSXEGIYUEDBE-AAEUAGOBSA-N 2 2 300.362 3.038 20 5 DGBDLP C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000413155923 230140539 /nfs/dbraw/zinc/14/05/39/230140539.db2.gz DGLSXEGIYUEDBE-AAEUAGOBSA-N 2 2 300.362 3.038 20 5 DGBDLP [NH3+]CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000352487773 265067138 /nfs/dbraw/zinc/06/71/38/265067138.db2.gz IWUJTWLMIWJBPK-UHFFFAOYSA-N 2 2 309.385 3.075 20 5 DGBDLP [NH3+]CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000352487773 265067139 /nfs/dbraw/zinc/06/71/39/265067139.db2.gz IWUJTWLMIWJBPK-UHFFFAOYSA-N 2 2 309.385 3.075 20 5 DGBDLP C[C@@H]1[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@@H+]1C ZINC000433229409 279126735 /nfs/dbraw/zinc/12/67/35/279126735.db2.gz RDSMPRQXZZDQBH-JLZZUVOBSA-N 2 2 317.433 3.390 20 5 DGBDLP C[C@@H]1[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC[N@H+]1C ZINC000433229409 279126737 /nfs/dbraw/zinc/12/67/37/279126737.db2.gz RDSMPRQXZZDQBH-JLZZUVOBSA-N 2 2 317.433 3.390 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836313 431500164 /nfs/dbraw/zinc/50/01/64/431500164.db2.gz GTLOBMDTWFOGGH-MRXNPFEDSA-N 2 2 317.433 3.211 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000075836313 431500168 /nfs/dbraw/zinc/50/01/68/431500168.db2.gz GTLOBMDTWFOGGH-MRXNPFEDSA-N 2 2 317.433 3.211 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963833 431945494 /nfs/dbraw/zinc/94/54/94/431945494.db2.gz ALOWVJMLTLNUTQ-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963833 431945497 /nfs/dbraw/zinc/94/54/97/431945497.db2.gz ALOWVJMLTLNUTQ-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266921610 432798733 /nfs/dbraw/zinc/79/87/33/432798733.db2.gz MGPQRAVCPHFOFW-CHWSQXEVSA-N 2 2 300.362 3.259 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000277366456 432842325 /nfs/dbraw/zinc/84/23/25/432842325.db2.gz FLEJXCTZXYIFKN-WHWKNOJMSA-N 2 2 303.406 3.024 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000277366456 432842326 /nfs/dbraw/zinc/84/23/26/432842326.db2.gz FLEJXCTZXYIFKN-WHWKNOJMSA-N 2 2 303.406 3.024 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000332462498 433008146 /nfs/dbraw/zinc/00/81/46/433008146.db2.gz PSBJDSMMYCCUSD-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000332462498 433008150 /nfs/dbraw/zinc/00/81/50/433008150.db2.gz PSBJDSMMYCCUSD-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000377830945 434010311 /nfs/dbraw/zinc/01/03/11/434010311.db2.gz IOLBNUATMNVYBE-HNNXBMFYSA-N 2 2 314.389 3.075 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCC2 ZINC000417333250 434358547 /nfs/dbraw/zinc/35/85/47/434358547.db2.gz YPDDYOONJLNNTP-KRWDZBQOSA-N 2 2 303.406 3.048 20 5 DGBDLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000423388653 434396960 /nfs/dbraw/zinc/39/69/60/434396960.db2.gz UKMYIDPWSFNVOD-CHWSQXEVSA-N 2 2 311.451 3.053 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C ZINC000349249882 434650666 /nfs/dbraw/zinc/65/06/66/434650666.db2.gz VNRMIPRKCXDTQA-OLZOCXBDSA-N 2 2 311.451 3.005 20 5 DGBDLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000492308127 434957718 /nfs/dbraw/zinc/95/77/18/434957718.db2.gz AVZQPPQHWZGQPI-UHFFFAOYSA-N 2 2 310.357 3.267 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[NH+]1CCCCC1 ZINC000468653514 435128756 /nfs/dbraw/zinc/12/87/56/435128756.db2.gz WJZBBNKNAARXCL-QINSGFPZSA-N 2 2 303.406 3.074 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000735492713 574704007 /nfs/dbraw/zinc/70/40/07/574704007.db2.gz SDMYVRZCDIGOTO-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000735492713 574704010 /nfs/dbraw/zinc/70/40/10/574704010.db2.gz SDMYVRZCDIGOTO-AWEZNQCLSA-N 2 2 320.780 3.282 20 5 DGBDLP C[C@@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891777 618392848 /nfs/dbraw/zinc/39/28/48/618392848.db2.gz KGDYYXIJOOEUJS-COXVUDFISA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891777 618392856 /nfs/dbraw/zinc/39/28/56/618392856.db2.gz KGDYYXIJOOEUJS-COXVUDFISA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245469 619743678 /nfs/dbraw/zinc/74/36/78/619743678.db2.gz MIUIXSIOAVFBHA-HFTRVMKXSA-N 2 2 317.433 3.305 20 5 DGBDLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000903245469 619743679 /nfs/dbraw/zinc/74/36/79/619743679.db2.gz MIUIXSIOAVFBHA-HFTRVMKXSA-N 2 2 317.433 3.305 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000872016023 622752948 /nfs/dbraw/zinc/75/29/48/622752948.db2.gz BSQJPVZPSOONFN-GFCCVEGCSA-N 2 2 320.418 3.254 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000841089532 630406977 /nfs/dbraw/zinc/40/69/77/630406977.db2.gz ODTOQVZYQOQWCP-GFCCVEGCSA-N 2 2 309.797 3.013 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000050444016 655658884 /nfs/dbraw/zinc/65/88/84/655658884.db2.gz BAVUASSPTZDHRP-UHFFFAOYSA-N 2 2 308.769 3.015 20 5 DGBDLP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCC[NH2+][C@H]21 ZINC001576390442 1191580249 /nfs/dbraw/zinc/58/02/49/1191580249.db2.gz OAXKBMNNEVYHMA-NWANDNLSSA-N 2 2 323.824 3.114 20 5 DGBDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC001664601222 1197019860 /nfs/dbraw/zinc/01/98/60/1197019860.db2.gz ZKKHYGWRQNGVOS-UHFFFAOYSA-N 2 2 307.438 3.457 20 5 DGBDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC001664601222 1197019863 /nfs/dbraw/zinc/01/98/63/1197019863.db2.gz ZKKHYGWRQNGVOS-UHFFFAOYSA-N 2 2 307.438 3.457 20 5 DGBDLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001648986264 1087069438 /nfs/dbraw/zinc/06/94/38/1087069438.db2.gz QRKLRAIXRVCEKY-CYBMUJFWSA-N 2 2 317.389 3.285 20 5 DGBDLP [NH3+][C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205346692 1091194838 /nfs/dbraw/zinc/19/48/38/1091194838.db2.gz DBCACGVNHSNHJD-RTBURBONSA-N 2 2 316.404 3.088 20 5 DGBDLP [NH3+][C@@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205346692 1091194844 /nfs/dbraw/zinc/19/48/44/1091194844.db2.gz DBCACGVNHSNHJD-RTBURBONSA-N 2 2 316.404 3.088 20 5 DGBDLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841402 1091375113 /nfs/dbraw/zinc/37/51/13/1091375113.db2.gz JRLCEZJUONOGIX-KBXCAEBGSA-N 2 2 320.440 3.342 20 5 DGBDLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841402 1091375123 /nfs/dbraw/zinc/37/51/23/1091375123.db2.gz JRLCEZJUONOGIX-KBXCAEBGSA-N 2 2 320.440 3.342 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000172180125 198053600 /nfs/dbraw/zinc/05/36/00/198053600.db2.gz YLTYODJXFIHKMX-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000449123207 240027624 /nfs/dbraw/zinc/02/76/24/240027624.db2.gz BNZFODZLUVYBPW-GOEBONIOSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000449123207 240027628 /nfs/dbraw/zinc/02/76/28/240027628.db2.gz BNZFODZLUVYBPW-GOEBONIOSA-N 2 2 317.433 3.132 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297964 /nfs/dbraw/zinc/29/79/64/193297964.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297965 /nfs/dbraw/zinc/29/79/65/193297965.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297967 /nfs/dbraw/zinc/29/79/67/193297967.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 2 2 317.433 3.272 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093742000 193297968 /nfs/dbraw/zinc/29/79/68/193297968.db2.gz VKMRFIZLRIGSPS-IQIBNGDESA-N 2 2 317.433 3.272 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131119 205123675 /nfs/dbraw/zinc/12/36/75/205123675.db2.gz DBKNDJGVXUIIET-XHDPSFHLSA-N 2 2 311.813 3.068 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000266131119 205123677 /nfs/dbraw/zinc/12/36/77/205123677.db2.gz DBKNDJGVXUIIET-XHDPSFHLSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000062071138 184204456 /nfs/dbraw/zinc/20/44/56/184204456.db2.gz MMIUMHSDEJBRJP-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313023 285113130 /nfs/dbraw/zinc/11/31/30/285113130.db2.gz MVGKIWIHSPSMKP-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313023 285113134 /nfs/dbraw/zinc/11/31/34/285113134.db2.gz MVGKIWIHSPSMKP-INIZCTEOSA-N 2 2 303.406 3.045 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000344816335 254308140 /nfs/dbraw/zinc/30/81/40/254308140.db2.gz CRMVOYCONJLYTM-NHXNDTTKSA-N 2 2 314.389 3.121 20 5 DGBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097568 400105489 /nfs/dbraw/zinc/10/54/89/400105489.db2.gz XQISLHZLSKMYAQ-RHSMWYFYSA-N 2 2 303.406 3.046 20 5 DGBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097568 400105494 /nfs/dbraw/zinc/10/54/94/400105494.db2.gz XQISLHZLSKMYAQ-RHSMWYFYSA-N 2 2 303.406 3.046 20 5 DGBDLP CC(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600678326 400128469 /nfs/dbraw/zinc/12/84/69/400128469.db2.gz IXZPLSIEWBWMQT-INIZCTEOSA-N 2 2 303.406 3.092 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505235 400170167 /nfs/dbraw/zinc/17/01/67/400170167.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505235 400170170 /nfs/dbraw/zinc/17/01/70/400170170.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505235 400170175 /nfs/dbraw/zinc/17/01/75/400170175.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505235 400170179 /nfs/dbraw/zinc/17/01/79/400170179.db2.gz QZRXCJJCZSRFLN-MAUKXSAKSA-N 2 2 317.433 3.382 20 5 DGBDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000589197091 400275665 /nfs/dbraw/zinc/27/56/65/400275665.db2.gz DWYIUHOWSMWDTO-UHFFFAOYSA-N 2 2 307.438 3.457 20 5 DGBDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000589197091 400275666 /nfs/dbraw/zinc/27/56/66/400275666.db2.gz DWYIUHOWSMWDTO-UHFFFAOYSA-N 2 2 307.438 3.457 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277282 /nfs/dbraw/zinc/27/72/82/400277282.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277286 /nfs/dbraw/zinc/27/72/86/400277286.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277290 /nfs/dbraw/zinc/27/72/90/400277290.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206613 400277295 /nfs/dbraw/zinc/27/72/95/400277295.db2.gz WYFLZIURQOAQCD-BBRMVZONSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)o1 ZINC000591275649 400505290 /nfs/dbraw/zinc/50/52/90/400505290.db2.gz OUWVXTBJHLDAEO-CYBMUJFWSA-N 2 2 315.373 3.087 20 5 DGBDLP Cc1c(C[NH+]2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000052005640 400714085 /nfs/dbraw/zinc/71/40/85/400714085.db2.gz GWKMLKVQAMVZKW-UHFFFAOYSA-N 2 2 317.433 3.354 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000078887974 400831313 /nfs/dbraw/zinc/83/13/13/400831313.db2.gz BOJHBFKLISZOSX-UHFFFAOYSA-N 2 2 322.368 3.129 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599142301 400975093 /nfs/dbraw/zinc/97/50/93/400975093.db2.gz SVWQUNQMHVPXGX-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599142301 400975101 /nfs/dbraw/zinc/97/51/01/400975101.db2.gz SVWQUNQMHVPXGX-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519383 401097724 /nfs/dbraw/zinc/09/77/24/401097724.db2.gz KGDYYXIJOOEUJS-JQFCIGGWSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594519383 401097728 /nfs/dbraw/zinc/09/77/28/401097728.db2.gz KGDYYXIJOOEUJS-JQFCIGGWSA-N 2 2 303.406 3.262 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956136 401206701 /nfs/dbraw/zinc/20/67/01/401206701.db2.gz HJPULEPYGSVIEK-HFQYIWAZSA-N 2 2 317.433 3.461 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956136 401206707 /nfs/dbraw/zinc/20/67/07/401206707.db2.gz HJPULEPYGSVIEK-HFQYIWAZSA-N 2 2 317.433 3.461 20 5 DGBDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595004007 401226061 /nfs/dbraw/zinc/22/60/61/401226061.db2.gz MJWNZIADURRBFS-ZDUSSCGKSA-N 2 2 321.421 3.128 20 5 DGBDLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991918 401220541 /nfs/dbraw/zinc/22/05/41/401220541.db2.gz NKPZNWNQKZKIIA-HFQYIWAZSA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[N@H+]1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594991918 401220548 /nfs/dbraw/zinc/22/05/48/401220548.db2.gz NKPZNWNQKZKIIA-HFQYIWAZSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000488858075 287152628 /nfs/dbraw/zinc/15/26/28/287152628.db2.gz BNWPCMZRELAICQ-AWEZNQCLSA-N 2 2 303.406 3.216 20 5 DGBDLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069055 432152656 /nfs/dbraw/zinc/15/26/56/432152656.db2.gz MGYBRBXPVFJLCU-ZLIFDBKOSA-N 2 2 303.406 3.118 20 5 DGBDLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000269069055 432152657 /nfs/dbraw/zinc/15/26/57/432152657.db2.gz MGYBRBXPVFJLCU-ZLIFDBKOSA-N 2 2 303.406 3.118 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000182220441 432168877 /nfs/dbraw/zinc/16/88/77/432168877.db2.gz JVWQBYFJODWFLO-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262680 432217416 /nfs/dbraw/zinc/21/74/16/432217416.db2.gz ZHINZWBZWUOYPJ-KWCYVHTRSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262680 432217422 /nfs/dbraw/zinc/21/74/22/432217422.db2.gz ZHINZWBZWUOYPJ-KWCYVHTRSA-N 2 2 303.406 3.179 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413174540 230144806 /nfs/dbraw/zinc/14/48/06/230144806.db2.gz QGDYAYVWFICQFD-UONOGXRCSA-N 2 2 314.389 3.428 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023849 264142169 /nfs/dbraw/zinc/14/21/69/264142169.db2.gz QDEBIIFYCSWIPP-HNNXBMFYSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347023849 264142171 /nfs/dbraw/zinc/14/21/71/264142171.db2.gz QDEBIIFYCSWIPP-HNNXBMFYSA-N 2 2 315.373 3.039 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606019 432392134 /nfs/dbraw/zinc/39/21/34/432392134.db2.gz RROXYADSZKFNDO-NVXWUHKLSA-N 2 2 303.406 3.046 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192606019 432392136 /nfs/dbraw/zinc/39/21/36/432392136.db2.gz RROXYADSZKFNDO-NVXWUHKLSA-N 2 2 303.406 3.046 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758436 433555566 /nfs/dbraw/zinc/55/55/66/433555566.db2.gz AAINXYFTFVAHLE-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758436 433555574 /nfs/dbraw/zinc/55/55/74/433555574.db2.gz AAINXYFTFVAHLE-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758436 433555584 /nfs/dbraw/zinc/55/55/84/433555584.db2.gz AAINXYFTFVAHLE-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758436 433555591 /nfs/dbraw/zinc/55/55/91/433555591.db2.gz AAINXYFTFVAHLE-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000367438256 293072654 /nfs/dbraw/zinc/07/26/54/293072654.db2.gz LTSJOPRNSNEZOA-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Cl)c1 ZINC000370262572 293166608 /nfs/dbraw/zinc/16/66/08/293166608.db2.gz RHYXVEDCKNVEOX-UHFFFAOYSA-N 2 2 320.780 3.071 20 5 DGBDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414834096 433867136 /nfs/dbraw/zinc/86/71/36/433867136.db2.gz GMVJWFJKBIVNBT-ZDUSSCGKSA-N 2 2 317.389 3.318 20 5 DGBDLP CCc1ccc([C@H]([NH2+]C[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423308929 434353216 /nfs/dbraw/zinc/35/32/16/434353216.db2.gz PHGYUVMUYQRHGK-YVEFUNNKSA-N 2 2 317.389 3.024 20 5 DGBDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423506451 434465281 /nfs/dbraw/zinc/46/52/81/434465281.db2.gz HTOANJVOEIIKAR-DOPJRALCSA-N 2 2 311.385 3.001 20 5 DGBDLP CC[NH+]1CCC(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000581475458 324121563 /nfs/dbraw/zinc/12/15/63/324121563.db2.gz IDMFAKCAEKKJFV-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094805 529086514 /nfs/dbraw/zinc/08/65/14/529086514.db2.gz QVPQJJJNTDZODY-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413094805 529086518 /nfs/dbraw/zinc/08/65/18/529086518.db2.gz QVPQJJJNTDZODY-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743944 618299686 /nfs/dbraw/zinc/29/96/86/618299686.db2.gz WZFMYVMNYGRADX-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743944 618299691 /nfs/dbraw/zinc/29/96/91/618299691.db2.gz WZFMYVMNYGRADX-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000786818466 624956296 /nfs/dbraw/zinc/95/62/96/624956296.db2.gz YSFUMAXFDSFREA-SZGZABIGSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000786818466 624956301 /nfs/dbraw/zinc/95/63/01/624956301.db2.gz YSFUMAXFDSFREA-SZGZABIGSA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000084439780 660344577 /nfs/dbraw/zinc/34/45/77/660344577.db2.gz BIDGXPIPADFDLC-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622609 661832022 /nfs/dbraw/zinc/83/20/22/661832022.db2.gz OFDMXMRZIGISDC-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040622609 661832024 /nfs/dbraw/zinc/83/20/24/661832024.db2.gz OFDMXMRZIGISDC-GFCCVEGCSA-N 2 2 311.813 3.068 20 5 DGBDLP C[C@H](CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+](C)C ZINC001474223284 1183885704 /nfs/dbraw/zinc/88/57/04/1183885704.db2.gz FKOVZVBENKMKSH-CYBMUJFWSA-N 2 2 317.389 3.285 20 5 DGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001560357800 1189317436 /nfs/dbraw/zinc/31/74/36/1189317436.db2.gz XNJDWBJNKUQIRE-CYBMUJFWSA-N 2 2 314.389 3.215 20 5 DGBDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841405 1091375015 /nfs/dbraw/zinc/37/50/15/1091375015.db2.gz JRLCEZJUONOGIX-KSSFIOAISA-N 2 2 320.440 3.342 20 5 DGBDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841405 1091375023 /nfs/dbraw/zinc/37/50/23/1091375023.db2.gz JRLCEZJUONOGIX-KSSFIOAISA-N 2 2 320.440 3.342 20 5 DGBDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173234372 1097378484 /nfs/dbraw/zinc/37/84/84/1097378484.db2.gz OKHMFSPDDZOJEQ-JKSUJKDBSA-N 2 2 319.449 3.236 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001202789683 1103680901 /nfs/dbraw/zinc/68/09/01/1103680901.db2.gz STYBMFNZBUVQFZ-NTCAYCPXSA-N 2 2 317.433 3.462 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001202789683 1103680906 /nfs/dbraw/zinc/68/09/06/1103680906.db2.gz STYBMFNZBUVQFZ-NTCAYCPXSA-N 2 2 317.433 3.462 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001254539705 1106098859 /nfs/dbraw/zinc/09/88/59/1106098859.db2.gz JYPVKKMODIBAAP-HZPDHXFCSA-N 2 2 319.449 3.236 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281386 432059316 /nfs/dbraw/zinc/05/93/16/432059316.db2.gz ZHINZWBZWUOYPJ-FPMFFAJLSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281386 432059319 /nfs/dbraw/zinc/05/93/19/432059319.db2.gz ZHINZWBZWUOYPJ-FPMFFAJLSA-N 2 2 303.406 3.179 20 5 DGBDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384556 238298451 /nfs/dbraw/zinc/29/84/51/238298451.db2.gz NBVSPXKUCUCUIT-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435384556 238298459 /nfs/dbraw/zinc/29/84/59/238298459.db2.gz NBVSPXKUCUCUIT-LLVKDONJSA-N 2 2 305.403 3.102 20 5 DGBDLP CC(C)C[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449078233 240007121 /nfs/dbraw/zinc/00/71/21/240007121.db2.gz XMCVFCRDRIZLTL-GDBMZVCRSA-N 2 2 307.438 3.092 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693110 193290639 /nfs/dbraw/zinc/29/06/39/193290639.db2.gz WZZXPJPCIIBSGX-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093693110 193290641 /nfs/dbraw/zinc/29/06/41/193290641.db2.gz WZZXPJPCIIBSGX-INIZCTEOSA-N 2 2 305.422 3.067 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332469691 285089129 /nfs/dbraw/zinc/08/91/29/285089129.db2.gz SEAKOCDOOBRSER-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000344858568 254311134 /nfs/dbraw/zinc/31/11/34/254311134.db2.gz OQXMVMBZOJKLAJ-XXYUJHKVSA-N 2 2 303.406 3.070 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000344858568 254311136 /nfs/dbraw/zinc/31/11/36/254311136.db2.gz OQXMVMBZOJKLAJ-XXYUJHKVSA-N 2 2 303.406 3.070 20 5 DGBDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000163780826 131338364 /nfs/dbraw/zinc/33/83/64/131338364.db2.gz NIILCYCIQYLODL-ZDUSSCGKSA-N 2 2 300.362 3.143 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056434 400092826 /nfs/dbraw/zinc/09/28/26/400092826.db2.gz HGIXEBUPYNVNNQ-ZBFHGGJFSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056434 400092828 /nfs/dbraw/zinc/09/28/28/400092828.db2.gz HGIXEBUPYNVNNQ-ZBFHGGJFSA-N 2 2 319.449 3.378 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000595328709 400128527 /nfs/dbraw/zinc/12/85/27/400128527.db2.gz YWKYDOTZCDTLIJ-CQSZACIVSA-N 2 2 321.396 3.042 20 5 DGBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000595328709 400128531 /nfs/dbraw/zinc/12/85/31/400128531.db2.gz YWKYDOTZCDTLIJ-CQSZACIVSA-N 2 2 321.396 3.042 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599072931 400950869 /nfs/dbraw/zinc/95/08/69/400950869.db2.gz COILPYSFUZLKPZ-WMLDXEAASA-N 2 2 315.417 3.189 20 5 DGBDLP CC[N@@H+]1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599033764 400933397 /nfs/dbraw/zinc/93/33/97/400933397.db2.gz CFWUQETYZIRGLF-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@H+]1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599033764 400933402 /nfs/dbraw/zinc/93/34/02/400933402.db2.gz CFWUQETYZIRGLF-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@@H+]1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991917 401221211 /nfs/dbraw/zinc/22/12/11/401221211.db2.gz NKPZNWNQKZKIIA-DNXIFWLFSA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[N@H+]1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594991917 401221215 /nfs/dbraw/zinc/22/12/15/401221215.db2.gz NKPZNWNQKZKIIA-DNXIFWLFSA-N 2 2 303.406 3.072 20 5 DGBDLP Cc1cccn2c(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)c[nH+]c12 ZINC000359798303 286382334 /nfs/dbraw/zinc/38/23/34/286382334.db2.gz MDHHESXCQPWKAU-UHFFFAOYSA-N 2 2 310.357 3.149 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292837386 287152646 /nfs/dbraw/zinc/15/26/46/287152646.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292837386 287152647 /nfs/dbraw/zinc/15/26/47/287152647.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292837386 287152648 /nfs/dbraw/zinc/15/26/48/287152648.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292837386 287152649 /nfs/dbraw/zinc/15/26/49/287152649.db2.gz AYVOLCJXQKSVHM-WMLDXEAASA-N 2 2 303.406 3.074 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044596 264146974 /nfs/dbraw/zinc/14/69/74/264146974.db2.gz NLVRSWHQTAZTEL-CYBMUJFWSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044596 264146976 /nfs/dbraw/zinc/14/69/76/264146976.db2.gz NLVRSWHQTAZTEL-CYBMUJFWSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044599 264147162 /nfs/dbraw/zinc/14/71/62/264147162.db2.gz NLVRSWHQTAZTEL-ZDUSSCGKSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347044599 264147164 /nfs/dbraw/zinc/14/71/64/264147164.db2.gz NLVRSWHQTAZTEL-ZDUSSCGKSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075632 264153065 /nfs/dbraw/zinc/15/30/65/264153065.db2.gz ULXNSZYPFXXEPV-OAHLLOKOSA-N 2 2 315.373 3.168 20 5 DGBDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347075632 264153069 /nfs/dbraw/zinc/15/30/69/264153069.db2.gz ULXNSZYPFXXEPV-OAHLLOKOSA-N 2 2 315.373 3.168 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000182832930 432233466 /nfs/dbraw/zinc/23/34/66/432233466.db2.gz DAQDUHVQCOQOCH-AWEZNQCLSA-N 2 2 314.389 3.498 20 5 DGBDLP CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444805 276001872 /nfs/dbraw/zinc/00/18/72/276001872.db2.gz QAUYDHPSVRCPPW-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000050444805 276001873 /nfs/dbraw/zinc/00/18/73/276001873.db2.gz QAUYDHPSVRCPPW-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP Cc1c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800490 /nfs/dbraw/zinc/80/04/90/431800490.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800494 /nfs/dbraw/zinc/80/04/94/431800494.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800498 /nfs/dbraw/zinc/80/04/98/431800498.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000081631229 431800503 /nfs/dbraw/zinc/80/05/03/431800503.db2.gz VLHKICZXKZCAJA-MRXNPFEDSA-N 2 2 317.433 3.067 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156427797 432596085 /nfs/dbraw/zinc/59/60/85/432596085.db2.gz HLYKFCPFXMETMU-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156427797 432596091 /nfs/dbraw/zinc/59/60/91/432596091.db2.gz HLYKFCPFXMETMU-LRDDRELGSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292837383 433597417 /nfs/dbraw/zinc/59/74/17/433597417.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292837383 433597427 /nfs/dbraw/zinc/59/74/27/433597427.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292837383 433597434 /nfs/dbraw/zinc/59/74/34/433597434.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292837383 433597444 /nfs/dbraw/zinc/59/74/44/433597444.db2.gz AYVOLCJXQKSVHM-RHSMWYFYSA-N 2 2 303.406 3.074 20 5 DGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000414854078 433883224 /nfs/dbraw/zinc/88/32/24/433883224.db2.gz UHUAYPQCALGPKC-OAHLLOKOSA-N 2 2 311.813 3.245 20 5 DGBDLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074709 434099013 /nfs/dbraw/zinc/09/90/13/434099013.db2.gz OXYKTOZLIPIKOI-CYBMUJFWSA-N 2 2 317.414 3.246 20 5 DGBDLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000346074709 434099023 /nfs/dbraw/zinc/09/90/23/434099023.db2.gz OXYKTOZLIPIKOI-CYBMUJFWSA-N 2 2 317.414 3.246 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CC1 ZINC000417357579 434365495 /nfs/dbraw/zinc/36/54/95/434365495.db2.gz RVTZVIYUYQATOK-ZDUSSCGKSA-N 2 2 323.462 3.149 20 5 DGBDLP [NH3+][C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321121 434358592 /nfs/dbraw/zinc/35/85/92/434358592.db2.gz MTNYDXDCVKVLTC-ROUUACIJSA-N 2 2 311.385 3.011 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394401 434436906 /nfs/dbraw/zinc/43/69/06/434436906.db2.gz KVORESXMKBAGDW-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397394401 434436916 /nfs/dbraw/zinc/43/69/16/434436916.db2.gz KVORESXMKBAGDW-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349383880 434698334 /nfs/dbraw/zinc/69/83/34/434698334.db2.gz MSRVHJAWZLHYAT-RVDMUPIBSA-N 2 2 314.389 3.217 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349383880 434698345 /nfs/dbraw/zinc/69/83/45/434698345.db2.gz MSRVHJAWZLHYAT-RVDMUPIBSA-N 2 2 314.389 3.217 20 5 DGBDLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077044 528254554 /nfs/dbraw/zinc/25/45/54/528254554.db2.gz URWAROJCZIHRQR-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CCC[N@H+]1CC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413077044 528254559 /nfs/dbraw/zinc/25/45/59/528254559.db2.gz URWAROJCZIHRQR-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000735492715 574704265 /nfs/dbraw/zinc/70/42/65/574704265.db2.gz SDMYVRZCDIGOTO-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000735492715 574704267 /nfs/dbraw/zinc/70/42/67/574704267.db2.gz SDMYVRZCDIGOTO-CQSZACIVSA-N 2 2 320.780 3.282 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672308 618816413 /nfs/dbraw/zinc/81/64/13/618816413.db2.gz ROXXEBMKWHENEG-UHFFFAOYSA-N 2 2 317.433 3.272 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037671 622767549 /nfs/dbraw/zinc/76/75/49/622767549.db2.gz DOWYLZSLNPONGP-AVGNSLFASA-N 2 2 323.462 3.450 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037671 622767555 /nfs/dbraw/zinc/76/75/55/622767555.db2.gz DOWYLZSLNPONGP-AVGNSLFASA-N 2 2 323.462 3.450 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000872037673 622767819 /nfs/dbraw/zinc/76/78/19/622767819.db2.gz DOWYLZSLNPONGP-RWMBFGLXSA-N 2 2 323.462 3.450 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872037673 622767824 /nfs/dbraw/zinc/76/78/24/622767824.db2.gz DOWYLZSLNPONGP-RWMBFGLXSA-N 2 2 323.462 3.450 20 5 DGBDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087888 622797983 /nfs/dbraw/zinc/79/79/83/622797983.db2.gz LQOFNDHOBAAIAR-STQMWFEESA-N 2 2 309.385 3.116 20 5 DGBDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087888 622797986 /nfs/dbraw/zinc/79/79/86/622797986.db2.gz LQOFNDHOBAAIAR-STQMWFEESA-N 2 2 309.385 3.116 20 5 DGBDLP Cc1c(C[NH2+]CCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000873038659 623022773 /nfs/dbraw/zinc/02/27/73/623022773.db2.gz UELNAMWGQPHRAT-UHFFFAOYSA-N 2 2 314.389 3.280 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950287 /nfs/dbraw/zinc/95/02/87/626950287.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950289 /nfs/dbraw/zinc/95/02/89/626950289.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950292 /nfs/dbraw/zinc/95/02/92/626950292.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767796 626950296 /nfs/dbraw/zinc/95/02/96/626950296.db2.gz UMRWEURBJLKJFY-BLLLJJGKSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864737 627952141 /nfs/dbraw/zinc/95/21/41/627952141.db2.gz CXMYINUPASWIQU-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C[NH3+] ZINC000817864737 627952147 /nfs/dbraw/zinc/95/21/47/627952147.db2.gz CXMYINUPASWIQU-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001461810040 1182858003 /nfs/dbraw/zinc/85/80/03/1182858003.db2.gz ZSLWKUONUPKZED-SHRNQRGKSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001461810040 1182858006 /nfs/dbraw/zinc/85/80/06/1182858006.db2.gz ZSLWKUONUPKZED-SHRNQRGKSA-N 2 2 303.406 3.072 20 5 DGBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001576102873 1191530007 /nfs/dbraw/zinc/53/00/07/1191530007.db2.gz IVTQQFGEDHWNHI-NXEZZACHSA-N 2 2 323.780 3.334 20 5 DGBDLP C[NH2+][C@H](C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122367 1095937959 /nfs/dbraw/zinc/93/79/59/1095937959.db2.gz VCBCZOPBEQGEHT-RDTXWAMCSA-N 2 2 313.401 3.272 20 5 DGBDLP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001173234367 1097378771 /nfs/dbraw/zinc/37/87/71/1097378771.db2.gz OKHMFSPDDZOJEQ-HZPDHXFCSA-N 2 2 319.449 3.236 20 5 DGBDLP CC(C)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173238383 1097394092 /nfs/dbraw/zinc/39/40/92/1097394092.db2.gz QWOKDVNVRJSUKX-OAHLLOKOSA-N 2 2 319.449 3.330 20 5 DGBDLP CC(C)[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC001173238383 1097394095 /nfs/dbraw/zinc/39/40/95/1097394095.db2.gz QWOKDVNVRJSUKX-OAHLLOKOSA-N 2 2 319.449 3.330 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070292 1097937472 /nfs/dbraw/zinc/93/74/72/1097937472.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070292 1097937475 /nfs/dbraw/zinc/93/74/75/1097937475.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070292 1097937479 /nfs/dbraw/zinc/93/74/79/1097937479.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 2 2 317.433 3.238 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070292 1097937482 /nfs/dbraw/zinc/93/74/82/1097937482.db2.gz PYOIDWKHIRSQJZ-OLMNPRSZSA-N 2 2 317.433 3.238 20 5 DGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000277038209 213256280 /nfs/dbraw/zinc/25/62/80/213256280.db2.gz BPXOOQMWAABWME-UHFFFAOYSA-N 2 2 322.434 3.327 20 5 DGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000277038209 213256282 /nfs/dbraw/zinc/25/62/82/213256282.db2.gz BPXOOQMWAABWME-UHFFFAOYSA-N 2 2 322.434 3.327 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356938 239041358 /nfs/dbraw/zinc/04/13/58/239041358.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441356938 239041360 /nfs/dbraw/zinc/04/13/60/239041360.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441356938 239041361 /nfs/dbraw/zinc/04/13/61/239041361.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441356938 239041368 /nfs/dbraw/zinc/04/13/68/239041368.db2.gz MSOZICYDOJJXBM-HUUCEWRRSA-N 2 2 305.422 3.462 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470974146 244198222 /nfs/dbraw/zinc/19/82/22/244198222.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470974146 244198226 /nfs/dbraw/zinc/19/82/26/244198226.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470974146 244198232 /nfs/dbraw/zinc/19/82/32/244198232.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470974146 244198237 /nfs/dbraw/zinc/19/82/37/244198237.db2.gz IUDIMXOFDISXRV-ZBFHGGJFSA-N 2 2 317.433 3.320 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799192 432136422 /nfs/dbraw/zinc/13/64/22/432136422.db2.gz XVQTXAOJKTXCFY-IMJJTQAJSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000268799192 432136426 /nfs/dbraw/zinc/13/64/26/432136426.db2.gz XVQTXAOJKTXCFY-IMJJTQAJSA-N 2 2 303.406 3.181 20 5 DGBDLP CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435390299 285103852 /nfs/dbraw/zinc/10/38/52/285103852.db2.gz AWOINZWKGZCVDK-ZDUSSCGKSA-N 2 2 311.813 3.212 20 5 DGBDLP CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435390299 285103855 /nfs/dbraw/zinc/10/38/55/285103855.db2.gz AWOINZWKGZCVDK-ZDUSSCGKSA-N 2 2 311.813 3.212 20 5 DGBDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271051261 208586380 /nfs/dbraw/zinc/58/63/80/208586380.db2.gz VTIIBZZWISJBOO-UHFFFAOYSA-N 2 2 305.422 3.208 20 5 DGBDLP Cc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271051261 208586383 /nfs/dbraw/zinc/58/63/83/208586383.db2.gz VTIIBZZWISJBOO-UHFFFAOYSA-N 2 2 305.422 3.208 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313172 197179428 /nfs/dbraw/zinc/17/94/28/197179428.db2.gz MVGKIWIHSPSMKP-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157313172 197179430 /nfs/dbraw/zinc/17/94/30/197179430.db2.gz MVGKIWIHSPSMKP-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861819 254311278 /nfs/dbraw/zinc/31/12/78/254311278.db2.gz KADQQUMLGAKRNV-OOXMNIKJSA-N 2 2 303.406 3.072 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344861819 254311280 /nfs/dbraw/zinc/31/12/80/254311280.db2.gz KADQQUMLGAKRNV-OOXMNIKJSA-N 2 2 303.406 3.072 20 5 DGBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097570 400105541 /nfs/dbraw/zinc/10/55/41/400105541.db2.gz XQISLHZLSKMYAQ-YOEHRIQHSA-N 2 2 303.406 3.046 20 5 DGBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595097570 400105544 /nfs/dbraw/zinc/10/55/44/400105544.db2.gz XQISLHZLSKMYAQ-YOEHRIQHSA-N 2 2 303.406 3.046 20 5 DGBDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128679 /nfs/dbraw/zinc/12/86/79/400128679.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 2 2 309.385 3.040 20 5 DGBDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128681 /nfs/dbraw/zinc/12/86/81/400128681.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 2 2 309.385 3.040 20 5 DGBDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128683 /nfs/dbraw/zinc/12/86/83/400128683.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 2 2 309.385 3.040 20 5 DGBDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327481 400128685 /nfs/dbraw/zinc/12/86/85/400128685.db2.gz OURVLIKCXFQJKM-HNNXBMFYSA-N 2 2 309.385 3.040 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276614 /nfs/dbraw/zinc/27/66/14/400276614.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276616 /nfs/dbraw/zinc/27/66/16/400276616.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276619 /nfs/dbraw/zinc/27/66/19/400276619.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206614 400276624 /nfs/dbraw/zinc/27/66/24/400276624.db2.gz WYFLZIURQOAQCD-CJNGLKHVSA-N 2 2 323.824 3.164 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578080 400541466 /nfs/dbraw/zinc/54/14/66/400541466.db2.gz WFMMNBHJMVUHAO-KGLIPLIRSA-N 2 2 323.462 3.197 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721451 400864834 /nfs/dbraw/zinc/86/48/34/400864834.db2.gz VTJSUVJJSWIIQW-PBHICJAKSA-N 2 2 303.406 3.031 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721451 400864840 /nfs/dbraw/zinc/86/48/40/400864840.db2.gz VTJSUVJJSWIIQW-PBHICJAKSA-N 2 2 303.406 3.031 20 5 DGBDLP C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062853 400945232 /nfs/dbraw/zinc/94/52/32/400945232.db2.gz VPOBUDASBSSWSZ-YPMHNXCESA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062853 400945237 /nfs/dbraw/zinc/94/52/37/400945237.db2.gz VPOBUDASBSSWSZ-YPMHNXCESA-N 2 2 312.373 3.180 20 5 DGBDLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997972 400924384 /nfs/dbraw/zinc/92/43/84/400924384.db2.gz AASLVAXIOYIQFY-INIZCTEOSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000598997972 400924389 /nfs/dbraw/zinc/92/43/89/400924389.db2.gz AASLVAXIOYIQFY-INIZCTEOSA-N 2 2 303.406 3.010 20 5 DGBDLP C[C@@H](C[NH+]1CCCCC1)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599021272 400928673 /nfs/dbraw/zinc/92/86/73/400928673.db2.gz GHKORXIQRCNWGL-ZDUSSCGKSA-N 2 2 314.389 3.429 20 5 DGBDLP CC(C)[N@@H+]1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599032759 400933059 /nfs/dbraw/zinc/93/30/59/400933059.db2.gz WDARCWLGQNJXKG-ZDUSSCGKSA-N 2 2 314.389 3.285 20 5 DGBDLP CC(C)[N@H+]1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599032759 400933061 /nfs/dbraw/zinc/93/30/61/400933061.db2.gz WDARCWLGQNJXKG-ZDUSSCGKSA-N 2 2 314.389 3.285 20 5 DGBDLP CC[N@H+](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599037616 400934150 /nfs/dbraw/zinc/93/41/50/400934150.db2.gz JKQXSGWHQRQFMW-UHFFFAOYSA-N 2 2 300.362 3.039 20 5 DGBDLP CC[N@@H+](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599037616 400934153 /nfs/dbraw/zinc/93/41/53/400934153.db2.gz JKQXSGWHQRQFMW-UHFFFAOYSA-N 2 2 300.362 3.039 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960135 401007716 /nfs/dbraw/zinc/00/77/16/401007716.db2.gz WGEUPPIMYDPWJW-JSGCOSHPSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960135 401007722 /nfs/dbraw/zinc/00/77/22/401007722.db2.gz WGEUPPIMYDPWJW-JSGCOSHPSA-N 2 2 300.362 3.259 20 5 DGBDLP C[N@@H+]1CCCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141821 400974699 /nfs/dbraw/zinc/97/46/99/400974699.db2.gz RSMSRWKHJOCIQB-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000599141821 400974706 /nfs/dbraw/zinc/97/47/06/400974706.db2.gz RSMSRWKHJOCIQB-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246979630 432186786 /nfs/dbraw/zinc/18/67/86/432186786.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246979630 432186788 /nfs/dbraw/zinc/18/67/88/432186788.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246979630 432186789 /nfs/dbraw/zinc/18/67/89/432186789.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246979630 432186790 /nfs/dbraw/zinc/18/67/90/432186790.db2.gz VWFMVXIRXDYJLF-MAUKXSAKSA-N 2 2 315.417 3.044 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130616438 292637444 /nfs/dbraw/zinc/63/74/44/292637444.db2.gz XIKYGXQPTYGROL-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000278222869 275038467 /nfs/dbraw/zinc/03/84/67/275038467.db2.gz JFVSQYDKXNJGFC-FGTMMUONSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000278222869 275038468 /nfs/dbraw/zinc/03/84/68/275038468.db2.gz JFVSQYDKXNJGFC-FGTMMUONSA-N 2 2 315.417 3.189 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000449106957 278220739 /nfs/dbraw/zinc/22/07/39/278220739.db2.gz NYIMXTILQQGFLL-CVEARBPZSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000152808324 278348805 /nfs/dbraw/zinc/34/88/05/278348805.db2.gz QJWJZYYCXMUEKS-CYBMUJFWSA-N 2 2 314.389 3.021 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000125210638 431917821 /nfs/dbraw/zinc/91/78/21/431917821.db2.gz OUXJGVJDCPRVAB-SOFGYWHQSA-N 2 2 303.406 3.024 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000125210638 431917823 /nfs/dbraw/zinc/91/78/23/431917823.db2.gz OUXJGVJDCPRVAB-SOFGYWHQSA-N 2 2 303.406 3.024 20 5 DGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191505236 432270518 /nfs/dbraw/zinc/27/05/18/432270518.db2.gz RMWYQKZWNZYNMA-UHFFFAOYSA-N 2 2 316.405 3.266 20 5 DGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000191505236 432270520 /nfs/dbraw/zinc/27/05/20/432270520.db2.gz RMWYQKZWNZYNMA-UHFFFAOYSA-N 2 2 316.405 3.266 20 5 DGBDLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000173311464 432272124 /nfs/dbraw/zinc/27/21/24/432272124.db2.gz VDBIGXFOPBZVIH-CYBMUJFWSA-N 2 2 310.357 3.136 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156349689 432593776 /nfs/dbraw/zinc/59/37/76/432593776.db2.gz UVHPHWKHZIDYCH-DYVFJYSZSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156349689 432593780 /nfs/dbraw/zinc/59/37/80/432593780.db2.gz UVHPHWKHZIDYCH-DYVFJYSZSA-N 2 2 313.357 3.204 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000266746952 432782735 /nfs/dbraw/zinc/78/27/35/432782735.db2.gz OWZBIJJAQZDUOK-ZDUSSCGKSA-N 2 2 300.362 3.189 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000267043620 432809183 /nfs/dbraw/zinc/80/91/83/432809183.db2.gz PKZNIMCQCSJLDR-HNNXBMFYSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000267043620 432809186 /nfs/dbraw/zinc/80/91/86/432809186.db2.gz PKZNIMCQCSJLDR-HNNXBMFYSA-N 2 2 321.396 3.184 20 5 DGBDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283418906 433721136 /nfs/dbraw/zinc/72/11/36/433721136.db2.gz FSOQRLDOTKKZCI-UHFFFAOYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283418906 433721146 /nfs/dbraw/zinc/72/11/46/433721146.db2.gz FSOQRLDOTKKZCI-UHFFFAOYSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414977633 433954881 /nfs/dbraw/zinc/95/48/81/433954881.db2.gz KFUHHUIFZNGWMH-SNVBAGLBSA-N 2 2 323.780 3.335 20 5 DGBDLP [NH3+][C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423321120 434357817 /nfs/dbraw/zinc/35/78/17/434357817.db2.gz MTNYDXDCVKVLTC-QZTJIDSGSA-N 2 2 311.385 3.011 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750328 434394240 /nfs/dbraw/zinc/39/42/40/434394240.db2.gz HRJYMOLRGBTPNQ-GDBMZVCRSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750328 434394247 /nfs/dbraw/zinc/39/42/47/434394247.db2.gz HRJYMOLRGBTPNQ-GDBMZVCRSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750328 434394253 /nfs/dbraw/zinc/39/42/53/434394253.db2.gz HRJYMOLRGBTPNQ-GDBMZVCRSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353750328 434394266 /nfs/dbraw/zinc/39/42/66/434394266.db2.gz HRJYMOLRGBTPNQ-GDBMZVCRSA-N 2 2 305.422 3.208 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245961 434650243 /nfs/dbraw/zinc/65/02/43/434650243.db2.gz IWYOEKGWFSDMCY-YDHLFZDLSA-N 2 2 321.421 3.127 20 5 DGBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349245961 434650248 /nfs/dbraw/zinc/65/02/48/434650248.db2.gz IWYOEKGWFSDMCY-YDHLFZDLSA-N 2 2 321.421 3.127 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349383878 434699963 /nfs/dbraw/zinc/69/99/63/434699963.db2.gz MSRVHJAWZLHYAT-PTNGSMBKSA-N 2 2 314.389 3.217 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349383878 434699972 /nfs/dbraw/zinc/69/99/72/434699972.db2.gz MSRVHJAWZLHYAT-PTNGSMBKSA-N 2 2 314.389 3.217 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000492068357 434909438 /nfs/dbraw/zinc/90/94/38/434909438.db2.gz ZQAOATSXMLNYCA-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000492068357 434909441 /nfs/dbraw/zinc/90/94/41/434909441.db2.gz ZQAOATSXMLNYCA-LLVKDONJSA-N 2 2 320.780 3.351 20 5 DGBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301195 435073408 /nfs/dbraw/zinc/07/34/08/435073408.db2.gz LHUWOAHANUNIMT-DYVFJYSZSA-N 2 2 317.433 3.249 20 5 DGBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000578301195 435073410 /nfs/dbraw/zinc/07/34/10/435073410.db2.gz LHUWOAHANUNIMT-DYVFJYSZSA-N 2 2 317.433 3.249 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000483273663 435506712 /nfs/dbraw/zinc/50/67/12/435506712.db2.gz UDVKXOKYOYGMEI-PTNGSMBKSA-N 2 2 317.433 3.461 20 5 DGBDLP Cc1c([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000423401284 301003555 /nfs/dbraw/zinc/00/35/55/301003555.db2.gz XNQAMMYPKZEAMU-XJKSGUPXSA-N 2 2 305.422 3.332 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000562721680 315047839 /nfs/dbraw/zinc/04/78/39/315047839.db2.gz RGKOSTFBOLCVDU-GFCCVEGCSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000562721680 315047841 /nfs/dbraw/zinc/04/78/41/315047841.db2.gz RGKOSTFBOLCVDU-GFCCVEGCSA-N 2 2 312.373 3.039 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000420290968 534346792 /nfs/dbraw/zinc/34/67/92/534346792.db2.gz MTTUXIVKDVUXRX-AWEZNQCLSA-N 2 2 317.433 3.428 20 5 DGBDLP CC(C)[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413038029 529000996 /nfs/dbraw/zinc/00/09/96/529000996.db2.gz RBNNMQJWECBYGE-UHFFFAOYSA-N 2 2 314.389 3.428 20 5 DGBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668847 618131436 /nfs/dbraw/zinc/13/14/36/618131436.db2.gz RJGHMMKGSNUCFJ-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892668847 618131439 /nfs/dbraw/zinc/13/14/39/618131439.db2.gz RJGHMMKGSNUCFJ-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000903813439 619818506 /nfs/dbraw/zinc/81/85/06/619818506.db2.gz GFLNGIARZBTVMQ-ZDUSSCGKSA-N 2 2 309.435 3.140 20 5 DGBDLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000903813439 619818508 /nfs/dbraw/zinc/81/85/08/619818508.db2.gz GFLNGIARZBTVMQ-ZDUSSCGKSA-N 2 2 309.435 3.140 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087093 620230664 /nfs/dbraw/zinc/23/06/64/620230664.db2.gz MQDLIOPHRHYGJP-DZGCQCFKSA-N 2 2 323.824 3.212 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1Cl ZINC000841087093 620230666 /nfs/dbraw/zinc/23/06/66/620230666.db2.gz MQDLIOPHRHYGJP-DZGCQCFKSA-N 2 2 323.824 3.212 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949148 /nfs/dbraw/zinc/94/91/48/626949148.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949150 /nfs/dbraw/zinc/94/91/50/626949150.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949153 /nfs/dbraw/zinc/94/91/53/626949153.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809767513 626949157 /nfs/dbraw/zinc/94/91/57/626949157.db2.gz NDUYGPDBLGRYNB-ZFWWWQNUSA-N 2 2 323.824 3.164 20 5 DGBDLP c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841099496 630408069 /nfs/dbraw/zinc/40/80/69/630408069.db2.gz SKBKAOHETYYYEU-QGZVFWFLSA-N 2 2 306.409 3.071 20 5 DGBDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841406 1091375515 /nfs/dbraw/zinc/37/55/15/1091375515.db2.gz JRLCEZJUONOGIX-RDTXWAMCSA-N 2 2 320.440 3.342 20 5 DGBDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841406 1091375527 /nfs/dbraw/zinc/37/55/27/1091375527.db2.gz JRLCEZJUONOGIX-RDTXWAMCSA-N 2 2 320.440 3.342 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001206691076 1091704159 /nfs/dbraw/zinc/70/41/59/1091704159.db2.gz BVPLFXZLEDHRMZ-GOSISDBHSA-N 2 2 317.433 3.134 20 5 DGBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001206691076 1091704166 /nfs/dbraw/zinc/70/41/66/1091704166.db2.gz BVPLFXZLEDHRMZ-GOSISDBHSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001173235701 1097379151 /nfs/dbraw/zinc/37/91/51/1097379151.db2.gz YOESTLQFJQOJCC-ZFWWWQNUSA-N 2 2 314.389 3.062 20 5 DGBDLP C[C@@H](CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[NH+](C)C ZINC001179266610 1099051895 /nfs/dbraw/zinc/05/18/95/1099051895.db2.gz RNMGDTDUYWQQNB-ZDUSSCGKSA-N 2 2 317.389 3.285 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653085 1104649755 /nfs/dbraw/zinc/64/97/55/1104649755.db2.gz QVWUPVHODGONHL-MAUKXSAKSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001246653085 1104649762 /nfs/dbraw/zinc/64/97/62/1104649762.db2.gz QVWUPVHODGONHL-MAUKXSAKSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001254539703 1106098849 /nfs/dbraw/zinc/09/88/49/1106098849.db2.gz JYPVKKMODIBAAP-CVEARBPZSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001254550710 1106101721 /nfs/dbraw/zinc/10/17/21/1106101721.db2.gz PJNPPWZTDLFMSN-HNNXBMFYSA-N 2 2 317.433 3.086 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001254560111 1106104389 /nfs/dbraw/zinc/10/43/89/1106104389.db2.gz PEVSUSLSECXMDO-UKRRQHHQSA-N 2 2 314.389 3.062 20 5 DGBDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000415073043 529611764 /nfs/dbraw/zinc/61/17/64/529611764.db2.gz YWCGTWFXJKDVJS-KRWDZBQOSA-N 2 2 317.364 3.086 20 5 DGBDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000415063916 529617050 /nfs/dbraw/zinc/61/70/50/529617050.db2.gz JCVZDQZUPPXBSV-CQSZACIVSA-N 2 2 305.403 3.008 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130616673 432027240 /nfs/dbraw/zinc/02/72/40/432027240.db2.gz XIKYGXQPTYGROL-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c1 ZINC000179991828 432075233 /nfs/dbraw/zinc/07/52/33/432075233.db2.gz KJDHPIAWGHIPEN-GOSISDBHSA-N 2 2 322.368 3.171 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134918890 432089471 /nfs/dbraw/zinc/08/94/71/432089471.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134918890 432089473 /nfs/dbraw/zinc/08/94/73/432089473.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134918890 432089476 /nfs/dbraw/zinc/08/94/76/432089476.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134918890 432089479 /nfs/dbraw/zinc/08/94/79/432089479.db2.gz VWFMVXIRXDYJLF-CRAIPNDOSA-N 2 2 315.417 3.044 20 5 DGBDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014442 /nfs/dbraw/zinc/01/44/42/284014442.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014443 /nfs/dbraw/zinc/01/44/43/284014443.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014444 /nfs/dbraw/zinc/01/44/44/284014444.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093770369 284014448 /nfs/dbraw/zinc/01/44/48/284014448.db2.gz YOMNMAICXYYTPF-INIZCTEOSA-N 2 2 319.449 3.492 20 5 DGBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648825 244059361 /nfs/dbraw/zinc/05/93/61/244059361.db2.gz MZRCYEXJNGIXNV-OTMARIDSSA-N 2 2 317.433 3.462 20 5 DGBDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468648825 244059366 /nfs/dbraw/zinc/05/93/66/244059366.db2.gz MZRCYEXJNGIXNV-OTMARIDSSA-N 2 2 317.433 3.462 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799191 432136363 /nfs/dbraw/zinc/13/63/63/432136363.db2.gz XVQTXAOJKTXCFY-CWRNSKLLSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000268799191 432136367 /nfs/dbraw/zinc/13/63/67/432136367.db2.gz XVQTXAOJKTXCFY-CWRNSKLLSA-N 2 2 303.406 3.181 20 5 DGBDLP CCC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000268832545 432144825 /nfs/dbraw/zinc/14/48/25/432144825.db2.gz RGOPJJOEGCWXJI-CJNGLKHVSA-N 2 2 302.378 3.311 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979908 207140462 /nfs/dbraw/zinc/14/04/62/207140462.db2.gz CBWXXALXAPYBRH-DETPVDSQSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979908 207140465 /nfs/dbraw/zinc/14/04/65/207140465.db2.gz CBWXXALXAPYBRH-DETPVDSQSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979912 207141143 /nfs/dbraw/zinc/14/11/43/207141143.db2.gz CBWXXALXAPYBRH-PVXIVEMSSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979912 207141148 /nfs/dbraw/zinc/14/11/48/207141148.db2.gz CBWXXALXAPYBRH-PVXIVEMSSA-N 2 2 303.406 3.037 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000337864983 253185588 /nfs/dbraw/zinc/18/55/88/253185588.db2.gz KKQAKTXHJUDCBK-UHFFFAOYSA-N 2 2 322.368 3.129 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157445527 197188288 /nfs/dbraw/zinc/18/82/88/197188288.db2.gz GFJQBUGDUZPRNI-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157445527 197188290 /nfs/dbraw/zinc/18/82/90/197188290.db2.gz GFJQBUGDUZPRNI-MRXNPFEDSA-N 2 2 303.406 3.045 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505233 400170333 /nfs/dbraw/zinc/17/03/33/400170333.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505233 400170336 /nfs/dbraw/zinc/17/03/36/400170336.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505233 400170339 /nfs/dbraw/zinc/17/03/39/400170339.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 2 2 317.433 3.382 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505233 400170341 /nfs/dbraw/zinc/17/03/41/400170341.db2.gz QZRXCJJCZSRFLN-CRAIPNDOSA-N 2 2 317.433 3.382 20 5 DGBDLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591577830 400541151 /nfs/dbraw/zinc/54/11/51/400541151.db2.gz IDNABEFCCWTVRS-MLGOLLRUSA-N 2 2 303.406 3.049 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@H+](CC3CC3)C2)ccc2c[nH+]ccc21 ZINC000599043464 400936628 /nfs/dbraw/zinc/93/66/28/400936628.db2.gz RZCVRFNMEQDVBW-AWEZNQCLSA-N 2 2 312.373 3.039 20 5 DGBDLP O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](CC3CC3)C2)ccc2c[nH+]ccc21 ZINC000599043464 400936633 /nfs/dbraw/zinc/93/66/33/400936633.db2.gz RZCVRFNMEQDVBW-AWEZNQCLSA-N 2 2 312.373 3.039 20 5 DGBDLP C[NH+]1CCC(C)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599066799 400947069 /nfs/dbraw/zinc/94/70/69/400947069.db2.gz VHXIZYMMPLCOCP-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@H](C[NH+]1CCCCC1)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599021171 400928182 /nfs/dbraw/zinc/92/81/82/400928182.db2.gz GHKORXIQRCNWGL-CYBMUJFWSA-N 2 2 314.389 3.429 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc2c[nH+]ccc21 ZINC000599019484 400928875 /nfs/dbraw/zinc/92/88/75/400928875.db2.gz MFSXUBXXACJEAL-ZBFHGGJFSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc2c[nH+]ccc21 ZINC000599019484 400928877 /nfs/dbraw/zinc/92/88/77/400928877.db2.gz MFSXUBXXACJEAL-ZBFHGGJFSA-N 2 2 312.373 3.182 20 5 DGBDLP CC[C@@H](C)[N@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038340 400934262 /nfs/dbraw/zinc/93/42/62/400934262.db2.gz OZNZWLXUHHYJQV-GFCCVEGCSA-N 2 2 302.378 3.285 20 5 DGBDLP CC[C@@H](C)[N@@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038340 400934265 /nfs/dbraw/zinc/93/42/65/400934265.db2.gz OZNZWLXUHHYJQV-GFCCVEGCSA-N 2 2 302.378 3.285 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594517994 401094626 /nfs/dbraw/zinc/09/46/26/401094626.db2.gz GBGNLQUJKLZMDX-ODEKCMFZSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594517994 401094630 /nfs/dbraw/zinc/09/46/30/401094630.db2.gz GBGNLQUJKLZMDX-ODEKCMFZSA-N 2 2 315.417 3.215 20 5 DGBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000594739840 401167624 /nfs/dbraw/zinc/16/76/24/401167624.db2.gz YTBBYXOJYOAGAV-UHFFFAOYSA-N 2 2 315.373 3.216 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067899 230125775 /nfs/dbraw/zinc/12/57/75/230125775.db2.gz XHRLWTPXGVNCQD-UONOGXRCSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000413067899 230125779 /nfs/dbraw/zinc/12/57/79/230125779.db2.gz XHRLWTPXGVNCQD-UONOGXRCSA-N 2 2 312.373 3.182 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347115804 264159751 /nfs/dbraw/zinc/15/97/51/264159751.db2.gz VMQPYZSPPQILLE-HYXAFXHYSA-N 2 2 315.417 3.072 20 5 DGBDLP CCC[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368221 431831083 /nfs/dbraw/zinc/83/10/83/431831083.db2.gz KGXQMMPWRHTRSW-UHFFFAOYSA-N 2 2 311.813 3.212 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663865 432385456 /nfs/dbraw/zinc/38/54/56/432385456.db2.gz JKVGQHSLTMAJRD-CPUCHLNUSA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000252663865 432385460 /nfs/dbraw/zinc/38/54/60/432385460.db2.gz JKVGQHSLTMAJRD-CPUCHLNUSA-N 2 2 314.389 3.435 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178442052 432737160 /nfs/dbraw/zinc/73/71/60/432737160.db2.gz YRNFPDMCHOXXQD-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178442052 432737163 /nfs/dbraw/zinc/73/71/63/432737163.db2.gz YRNFPDMCHOXXQD-UHFFFAOYSA-N 2 2 322.796 3.275 20 5 DGBDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000366278739 292930905 /nfs/dbraw/zinc/93/09/05/292930905.db2.gz CYWJVPXMEOFQSJ-CYBMUJFWSA-N 2 2 323.356 3.026 20 5 DGBDLP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000414791767 433839572 /nfs/dbraw/zinc/83/95/72/433839572.db2.gz QVRNNVRWZVDTJF-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000414791767 433839575 /nfs/dbraw/zinc/83/95/75/433839575.db2.gz QVRNNVRWZVDTJF-UHFFFAOYSA-N 2 2 315.373 3.168 20 5 DGBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845851 /nfs/dbraw/zinc/84/58/51/433845851.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 2 2 315.417 3.026 20 5 DGBDLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845858 /nfs/dbraw/zinc/84/58/58/433845858.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845865 /nfs/dbraw/zinc/84/58/65/433845865.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293729677 433845873 /nfs/dbraw/zinc/84/58/73/433845873.db2.gz USJZSQOAKXUMLW-WEBJUUICSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000414853339 433881308 /nfs/dbraw/zinc/88/13/08/433881308.db2.gz XOJVPNXWGSMBAQ-GFCCVEGCSA-N 2 2 317.414 3.165 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000285746837 434055499 /nfs/dbraw/zinc/05/54/99/434055499.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000285746837 434055512 /nfs/dbraw/zinc/05/55/12/434055512.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP C[NH+](CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000285746837 434055522 /nfs/dbraw/zinc/05/55/22/434055522.db2.gz RJPQCWWEZSMPLA-UHFFFAOYSA-N 2 2 317.389 3.142 20 5 DGBDLP [NH3+][C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423238831 434302938 /nfs/dbraw/zinc/30/29/38/434302938.db2.gz JOXQONQIXUMZIW-ROUUACIJSA-N 2 2 311.385 3.262 20 5 DGBDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077921 434606220 /nfs/dbraw/zinc/60/62/20/434606220.db2.gz KNIZUFASJSAXRL-KRWDZBQOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077921 434606228 /nfs/dbraw/zinc/60/62/28/434606228.db2.gz KNIZUFASJSAXRL-KRWDZBQOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077921 434606230 /nfs/dbraw/zinc/60/62/30/434606230.db2.gz KNIZUFASJSAXRL-KRWDZBQOSA-N 2 2 317.433 3.067 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000354077921 434606236 /nfs/dbraw/zinc/60/62/36/434606236.db2.gz KNIZUFASJSAXRL-KRWDZBQOSA-N 2 2 317.433 3.067 20 5 DGBDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000372675562 434845800 /nfs/dbraw/zinc/84/58/00/434845800.db2.gz QBDCGOOAPKLKDM-CYBMUJFWSA-N 2 2 314.389 3.021 20 5 DGBDLP CCC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240064 435152414 /nfs/dbraw/zinc/15/24/14/435152414.db2.gz GNVDNJUIJYJBFP-WMLDXEAASA-N 2 2 305.422 3.367 20 5 DGBDLP CCC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000532240064 435152420 /nfs/dbraw/zinc/15/24/20/435152420.db2.gz GNVDNJUIJYJBFP-WMLDXEAASA-N 2 2 305.422 3.367 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000564508160 315179721 /nfs/dbraw/zinc/17/97/21/315179721.db2.gz BJXQWNIUQAHQLH-RRQGHBQHSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000564508160 315179723 /nfs/dbraw/zinc/17/97/23/315179723.db2.gz BJXQWNIUQAHQLH-RRQGHBQHSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156435680 525708099 /nfs/dbraw/zinc/70/80/99/525708099.db2.gz HIXWXGBXWYIPAP-SUMWQHHRSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000156435680 525708108 /nfs/dbraw/zinc/70/81/08/525708108.db2.gz HIXWXGBXWYIPAP-SUMWQHHRSA-N 2 2 314.389 3.183 20 5 DGBDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415059990 526696610 /nfs/dbraw/zinc/69/66/10/526696610.db2.gz VSOHKHSSZPHLBM-INIZCTEOSA-N 2 2 317.389 3.318 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751482163 575786612 /nfs/dbraw/zinc/78/66/12/575786612.db2.gz HQBXZTBITHGOSX-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482163 575786615 /nfs/dbraw/zinc/78/66/15/575786615.db2.gz HQBXZTBITHGOSX-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743943 618299968 /nfs/dbraw/zinc/29/99/68/618299968.db2.gz WZFMYVMNYGRADX-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892743943 618299974 /nfs/dbraw/zinc/29/99/74/618299974.db2.gz WZFMYVMNYGRADX-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385731 622108046 /nfs/dbraw/zinc/10/80/46/622108046.db2.gz PXQCPOGKYDACFH-DOMZBBRYSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385731 622108047 /nfs/dbraw/zinc/10/80/47/622108047.db2.gz PXQCPOGKYDACFH-DOMZBBRYSA-N 2 2 323.412 3.127 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000872016025 622752542 /nfs/dbraw/zinc/75/25/42/622752542.db2.gz BSQJPVZPSOONFN-LBPRGKRZSA-N 2 2 320.418 3.254 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000872021160 622756561 /nfs/dbraw/zinc/75/65/61/622756561.db2.gz NQOUHHSPEGVRIR-RYUDHWBXSA-N 2 2 320.418 3.253 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407303 /nfs/dbraw/zinc/40/73/03/626407303.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407304 /nfs/dbraw/zinc/40/73/04/626407304.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407306 /nfs/dbraw/zinc/40/73/06/626407306.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519394 626407307 /nfs/dbraw/zinc/40/73/07/626407307.db2.gz NDTYGDYVWNHLSV-GXTWGEPZSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407372 /nfs/dbraw/zinc/40/73/72/626407372.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407374 /nfs/dbraw/zinc/40/73/74/626407374.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407375 /nfs/dbraw/zinc/40/73/75/626407375.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000801519395 626407377 /nfs/dbraw/zinc/40/73/77/626407377.db2.gz NDTYGDYVWNHLSV-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931354399 656213421 /nfs/dbraw/zinc/21/34/21/656213421.db2.gz KRDHNKQWOYYKPC-AWEZNQCLSA-N 2 2 305.422 3.380 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001334972722 1178836184 /nfs/dbraw/zinc/83/61/84/1178836184.db2.gz JMEILAQTWCQWOF-UONOGXRCSA-N 2 2 311.813 3.211 20 5 DGBDLP CC[NH+](CC)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225535 1097374973 /nfs/dbraw/zinc/37/49/73/1097374973.db2.gz DMWHHPVCEMTRIN-OAHLLOKOSA-N 2 2 319.449 3.332 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001202789684 1103680828 /nfs/dbraw/zinc/68/08/28/1103680828.db2.gz STYBMFNZBUVQFZ-QINSGFPZSA-N 2 2 317.433 3.462 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC001202789684 1103680835 /nfs/dbraw/zinc/68/08/35/1103680835.db2.gz STYBMFNZBUVQFZ-QINSGFPZSA-N 2 2 317.433 3.462 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615879 1104630086 /nfs/dbraw/zinc/63/00/86/1104630086.db2.gz UCXFCPHMNFCDTJ-YJBOKZPZSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246615879 1104630087 /nfs/dbraw/zinc/63/00/87/1104630087.db2.gz UCXFCPHMNFCDTJ-YJBOKZPZSA-N 2 2 317.433 3.134 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001254563876 1106104296 /nfs/dbraw/zinc/10/42/96/1106104296.db2.gz FTJUJHYQCIJELB-CQSZACIVSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001254563876 1106104299 /nfs/dbraw/zinc/10/42/99/1106104299.db2.gz FTJUJHYQCIJELB-CQSZACIVSA-N 2 2 317.433 3.084 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648439 185331415 /nfs/dbraw/zinc/33/14/15/185331415.db2.gz YQEOMGGBXUGUON-HWKANZROSA-N 2 2 312.373 3.142 20 5 DGBDLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020089 /nfs/dbraw/zinc/02/00/89/432020089.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020091 /nfs/dbraw/zinc/02/00/91/432020091.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020092 /nfs/dbraw/zinc/02/00/92/432020092.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130307687 432020093 /nfs/dbraw/zinc/02/00/93/432020093.db2.gz QGJXYQFLICQJAN-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025793 213249025 /nfs/dbraw/zinc/24/90/25/213249025.db2.gz AUROWDHZOOUSDJ-ZDUSSCGKSA-N 2 2 311.813 3.164 20 5 DGBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025793 213249029 /nfs/dbraw/zinc/24/90/29/213249029.db2.gz AUROWDHZOOUSDJ-ZDUSSCGKSA-N 2 2 311.813 3.164 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293087 /nfs/dbraw/zinc/29/30/87/192293087.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293089 /nfs/dbraw/zinc/29/30/89/192293089.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293090 /nfs/dbraw/zinc/29/30/90/192293090.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000081568997 192293092 /nfs/dbraw/zinc/29/30/92/192293092.db2.gz NZNKRMGOIRMGCF-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP CC(C)[NH2+]C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179832571 199085777 /nfs/dbraw/zinc/08/57/77/199085777.db2.gz HPWJFNSSTWCUGQ-FNORWQNLSA-N 2 2 303.406 3.070 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246531457 432142243 /nfs/dbraw/zinc/14/22/43/432142243.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246531457 432142245 /nfs/dbraw/zinc/14/22/45/432142245.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246531457 432142247 /nfs/dbraw/zinc/14/22/47/432142247.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246531457 432142251 /nfs/dbraw/zinc/14/22/51/432142251.db2.gz JJJLIPVWPSIKIR-WMLDXEAASA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000268697663 206905814 /nfs/dbraw/zinc/90/58/14/206905814.db2.gz UBLDLBBJNHQASD-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979914 207140351 /nfs/dbraw/zinc/14/03/51/207140351.db2.gz CBWXXALXAPYBRH-RBOXIYTFSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268979914 207140354 /nfs/dbraw/zinc/14/03/54/207140354.db2.gz CBWXXALXAPYBRH-RBOXIYTFSA-N 2 2 303.406 3.037 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000272963811 210350155 /nfs/dbraw/zinc/35/01/55/210350155.db2.gz NYBIRSPFGJFTJB-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000272963811 210350158 /nfs/dbraw/zinc/35/01/58/210350158.db2.gz NYBIRSPFGJFTJB-GFCCVEGCSA-N 2 2 320.780 3.351 20 5 DGBDLP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000343112924 254101785 /nfs/dbraw/zinc/10/17/85/254101785.db2.gz WRKHSTIKIIGXJN-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000468748319 533384252 /nfs/dbraw/zinc/38/42/52/533384252.db2.gz PTABGOBSXUXEKI-AFYSSFTJSA-N 2 2 315.417 3.213 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000468748319 533384253 /nfs/dbraw/zinc/38/42/53/533384253.db2.gz PTABGOBSXUXEKI-AFYSSFTJSA-N 2 2 315.417 3.213 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000468748321 533410509 /nfs/dbraw/zinc/41/05/09/533410509.db2.gz PTABGOBSXUXEKI-PZLHCRFSSA-N 2 2 315.417 3.213 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000468748321 533410512 /nfs/dbraw/zinc/41/05/12/533410512.db2.gz PTABGOBSXUXEKI-PZLHCRFSSA-N 2 2 315.417 3.213 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071711 400151628 /nfs/dbraw/zinc/15/16/28/400151628.db2.gz NILRWRHVABHAKL-YFCVBGDOSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071711 400151630 /nfs/dbraw/zinc/15/16/30/400151630.db2.gz NILRWRHVABHAKL-YFCVBGDOSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000601110692 400236636 /nfs/dbraw/zinc/23/66/36/400236636.db2.gz KOWCOLVYTQUSHV-LBPRGKRZSA-N 2 2 323.356 3.250 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867809 400470441 /nfs/dbraw/zinc/47/04/41/400470441.db2.gz FLEJXCTZXYIFKN-KQQSKNTNSA-N 2 2 303.406 3.024 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000617867809 400470446 /nfs/dbraw/zinc/47/04/46/400470446.db2.gz FLEJXCTZXYIFKN-KQQSKNTNSA-N 2 2 303.406 3.024 20 5 DGBDLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000156339398 400709863 /nfs/dbraw/zinc/70/98/63/400709863.db2.gz WSOMDZJIRSHAGT-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721453 400865285 /nfs/dbraw/zinc/86/52/85/400865285.db2.gz VTJSUVJJSWIIQW-WMLDXEAASA-N 2 2 303.406 3.031 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721453 400865289 /nfs/dbraw/zinc/86/52/89/400865289.db2.gz VTJSUVJJSWIIQW-WMLDXEAASA-N 2 2 303.406 3.031 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594520944 401099041 /nfs/dbraw/zinc/09/90/41/401099041.db2.gz RUICPJFBACJFEY-BQFCYCMXSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594520944 401099045 /nfs/dbraw/zinc/09/90/45/401099045.db2.gz RUICPJFBACJFEY-BQFCYCMXSA-N 2 2 315.417 3.189 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956139 401207466 /nfs/dbraw/zinc/20/74/66/401207466.db2.gz HJPULEPYGSVIEK-SCOADAFUSA-N 2 2 317.433 3.461 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594956139 401207471 /nfs/dbraw/zinc/20/74/71/401207471.db2.gz HJPULEPYGSVIEK-SCOADAFUSA-N 2 2 317.433 3.461 20 5 DGBDLP Cc1c([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000130618184 196096379 /nfs/dbraw/zinc/09/63/79/196096379.db2.gz GXSNXKHPTIDLFG-AWEZNQCLSA-N 2 2 324.384 3.444 20 5 DGBDLP Cc1c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247361148 432225188 /nfs/dbraw/zinc/22/51/88/432225188.db2.gz HIXWXGBXWYIPAP-GUYCJALGSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000247361148 432225192 /nfs/dbraw/zinc/22/51/92/432225192.db2.gz HIXWXGBXWYIPAP-GUYCJALGSA-N 2 2 314.389 3.183 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000299654966 229304246 /nfs/dbraw/zinc/30/42/46/229304246.db2.gz UFEDDGSGVVCQTH-UHFFFAOYSA-N 2 2 323.824 3.355 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712004 274278550 /nfs/dbraw/zinc/27/85/50/274278550.db2.gz DQGSDMZXTSQLFC-RRQGHBQHSA-N 2 2 311.385 3.083 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712004 274278552 /nfs/dbraw/zinc/27/85/52/274278552.db2.gz DQGSDMZXTSQLFC-RRQGHBQHSA-N 2 2 311.385 3.083 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)c(Cl)c1 ZINC000183808936 432327963 /nfs/dbraw/zinc/32/79/63/432327963.db2.gz AHGPQPAXCVIOCX-UHFFFAOYSA-N 2 2 316.748 3.186 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791768 /nfs/dbraw/zinc/79/17/68/432791768.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791773 /nfs/dbraw/zinc/79/17/73/432791773.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791776 /nfs/dbraw/zinc/79/17/76/432791776.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849565 432791778 /nfs/dbraw/zinc/79/17/78/432791778.db2.gz BZSKUDPOHLGWCO-CABCVRRESA-N 2 2 305.422 3.320 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959736 432801966 /nfs/dbraw/zinc/80/19/66/432801966.db2.gz WGEUPPIMYDPWJW-TZMCWYRMSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266959736 432801967 /nfs/dbraw/zinc/80/19/67/432801967.db2.gz WGEUPPIMYDPWJW-TZMCWYRMSA-N 2 2 300.362 3.259 20 5 DGBDLP Cc1c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373115435 433095267 /nfs/dbraw/zinc/09/52/67/433095267.db2.gz KOKZOIZUQNXBMY-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000373115435 433095276 /nfs/dbraw/zinc/09/52/76/433095276.db2.gz KOKZOIZUQNXBMY-OAHLLOKOSA-N 2 2 314.389 3.016 20 5 DGBDLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449133398 433724353 /nfs/dbraw/zinc/72/43/53/433724353.db2.gz YHTMOISIRQVIAU-GOEBONIOSA-N 2 2 307.438 3.092 20 5 DGBDLP COc1ccc(C[NH2+]CC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000414813418 433851659 /nfs/dbraw/zinc/85/16/59/433851659.db2.gz QWJWDCQNJMYASP-UHFFFAOYSA-N 2 2 321.421 3.005 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)s2)cc1 ZINC000414843200 433878248 /nfs/dbraw/zinc/87/82/48/433878248.db2.gz JOEHVUAVGRYKMP-ZDUSSCGKSA-N 2 2 317.414 3.165 20 5 DGBDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414834094 433866859 /nfs/dbraw/zinc/86/68/59/433866859.db2.gz GMVJWFJKBIVNBT-CYBMUJFWSA-N 2 2 317.389 3.318 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964826 434046666 /nfs/dbraw/zinc/04/66/66/434046666.db2.gz VZDLMULUODPPHB-ZFWWWQNUSA-N 2 2 314.389 3.328 20 5 DGBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964824 434044870 /nfs/dbraw/zinc/04/48/70/434044870.db2.gz VZDLMULUODPPHB-HIFRSBDPSA-N 2 2 314.389 3.328 20 5 DGBDLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268290 434329172 /nfs/dbraw/zinc/32/91/72/434329172.db2.gz FVDBTGODBQJWOL-RDTXWAMCSA-N 2 2 313.401 3.129 20 5 DGBDLP [NH3+]C1(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000423339810 434370344 /nfs/dbraw/zinc/37/03/44/434370344.db2.gz WYVOXRFEVHGKMF-QGZVFWFLSA-N 2 2 311.385 3.155 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410332 434438503 /nfs/dbraw/zinc/43/85/03/434438503.db2.gz QQAPDMXTIIKPFJ-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397410332 434438506 /nfs/dbraw/zinc/43/85/06/434438506.db2.gz QQAPDMXTIIKPFJ-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512069 434463753 /nfs/dbraw/zinc/46/37/53/434463753.db2.gz UMRWFQBNLHFOEV-IUODEOHRSA-N 2 2 321.421 3.162 20 5 DGBDLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414830282 528330238 /nfs/dbraw/zinc/33/02/38/528330238.db2.gz NVCPPXAEXMTJKL-UHFFFAOYSA-N 2 2 305.403 3.022 20 5 DGBDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000902435530 619635841 /nfs/dbraw/zinc/63/58/41/619635841.db2.gz UOOJMXWVSOAVIE-IPMKNSEASA-N 2 2 323.396 3.187 20 5 DGBDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903057518 619707277 /nfs/dbraw/zinc/70/72/77/619707277.db2.gz CULMETLNAMOJRM-ZDUSSCGKSA-N 2 2 321.421 3.128 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000872018083 622753365 /nfs/dbraw/zinc/75/33/65/622753365.db2.gz ICCQGKIYDIGWLR-LLVKDONJSA-N 2 2 309.435 3.062 20 5 DGBDLP Cc1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000873117961 623039319 /nfs/dbraw/zinc/03/93/19/623039319.db2.gz SOHVRFMBOCZXLU-UHFFFAOYSA-N 2 2 303.406 3.010 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876559658 623643558 /nfs/dbraw/zinc/64/35/58/623643558.db2.gz DDYLQGPOYGJZFJ-UHFFFAOYSA-N 2 2 305.422 3.128 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876559658 623643561 /nfs/dbraw/zinc/64/35/61/623643561.db2.gz DDYLQGPOYGJZFJ-UHFFFAOYSA-N 2 2 305.422 3.128 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000876651088 623670432 /nfs/dbraw/zinc/67/04/32/623670432.db2.gz OWUPXQXXGFZWBI-UHFFFAOYSA-N 2 2 314.389 3.245 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000786811708 624955582 /nfs/dbraw/zinc/95/55/82/624955582.db2.gz LEPBZNFRMGYHLA-UVQBRAAOSA-N 2 2 317.433 3.462 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000786818464 624955903 /nfs/dbraw/zinc/95/59/03/624955903.db2.gz YSFUMAXFDSFREA-GOFCXVBSSA-N 2 2 303.406 3.072 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000786818464 624955904 /nfs/dbraw/zinc/95/59/04/624955904.db2.gz YSFUMAXFDSFREA-GOFCXVBSSA-N 2 2 303.406 3.072 20 5 DGBDLP CC1(C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925579430 627758022 /nfs/dbraw/zinc/75/80/22/627758022.db2.gz DMABCMZVFPAAHT-SNPRPXQTSA-N 2 2 323.824 3.114 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865898 627951848 /nfs/dbraw/zinc/95/18/48/627951848.db2.gz OIXQIAHPZRENJZ-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C[NH3+] ZINC000817865898 627951852 /nfs/dbraw/zinc/95/18/52/627951852.db2.gz OIXQIAHPZRENJZ-NTZNESFSSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H](CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[NH+](C)C ZINC001461661603 1182838938 /nfs/dbraw/zinc/83/89/38/1182838938.db2.gz GOFHCGYYCLWUII-ZDUSSCGKSA-N 2 2 317.389 3.285 20 5 DGBDLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001576389017 1191580251 /nfs/dbraw/zinc/58/02/51/1191580251.db2.gz DMABCMZVFPAAHT-CFVMTHIKSA-N 2 2 323.824 3.114 20 5 DGBDLP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC001657355249 1196133623 /nfs/dbraw/zinc/13/36/23/1196133623.db2.gz NUKVETMBQQPIAO-UHFFFAOYSA-N 2 2 314.389 3.198 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001173233662 1097378200 /nfs/dbraw/zinc/37/82/00/1097378200.db2.gz XWPHJERGHVQBOK-AWEZNQCLSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001173233662 1097378204 /nfs/dbraw/zinc/37/82/04/1097378204.db2.gz XWPHJERGHVQBOK-AWEZNQCLSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001254550711 1106101767 /nfs/dbraw/zinc/10/17/67/1106101767.db2.gz PJNPPWZTDLFMSN-OAHLLOKOSA-N 2 2 317.433 3.086 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001254563875 1106104196 /nfs/dbraw/zinc/10/41/96/1106104196.db2.gz FTJUJHYQCIJELB-AWEZNQCLSA-N 2 2 317.433 3.084 20 5 DGBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001254563875 1106104201 /nfs/dbraw/zinc/10/42/01/1106104201.db2.gz FTJUJHYQCIJELB-AWEZNQCLSA-N 2 2 317.433 3.084 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308547076 1111441164 /nfs/dbraw/zinc/44/11/64/1111441164.db2.gz ILUJZJPJCNJWDJ-PTNGSMBKSA-N 2 2 317.433 3.320 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308547076 1111441169 /nfs/dbraw/zinc/44/11/69/1111441169.db2.gz ILUJZJPJCNJWDJ-PTNGSMBKSA-N 2 2 317.433 3.320 20 5 DGBDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000163847738 432043680 /nfs/dbraw/zinc/04/36/80/432043680.db2.gz GSDNLODODBYSGK-CYBMUJFWSA-N 2 2 300.362 3.143 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134873047 432088314 /nfs/dbraw/zinc/08/83/14/432088314.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134873047 432088316 /nfs/dbraw/zinc/08/83/16/432088316.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134873047 432088319 /nfs/dbraw/zinc/08/83/19/432088319.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134873047 432088320 /nfs/dbraw/zinc/08/83/20/432088320.db2.gz JJJLIPVWPSIKIR-PBHICJAKSA-N 2 2 315.417 3.044 20 5 DGBDLP O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000119301830 284140192 /nfs/dbraw/zinc/14/01/92/284140192.db2.gz MEOBWAMPESNDSZ-UHFFFAOYSA-N 2 2 320.780 3.282 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779163 432132033 /nfs/dbraw/zinc/13/20/33/432132033.db2.gz PFFGSZGFPMNMKF-LXZKKBNFSA-N 2 2 303.406 3.181 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000268779163 432132037 /nfs/dbraw/zinc/13/20/37/432132037.db2.gz PFFGSZGFPMNMKF-LXZKKBNFSA-N 2 2 303.406 3.181 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595056432 400092740 /nfs/dbraw/zinc/09/27/40/400092740.db2.gz HGIXEBUPYNVNNQ-GOEBONIOSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595056432 400092743 /nfs/dbraw/zinc/09/27/43/400092743.db2.gz HGIXEBUPYNVNNQ-GOEBONIOSA-N 2 2 319.449 3.378 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507951 400172198 /nfs/dbraw/zinc/17/21/98/400172198.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507951 400172205 /nfs/dbraw/zinc/17/22/05/400172205.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507951 400172209 /nfs/dbraw/zinc/17/22/09/400172209.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507951 400172212 /nfs/dbraw/zinc/17/22/12/400172212.db2.gz SCCLGTRPRVHGQY-YOEHRIQHSA-N 2 2 303.406 3.074 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368835 400252136 /nfs/dbraw/zinc/25/21/36/400252136.db2.gz UTMVGBJSIMHDBD-KBPBESRZSA-N 2 2 300.362 3.189 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610368835 400252138 /nfs/dbraw/zinc/25/21/38/400252138.db2.gz UTMVGBJSIMHDBD-KBPBESRZSA-N 2 2 300.362 3.189 20 5 DGBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276792 /nfs/dbraw/zinc/27/67/92/400276792.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276793 /nfs/dbraw/zinc/27/67/93/400276793.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276794 /nfs/dbraw/zinc/27/67/94/400276794.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000589206616 400276797 /nfs/dbraw/zinc/27/67/97/400276797.db2.gz WYFLZIURQOAQCD-XJKSGUPXSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCC[NH2+]3)o2)cc1 ZINC000591275561 400505487 /nfs/dbraw/zinc/50/54/87/400505487.db2.gz DDCSZEABUOAPAZ-AWEZNQCLSA-N 2 2 315.373 3.087 20 5 DGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCC[NH2+]3)o2)cc1 ZINC000591275562 400505674 /nfs/dbraw/zinc/50/56/74/400505674.db2.gz DDCSZEABUOAPAZ-CQSZACIVSA-N 2 2 315.373 3.087 20 5 DGBDLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cn21 ZINC000592404354 400647029 /nfs/dbraw/zinc/64/70/29/400647029.db2.gz RDDWTNIWCCMONC-CQSZACIVSA-N 2 2 324.384 3.444 20 5 DGBDLP CN(CCC[NH+]1CCCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599075050 400952294 /nfs/dbraw/zinc/95/22/94/400952294.db2.gz RLVWCWJLQUZDNW-UHFFFAOYSA-N 2 2 314.389 3.065 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712200 287152467 /nfs/dbraw/zinc/15/24/67/287152467.db2.gz FGAABFLTAGJMKC-HOTGVXAUSA-N 2 2 317.433 3.464 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266712200 287152470 /nfs/dbraw/zinc/15/24/70/287152470.db2.gz FGAABFLTAGJMKC-HOTGVXAUSA-N 2 2 317.433 3.464 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262688 432217031 /nfs/dbraw/zinc/21/70/31/432217031.db2.gz ZHINZWBZWUOYPJ-XBFCOCLRSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247262688 432217032 /nfs/dbraw/zinc/21/70/32/432217032.db2.gz ZHINZWBZWUOYPJ-XBFCOCLRSA-N 2 2 303.406 3.179 20 5 DGBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000348037519 264326765 /nfs/dbraw/zinc/32/67/65/264326765.db2.gz KHXKPXLKHKAESB-UHFFFAOYSA-N 2 2 315.373 3.029 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541208 265083170 /nfs/dbraw/zinc/08/31/70/265083170.db2.gz VDEXAAPVVNJTHT-GOSISDBHSA-N 2 2 317.433 3.294 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000352541208 265083174 /nfs/dbraw/zinc/08/31/74/265083174.db2.gz VDEXAAPVVNJTHT-GOSISDBHSA-N 2 2 317.433 3.294 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259878 /nfs/dbraw/zinc/25/98/78/432259878.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259882 /nfs/dbraw/zinc/25/98/82/432259882.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259885 /nfs/dbraw/zinc/25/98/85/432259885.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247983789 432259888 /nfs/dbraw/zinc/25/98/88/432259888.db2.gz IPYBFIVIMJFHHI-IUODEOHRSA-N 2 2 323.824 3.164 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCC2 ZINC000417333251 275038196 /nfs/dbraw/zinc/03/81/96/275038196.db2.gz YPDDYOONJLNNTP-QGZVFWFLSA-N 2 2 303.406 3.048 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000449285817 279382059 /nfs/dbraw/zinc/38/20/59/279382059.db2.gz SVMXIHKVRVUYIN-PBHICJAKSA-N 2 2 317.433 3.132 20 5 DGBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000449285817 279382062 /nfs/dbraw/zinc/38/20/62/279382062.db2.gz SVMXIHKVRVUYIN-PBHICJAKSA-N 2 2 317.433 3.132 20 5 DGBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000152449574 432334092 /nfs/dbraw/zinc/33/40/92/432334092.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000152449574 432334097 /nfs/dbraw/zinc/33/40/97/432334097.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000152449574 432334102 /nfs/dbraw/zinc/33/41/02/432334102.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000152449574 432334106 /nfs/dbraw/zinc/33/41/06/432334106.db2.gz QBAZFDUGMLGDHW-LBPRGKRZSA-N 2 2 311.813 3.022 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712007 432444080 /nfs/dbraw/zinc/44/40/80/432444080.db2.gz DQGSDMZXTSQLFC-XOKHGSTOSA-N 2 2 311.385 3.083 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261712007 432444085 /nfs/dbraw/zinc/44/40/85/432444085.db2.gz DQGSDMZXTSQLFC-XOKHGSTOSA-N 2 2 311.385 3.083 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000262298422 432479266 /nfs/dbraw/zinc/47/92/66/432479266.db2.gz OETFCVCTHIQBNN-CYBMUJFWSA-N 2 2 303.406 3.120 20 5 DGBDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790977 /nfs/dbraw/zinc/79/09/77/432790977.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790981 /nfs/dbraw/zinc/79/09/81/432790981.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790984 /nfs/dbraw/zinc/79/09/84/432790984.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849571 432790988 /nfs/dbraw/zinc/79/09/88/432790988.db2.gz BZSKUDPOHLGWCO-HUUCEWRRSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791454 /nfs/dbraw/zinc/79/14/54/432791454.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791458 /nfs/dbraw/zinc/79/14/58/432791458.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791462 /nfs/dbraw/zinc/79/14/62/432791462.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266849568 432791464 /nfs/dbraw/zinc/79/14/64/432791464.db2.gz BZSKUDPOHLGWCO-GJZGRUSLSA-N 2 2 305.422 3.320 20 5 DGBDLP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000332440320 433006462 /nfs/dbraw/zinc/00/64/62/433006462.db2.gz INISQUQFYVMMRW-GFCCVEGCSA-N 2 2 300.362 3.259 20 5 DGBDLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336716879 433184835 /nfs/dbraw/zinc/18/48/35/433184835.db2.gz PTZQAYLUWBVQCU-UHFFFAOYSA-N 2 2 317.364 3.085 20 5 DGBDLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000336716879 433184840 /nfs/dbraw/zinc/18/48/40/433184840.db2.gz PTZQAYLUWBVQCU-UHFFFAOYSA-N 2 2 317.364 3.085 20 5 DGBDLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367436487 293071825 /nfs/dbraw/zinc/07/18/25/293071825.db2.gz GFEJCMAFYBDOBP-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142880 433842214 /nfs/dbraw/zinc/84/22/14/433842214.db2.gz GCLVXYNVNPECHT-CJNGLKHVSA-N 2 2 303.406 3.001 20 5 DGBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142880 433842223 /nfs/dbraw/zinc/84/22/23/433842223.db2.gz GCLVXYNVNPECHT-CJNGLKHVSA-N 2 2 303.406 3.001 20 5 DGBDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414812371 433853441 /nfs/dbraw/zinc/85/34/41/433853441.db2.gz KVUPKVVPSMCMES-AWEZNQCLSA-N 2 2 317.389 3.462 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000377964825 434046902 /nfs/dbraw/zinc/04/69/02/434046902.db2.gz VZDLMULUODPPHB-UKRRQHHQSA-N 2 2 314.389 3.328 20 5 DGBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423185299 434273355 /nfs/dbraw/zinc/27/33/55/434273355.db2.gz NIKSBILRMJPWFV-GOSISDBHSA-N 2 2 311.385 3.026 20 5 DGBDLP CCc1ccc([C@H]([NH2+]CCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423197909 434280334 /nfs/dbraw/zinc/28/03/34/434280334.db2.gz BXGYDHVFFDGMDA-QGZVFWFLSA-N 2 2 317.389 3.039 20 5 DGBDLP C[NH2+]CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423225741 434295257 /nfs/dbraw/zinc/29/52/57/434295257.db2.gz OASWUQANWLIFGS-LLVKDONJSA-N 2 2 305.403 3.193 20 5 DGBDLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423268285 434325456 /nfs/dbraw/zinc/32/54/56/434325456.db2.gz FVDBTGODBQJWOL-KBXCAEBGSA-N 2 2 313.401 3.129 20 5 DGBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCC2 ZINC000417299626 434349749 /nfs/dbraw/zinc/34/97/49/434349749.db2.gz NHEHTDVOBWWCTB-QGZVFWFLSA-N 2 2 314.389 3.239 20 5 DGBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750330 434399296 /nfs/dbraw/zinc/39/92/96/434399296.db2.gz HRJYMOLRGBTPNQ-GOEBONIOSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750330 434399304 /nfs/dbraw/zinc/39/93/04/434399304.db2.gz HRJYMOLRGBTPNQ-GOEBONIOSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750330 434399312 /nfs/dbraw/zinc/39/93/12/434399312.db2.gz HRJYMOLRGBTPNQ-GOEBONIOSA-N 2 2 305.422 3.208 20 5 DGBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353750330 434399317 /nfs/dbraw/zinc/39/93/17/434399317.db2.gz HRJYMOLRGBTPNQ-GOEBONIOSA-N 2 2 305.422 3.208 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394398 434437803 /nfs/dbraw/zinc/43/78/03/434437803.db2.gz KVORESXMKBAGDW-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397394398 434437810 /nfs/dbraw/zinc/43/78/10/434437810.db2.gz KVORESXMKBAGDW-MDZLAQPJSA-N 2 2 311.813 3.053 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000349204229 434636242 /nfs/dbraw/zinc/63/62/42/434636242.db2.gz WIPUOCLGKSYOIQ-UONOGXRCSA-N 2 2 323.462 3.149 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+]1C ZINC000349204229 434636250 /nfs/dbraw/zinc/63/62/50/434636250.db2.gz WIPUOCLGKSYOIQ-UONOGXRCSA-N 2 2 323.462 3.149 20 5 DGBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)[NH+](C)C ZINC000349249881 434650025 /nfs/dbraw/zinc/65/00/25/434650025.db2.gz VNRMIPRKCXDTQA-CHWSQXEVSA-N 2 2 311.451 3.005 20 5 DGBDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572683006 435855675 /nfs/dbraw/zinc/85/56/75/435855675.db2.gz BTNNEFWSHNFGFN-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000572683006 435855678 /nfs/dbraw/zinc/85/56/78/435855678.db2.gz BTNNEFWSHNFGFN-UHFFFAOYSA-N 2 2 317.389 3.238 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891779 618393621 /nfs/dbraw/zinc/39/36/21/618393621.db2.gz KGDYYXIJOOEUJS-KBRIMQKVSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000926891779 618393625 /nfs/dbraw/zinc/39/36/25/618393625.db2.gz KGDYYXIJOOEUJS-KBRIMQKVSA-N 2 2 303.406 3.262 20 5 DGBDLP C[C@@H](CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000895290440 618588574 /nfs/dbraw/zinc/58/85/74/618588574.db2.gz IQGMSQYBGDQEDF-JTQLQIEISA-N 2 2 319.327 3.043 20 5 DGBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587373 618803102 /nfs/dbraw/zinc/80/31/02/618803102.db2.gz QDUGEIBYKNAWGO-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895587373 618803103 /nfs/dbraw/zinc/80/31/03/618803103.db2.gz QDUGEIBYKNAWGO-GFCCVEGCSA-N 2 2 311.813 3.070 20 5 DGBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949976 /nfs/dbraw/zinc/94/99/76/626949976.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949979 /nfs/dbraw/zinc/94/99/79/626949979.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949980 /nfs/dbraw/zinc/94/99/80/626949980.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000809767797 626949983 /nfs/dbraw/zinc/94/99/83/626949983.db2.gz UMRWEURBJLKJFY-LRDDRELGSA-N 2 2 323.824 3.164 20 5 DGBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037563124 661265744 /nfs/dbraw/zinc/26/57/44/661265744.db2.gz KJMQQLJQQFDEHE-GFCCVEGCSA-N 2 2 308.407 3.057 20 5 DGBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001459936320 1182631055 /nfs/dbraw/zinc/63/10/55/1182631055.db2.gz NTCWWPLCORAMMX-JSGCOSHPSA-N 2 2 323.462 3.399 20 5 DGBDLP C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459936320 1182631061 /nfs/dbraw/zinc/63/10/61/1182631061.db2.gz NTCWWPLCORAMMX-JSGCOSHPSA-N 2 2 323.462 3.399 20 5 DGBDLP CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCC[NH2+][C@H]21 ZINC001576390438 1191580240 /nfs/dbraw/zinc/58/02/40/1191580240.db2.gz OAXKBMNNEVYHMA-BPLDGKMQSA-N 2 2 323.824 3.114 20 5 DGBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841403 1091375804 /nfs/dbraw/zinc/37/58/04/1091375804.db2.gz JRLCEZJUONOGIX-KDOFPFPSSA-N 2 2 320.440 3.342 20 5 DGBDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205841403 1091375808 /nfs/dbraw/zinc/37/58/08/1091375808.db2.gz JRLCEZJUONOGIX-KDOFPFPSSA-N 2 2 320.440 3.342 20 5 DGBDLP C[NH2+][C@@H](C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001118122364 1095937730 /nfs/dbraw/zinc/93/77/30/1095937730.db2.gz VCBCZOPBEQGEHT-KBXCAEBGSA-N 2 2 313.401 3.272 20 5 DGBDLP [NH3+][C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001235959826 1099291022 /nfs/dbraw/zinc/29/10/22/1099291022.db2.gz DBCACGVNHSNHJD-RBUKOAKNSA-N 2 2 316.404 3.088 20 5 DGBDLP [NH3+][C@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001235959826 1099291028 /nfs/dbraw/zinc/29/10/28/1099291028.db2.gz DBCACGVNHSNHJD-RBUKOAKNSA-N 2 2 316.404 3.088 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001308032040 1111369274 /nfs/dbraw/zinc/36/92/74/1111369274.db2.gz BCWTZQNDKQDTHC-GOSISDBHSA-N 2 2 322.368 3.322 20 5 DGBDLP Cc1c([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000163825984 432043666 /nfs/dbraw/zinc/04/36/66/432043666.db2.gz URLVSJAUORRYFC-CQSZACIVSA-N 2 2 314.389 3.451 20 5 DGBDLP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281257 432059913 /nfs/dbraw/zinc/05/99/13/432059913.db2.gz ZHINZWBZWUOYPJ-IACUBPJLSA-N 2 2 303.406 3.179 20 5 DGBDLP Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000166281257 432059915 /nfs/dbraw/zinc/05/99/15/432059915.db2.gz ZHINZWBZWUOYPJ-IACUBPJLSA-N 2 2 303.406 3.179 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000470200599 244160429 /nfs/dbraw/zinc/16/04/29/244160429.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000470200599 244160432 /nfs/dbraw/zinc/16/04/32/244160432.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000470200599 244160435 /nfs/dbraw/zinc/16/04/35/244160435.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 2 2 315.417 3.024 20 5 DGBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000470200599 244160439 /nfs/dbraw/zinc/16/04/39/244160439.db2.gz CADBISOUQFWTIP-JRIYGVKESA-N 2 2 315.417 3.024 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979910 207140113 /nfs/dbraw/zinc/14/01/13/207140113.db2.gz CBWXXALXAPYBRH-FFSVYQOJSA-N 2 2 303.406 3.037 20 5 DGBDLP Cc1c([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268979910 207140118 /nfs/dbraw/zinc/14/01/18/207140118.db2.gz CBWXXALXAPYBRH-FFSVYQOJSA-N 2 2 303.406 3.037 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159499 /nfs/dbraw/zinc/15/94/99/207159499.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159503 /nfs/dbraw/zinc/15/95/03/207159503.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159507 /nfs/dbraw/zinc/15/95/07/207159507.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000269003513 207159509 /nfs/dbraw/zinc/15/95/09/207159509.db2.gz PXLMMPJVKYKLIJ-DOMZBBRYSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000060390877 184147966 /nfs/dbraw/zinc/14/79/66/184147966.db2.gz DWXFUSPSHWURTJ-LBPRGKRZSA-N 2 2 311.813 3.070 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156473522 197115936 /nfs/dbraw/zinc/11/59/36/197115936.db2.gz JKVGQHSLTMAJRD-KEYYUXOJSA-N 2 2 314.389 3.435 20 5 DGBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156473522 197115938 /nfs/dbraw/zinc/11/59/38/197115938.db2.gz JKVGQHSLTMAJRD-KEYYUXOJSA-N 2 2 314.389 3.435 20 5 DGBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595348236 400132103 /nfs/dbraw/zinc/13/21/03/400132103.db2.gz QDVKBYKPXIGHMT-UHFFFAOYSA-N 2 2 309.385 3.040 20 5 DGBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595348236 400132109 /nfs/dbraw/zinc/13/21/09/400132109.db2.gz QDVKBYKPXIGHMT-UHFFFAOYSA-N 2 2 309.385 3.040 20 5 DGBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000601108728 400234789 /nfs/dbraw/zinc/23/47/89/400234789.db2.gz JNVRVTWGRKIGDX-UHFFFAOYSA-N 2 2 323.356 3.181 20 5 DGBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596106365 400318385 /nfs/dbraw/zinc/31/83/85/400318385.db2.gz PKGWXERKYDJJJN-LLVKDONJSA-N 2 2 305.403 3.021 20 5 DGBDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000596108758 400320032 /nfs/dbraw/zinc/32/00/32/400320032.db2.gz XTYDREKLYZXMAA-LLVKDONJSA-N 2 2 305.403 3.021 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268080 400370094 /nfs/dbraw/zinc/37/00/94/400370094.db2.gz FTDLCLLBQHVGJB-WUTVXBCWSA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268080 400370097 /nfs/dbraw/zinc/37/00/97/400370097.db2.gz FTDLCLLBQHVGJB-WUTVXBCWSA-N 2 2 312.373 3.142 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721452 400864969 /nfs/dbraw/zinc/86/49/69/400864969.db2.gz VTJSUVJJSWIIQW-RHSMWYFYSA-N 2 2 303.406 3.031 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598721452 400864976 /nfs/dbraw/zinc/86/49/76/400864976.db2.gz VTJSUVJJSWIIQW-RHSMWYFYSA-N 2 2 303.406 3.031 20 5 DGBDLP C[N@@H+]1CCC[C@@H](CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086474 400955530 /nfs/dbraw/zinc/95/55/30/400955530.db2.gz OCSZEDZUTHXLGU-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+]1CCC[C@@H](CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086474 400955536 /nfs/dbraw/zinc/95/55/36/400955536.db2.gz OCSZEDZUTHXLGU-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598997448 400924081 /nfs/dbraw/zinc/92/40/81/400924081.db2.gz BOLHVBRTHHNINT-KRWDZBQOSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598997448 400924085 /nfs/dbraw/zinc/92/40/85/400924085.db2.gz BOLHVBRTHHNINT-KRWDZBQOSA-N 2 2 303.406 3.010 20 5 DGBDLP CC[N@@H+]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599015122 400927557 /nfs/dbraw/zinc/92/75/57/400927557.db2.gz FTHIJJSOWHVNLD-CYBMUJFWSA-N 2 2 300.362 3.039 20 5 DGBDLP CC[N@H+]1CCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599015122 400927564 /nfs/dbraw/zinc/92/75/64/400927564.db2.gz FTHIJJSOWHVNLD-CYBMUJFWSA-N 2 2 300.362 3.039 20 5 DGBDLP CC[N@@H+]1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599033765 400933470 /nfs/dbraw/zinc/93/34/70/400933470.db2.gz CFWUQETYZIRGLF-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[N@H+]1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599033765 400933477 /nfs/dbraw/zinc/93/34/77/400933477.db2.gz CFWUQETYZIRGLF-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)[NH3+] ZINC000594737178 401166204 /nfs/dbraw/zinc/16/62/04/401166204.db2.gz YHTAGXOIWVGTSJ-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)[NH3+] ZINC000594737178 401166209 /nfs/dbraw/zinc/16/62/09/401166209.db2.gz YHTAGXOIWVGTSJ-UHFFFAOYSA-N 2 2 303.362 3.024 20 5 DGBDLP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247244784 432215219 /nfs/dbraw/zinc/21/52/19/432215219.db2.gz WXNUCEVRTQDLOK-YOEHRIQHSA-N 2 2 314.389 3.183 20 5 DGBDLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000247244784 432215222 /nfs/dbraw/zinc/21/52/22/432215222.db2.gz WXNUCEVRTQDLOK-YOEHRIQHSA-N 2 2 314.389 3.183 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247365238 432226419 /nfs/dbraw/zinc/22/64/19/432226419.db2.gz HLYKFCPFXMETMU-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247365238 432226420 /nfs/dbraw/zinc/22/64/20/432226420.db2.gz HLYKFCPFXMETMU-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414827723 533682035 /nfs/dbraw/zinc/68/20/35/533682035.db2.gz HOYVEPHKBPGQEQ-YOEHRIQHSA-N 2 2 313.401 3.206 20 5 DGBDLP Cc1c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299533348 229187733 /nfs/dbraw/zinc/18/77/33/229187733.db2.gz HHAUPTPKIIJCCG-UHFFFAOYSA-N 2 2 305.422 3.208 20 5 DGBDLP Cc1c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000299533348 229187736 /nfs/dbraw/zinc/18/77/36/229187736.db2.gz HHAUPTPKIIJCCG-UHFFFAOYSA-N 2 2 305.422 3.208 20 5 DGBDLP C[NH+](C)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413256698 273807281 /nfs/dbraw/zinc/80/72/81/273807281.db2.gz BSSQQMAJYQUYHM-CQSZACIVSA-N 2 2 314.389 3.064 20 5 DGBDLP C[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000413079261 274492685 /nfs/dbraw/zinc/49/26/85/274492685.db2.gz YSNNVXJEWNZMBO-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692937 276334585 /nfs/dbraw/zinc/33/45/85/276334585.db2.gz CTTHYIQGEDGHMJ-MNDMWVCDSA-N 2 2 317.433 3.272 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093692937 276334587 /nfs/dbraw/zinc/33/45/87/276334587.db2.gz CTTHYIQGEDGHMJ-MNDMWVCDSA-N 2 2 317.433 3.272 20 5 DGBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142881 277064736 /nfs/dbraw/zinc/06/47/36/277064736.db2.gz GCLVXYNVNPECHT-CZUORRHYSA-N 2 2 303.406 3.001 20 5 DGBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433142881 277064737 /nfs/dbraw/zinc/06/47/37/277064737.db2.gz GCLVXYNVNPECHT-CZUORRHYSA-N 2 2 303.406 3.001 20 5 DGBDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331969061 279035941 /nfs/dbraw/zinc/03/59/41/279035941.db2.gz JMMUVHDSTRIYFI-XZJROXQQSA-N 2 2 303.406 3.047 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004402 431514963 /nfs/dbraw/zinc/51/49/63/431514963.db2.gz UPNMTKABHCNLIW-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004402 431514969 /nfs/dbraw/zinc/51/49/69/431514969.db2.gz UPNMTKABHCNLIW-OAHLLOKOSA-N 2 2 305.422 3.067 20 5 DGBDLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931657 /nfs/dbraw/zinc/93/16/57/431931657.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931660 /nfs/dbraw/zinc/93/16/60/431931660.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931662 /nfs/dbraw/zinc/93/16/62/431931662.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000125637513 431931663 /nfs/dbraw/zinc/93/16/63/431931663.db2.gz FDOMIAXYMNXWHT-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000266084538 432751341 /nfs/dbraw/zinc/75/13/41/432751341.db2.gz GQXWSXZFDPPGKM-UHFFFAOYSA-N 2 2 315.373 3.039 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025790 432829052 /nfs/dbraw/zinc/82/90/52/432829052.db2.gz AUROWDHZOOUSDJ-CYBMUJFWSA-N 2 2 311.813 3.164 20 5 DGBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277025790 432829054 /nfs/dbraw/zinc/82/90/54/432829054.db2.gz AUROWDHZOOUSDJ-CYBMUJFWSA-N 2 2 311.813 3.164 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762846 432784492 /nfs/dbraw/zinc/78/44/92/432784492.db2.gz QNTLUNXTZSLTGO-LBPRGKRZSA-N 2 2 300.362 3.259 20 5 DGBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000276311542 432795300 /nfs/dbraw/zinc/79/53/00/432795300.db2.gz MLPKTBBKBISCTF-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000276311542 432795301 /nfs/dbraw/zinc/79/53/01/432795301.db2.gz MLPKTBBKBISCTF-BLLLJJGKSA-N 2 2 318.352 3.014 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000267043621 432808497 /nfs/dbraw/zinc/80/84/97/432808497.db2.gz PKZNIMCQCSJLDR-OAHLLOKOSA-N 2 2 321.396 3.184 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000267043621 432808501 /nfs/dbraw/zinc/80/85/01/432808501.db2.gz PKZNIMCQCSJLDR-OAHLLOKOSA-N 2 2 321.396 3.184 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373233573 433137287 /nfs/dbraw/zinc/13/72/87/433137287.db2.gz WJAOXEQWHYXMFC-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373233573 433137293 /nfs/dbraw/zinc/13/72/93/433137293.db2.gz WJAOXEQWHYXMFC-HNNXBMFYSA-N 2 2 314.389 3.016 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266388 433700094 /nfs/dbraw/zinc/70/00/94/433700094.db2.gz WKADJBVLAMASDH-OAHLLOKOSA-N 2 2 321.396 3.042 20 5 DGBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000283266388 433700101 /nfs/dbraw/zinc/70/01/01/433700101.db2.gz WKADJBVLAMASDH-OAHLLOKOSA-N 2 2 321.396 3.042 20 5 DGBDLP C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285627219 434018933 /nfs/dbraw/zinc/01/89/33/434018933.db2.gz WVUOUHZZTSXSFP-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285627219 434018940 /nfs/dbraw/zinc/01/89/40/434018940.db2.gz WVUOUHZZTSXSFP-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285627219 434018953 /nfs/dbraw/zinc/01/89/53/434018953.db2.gz WVUOUHZZTSXSFP-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP C[NH+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285627219 434018964 /nfs/dbraw/zinc/01/89/64/434018964.db2.gz WVUOUHZZTSXSFP-YIONKMFJSA-N 2 2 323.824 3.305 20 5 DGBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423512066 434467232 /nfs/dbraw/zinc/46/72/32/434467232.db2.gz UMRWFQBNLHFOEV-DOMZBBRYSA-N 2 2 321.421 3.162 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCC1 ZINC000349245215 434649441 /nfs/dbraw/zinc/64/94/41/434649441.db2.gz HDFWFQOFEQINNO-AWEZNQCLSA-N 2 2 323.462 3.151 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000551566136 435843422 /nfs/dbraw/zinc/84/34/22/435843422.db2.gz YXOIIHJGHYZSAX-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000866385732 622108408 /nfs/dbraw/zinc/10/84/08/622108408.db2.gz PXQCPOGKYDACFH-IUODEOHRSA-N 2 2 323.412 3.127 20 5 DGBDLP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000866385732 622108409 /nfs/dbraw/zinc/10/84/09/622108409.db2.gz PXQCPOGKYDACFH-IUODEOHRSA-N 2 2 323.412 3.127 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000872028937 622761832 /nfs/dbraw/zinc/76/18/32/622761832.db2.gz NPGPFRHLKULAST-RYUDHWBXSA-N 2 2 311.451 3.308 20 5 DGBDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783592410 624372532 /nfs/dbraw/zinc/37/25/32/624372532.db2.gz CXTWOPGNKAGRSG-UHFFFAOYSA-N 2 2 311.813 3.211 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865900 627951944 /nfs/dbraw/zinc/95/19/44/627951944.db2.gz OIXQIAHPZRENJZ-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C[NH3+] ZINC000817865900 627951949 /nfs/dbraw/zinc/95/19/49/627951949.db2.gz OIXQIAHPZRENJZ-WZRBSPASSA-N 2 2 311.813 3.053 20 5 DGBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000084439918 662200917 /nfs/dbraw/zinc/20/09/17/662200917.db2.gz PQIFDGWHARVVAL-UHFFFAOYSA-N 2 2 308.769 3.015 20 5 DGBDLP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC001335836750 1178961951 /nfs/dbraw/zinc/96/19/51/1178961951.db2.gz FQENQRBLFZHBLG-ZDUSSCGKSA-N 2 2 323.462 3.453 20 5 DGBDLP C[N@@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1C[NH2+]CCO1 ZINC001205377586 1091206307 /nfs/dbraw/zinc/20/63/07/1091206307.db2.gz ZHAHDFUKHPZNDA-GOSISDBHSA-N 2 2 320.436 3.413 20 5 DGBDLP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1C[NH2+]CCO1 ZINC001205377586 1091206315 /nfs/dbraw/zinc/20/63/15/1091206315.db2.gz ZHAHDFUKHPZNDA-GOSISDBHSA-N 2 2 320.436 3.413 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001173222608 1097372993 /nfs/dbraw/zinc/37/29/93/1097372993.db2.gz XMLMEAIQRDCRCO-HOCLYGCPSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001173222608 1097372994 /nfs/dbraw/zinc/37/29/94/1097372994.db2.gz XMLMEAIQRDCRCO-HOCLYGCPSA-N 2 2 319.449 3.236 20 5 DGBDLP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001173232858 1097376943 /nfs/dbraw/zinc/37/69/43/1097376943.db2.gz IMAQTQCIUIWJGQ-AWEZNQCLSA-N 2 2 314.389 3.059 20 5 DGBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001308032041 1111368965 /nfs/dbraw/zinc/36/89/65/1111368965.db2.gz BCWTZQNDKQDTHC-SFHVURJKSA-N 2 2 322.368 3.322 20 5 DGBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167904 1111388959 /nfs/dbraw/zinc/38/89/59/1111388959.db2.gz XSIOWXGOOBNYDQ-ZDUSSCGKSA-N 2 2 314.389 3.269 20 5 DGBDLP CC1(C)C[C@H]([NH2+]CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc21 ZINC000279167712 214673887 /nfs/dbraw/zinc/67/38/87/214673887.db2.gz UNGDXADSMYHQQE-INIZCTEOSA-N 2 2 314.389 3.194 20 5 DGBDLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000179429118 432057950 /nfs/dbraw/zinc/05/79/50/432057950.db2.gz MQVVMSVZHJLSRW-UHFFFAOYSA-N 2 2 310.357 3.267 20 5 DGBDLP C[NH+](C)CCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179969614 432075742 /nfs/dbraw/zinc/07/57/42/432075742.db2.gz DTOSEIFPXYDSHP-SFHVURJKSA-N 2 2 313.401 3.226 20 5 DGBDLP C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000449106960 240020528 /nfs/dbraw/zinc/02/05/28/240020528.db2.gz NYIMXTILQQGFLL-JKSUJKDBSA-N 2 2 319.449 3.236 20 5 DGBDLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563800 193268151 /nfs/dbraw/zinc/26/81/51/193268151.db2.gz SQPCGBTZKVIAPU-QGZVFWFLSA-N 2 2 317.433 3.354 20 5 DGBDLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093563800 193268152 /nfs/dbraw/zinc/26/81/52/193268152.db2.gz SQPCGBTZKVIAPU-QGZVFWFLSA-N 2 2 317.433 3.354 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597135 193273057 /nfs/dbraw/zinc/27/30/57/193273057.db2.gz PDHZADZMBHZKCB-BIENSFFJSA-N 2 2 315.417 3.026 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597135 193273059 /nfs/dbraw/zinc/27/30/59/193273059.db2.gz PDHZADZMBHZKCB-BIENSFFJSA-N 2 2 315.417 3.026 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131106 205123380 /nfs/dbraw/zinc/12/33/80/205123380.db2.gz DBKNDJGVXUIIET-ABAIWWIYSA-N 2 2 311.813 3.068 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000266131106 205123384 /nfs/dbraw/zinc/12/33/84/205123384.db2.gz DBKNDJGVXUIIET-ABAIWWIYSA-N 2 2 311.813 3.068 20 5 DGBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000595035907 400083724 /nfs/dbraw/zinc/08/37/24/400083724.db2.gz NFXHXZLCHNNSCE-CYBMUJFWSA-N 2 2 315.373 3.200 20 5 DGBDLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600775213 400149751 /nfs/dbraw/zinc/14/97/51/400149751.db2.gz LYBBKGLRJSDKFN-UHFFFAOYSA-N 2 2 305.403 3.104 20 5 DGBDLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600775213 400149756 /nfs/dbraw/zinc/14/97/56/400149756.db2.gz LYBBKGLRJSDKFN-UHFFFAOYSA-N 2 2 305.403 3.104 20 5 DGBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206409 400276882 /nfs/dbraw/zinc/27/68/82/400276882.db2.gz VSWGIQPDMCPMLT-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206409 400276885 /nfs/dbraw/zinc/27/68/85/400276885.db2.gz VSWGIQPDMCPMLT-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206409 400276887 /nfs/dbraw/zinc/27/68/87/400276887.db2.gz VSWGIQPDMCPMLT-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589206409 400276889 /nfs/dbraw/zinc/27/68/89/400276889.db2.gz VSWGIQPDMCPMLT-XHDPSFHLSA-N 2 2 311.813 3.020 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000611261860 400368063 /nfs/dbraw/zinc/36/80/63/400368063.db2.gz NILRWRHVABHAKL-OMVNSRBRSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000611261860 400368069 /nfs/dbraw/zinc/36/80/69/400368069.db2.gz NILRWRHVABHAKL-OMVNSRBRSA-N 2 2 312.373 3.211 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268079 400370016 /nfs/dbraw/zinc/37/00/16/400370016.db2.gz FTDLCLLBQHVGJB-UYZDIKGJSA-N 2 2 312.373 3.142 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268079 400370019 /nfs/dbraw/zinc/37/00/19/400370019.db2.gz FTDLCLLBQHVGJB-UYZDIKGJSA-N 2 2 312.373 3.142 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611516001 400413618 /nfs/dbraw/zinc/41/36/18/400413618.db2.gz YZTQXRBJHYUHIM-GOEBONIOSA-N 2 2 314.389 3.498 20 5 DGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611516001 400413624 /nfs/dbraw/zinc/41/36/24/400413624.db2.gz YZTQXRBJHYUHIM-GOEBONIOSA-N 2 2 314.389 3.498 20 5 DGBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578081 400541237 /nfs/dbraw/zinc/54/12/37/400541237.db2.gz WFMMNBHJMVUHAO-UONOGXRCSA-N 2 2 323.462 3.197 20 5 DGBDLP C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000599062852 400945058 /nfs/dbraw/zinc/94/50/58/400945058.db2.gz VPOBUDASBSSWSZ-WCQYABFASA-N 2 2 312.373 3.180 20 5 DGBDLP C[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000599062852 400945062 /nfs/dbraw/zinc/94/50/62/400945062.db2.gz VPOBUDASBSSWSZ-WCQYABFASA-N 2 2 312.373 3.180 20 5 DGBDLP CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085649 400955425 /nfs/dbraw/zinc/95/54/25/400955425.db2.gz UVKPAMABYOJUJM-GFCCVEGCSA-N 2 2 302.378 3.284 20 5 DGBDLP CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599085649 400955430 /nfs/dbraw/zinc/95/54/30/400955430.db2.gz UVKPAMABYOJUJM-GFCCVEGCSA-N 2 2 302.378 3.284 20 5 DGBDLP C[NH+](C)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599073123 400950037 /nfs/dbraw/zinc/95/00/37/400950037.db2.gz LHGCFHFHOJKUIN-AWEZNQCLSA-N 2 2 314.389 3.064 20 5 DGBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599072929 400950073 /nfs/dbraw/zinc/95/00/73/400950073.db2.gz COILPYSFUZLKPZ-PBHICJAKSA-N 2 2 315.417 3.189 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598998853 400925812 /nfs/dbraw/zinc/92/58/12/400925812.db2.gz JAUAYYMUIGEQNZ-WVRJYTFGSA-N 2 2 315.417 3.215 20 5 DGBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598998853 400925817 /nfs/dbraw/zinc/92/58/17/400925817.db2.gz JAUAYYMUIGEQNZ-WVRJYTFGSA-N 2 2 315.417 3.215 20 5 DGBDLP CC(C)[N@@H+]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599032758 400933253 /nfs/dbraw/zinc/93/32/53/400933253.db2.gz WDARCWLGQNJXKG-CYBMUJFWSA-N 2 2 314.389 3.285 20 5 DGBDLP CC(C)[N@H+]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599032758 400933258 /nfs/dbraw/zinc/93/32/58/400933258.db2.gz WDARCWLGQNJXKG-CYBMUJFWSA-N 2 2 314.389 3.285 20 5 DGBDLP CCC[N@@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110232 400961222 /nfs/dbraw/zinc/96/12/22/400961222.db2.gz MGLQDKJCIINEAR-ZDUSSCGKSA-N 2 2 300.362 3.039 20 5 DGBDLP CCC[N@H+]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110232 400961232 /nfs/dbraw/zinc/96/12/32/400961232.db2.gz MGLQDKJCIINEAR-ZDUSSCGKSA-N 2 2 300.362 3.039 20 5 DGBDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000249032774 401080693 /nfs/dbraw/zinc/08/06/93/401080693.db2.gz RMQKTGZNDJOWBR-DFHBCGBQSA-N 2 2 315.417 3.187 20 5 DGBDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[N@H+]1C1CC1 ZINC000249032774 401080701 /nfs/dbraw/zinc/08/07/01/401080701.db2.gz RMQKTGZNDJOWBR-DFHBCGBQSA-N 2 2 315.417 3.187 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000615724264 401144101 /nfs/dbraw/zinc/14/41/01/401144101.db2.gz WPKAIMXUDWBJEF-DZXKJOIRSA-N 2 2 315.417 3.072 20 5 DGBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000615724264 401144105 /nfs/dbraw/zinc/14/41/05/401144105.db2.gz WPKAIMXUDWBJEF-DZXKJOIRSA-N 2 2 315.417 3.072 20 5 DGBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019196 /nfs/dbraw/zinc/01/91/96/196019196.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019198 /nfs/dbraw/zinc/01/91/98/196019198.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019200 /nfs/dbraw/zinc/01/92/00/196019200.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000129100142 196019201 /nfs/dbraw/zinc/01/92/01/196019201.db2.gz QJVFIFZJCGUZOK-HIFRSBDPSA-N 2 2 323.824 3.164 20 5 DGBDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035565 432213410 /nfs/dbraw/zinc/21/34/10/432213410.db2.gz JOHQDYOMYJYBTE-OAHLLOKOSA-N 2 2 313.401 3.377 20 5 DGBDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000151035565 432213412 /nfs/dbraw/zinc/21/34/12/432213412.db2.gz JOHQDYOMYJYBTE-OAHLLOKOSA-N 2 2 313.401 3.377 20 5 DGBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107863 /nfs/dbraw/zinc/10/78/63/265107863.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107865 /nfs/dbraw/zinc/10/78/65/265107865.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107866 /nfs/dbraw/zinc/10/78/66/265107866.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352618706 265107867 /nfs/dbraw/zinc/10/78/67/265107867.db2.gz SSLXIDAWJQAHEZ-JSGCOSHPSA-N 2 2 309.385 3.039 20 5 DGBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264328 /nfs/dbraw/zinc/26/43/28/265264328.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264330 /nfs/dbraw/zinc/26/43/30/265264330.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264332 /nfs/dbraw/zinc/26/43/32/265264332.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 2 2 317.433 3.244 20 5 DGBDLP CC(C)c1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000353011379 265264336 /nfs/dbraw/zinc/26/43/36/265264336.db2.gz WSAYKPFNFGQBPS-YJBOKZPZSA-N 2 2 317.433 3.244 20 5 DGBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCn3cc[nH+]c3)c2c1 ZINC000518722131 429431931 /nfs/dbraw/zinc/43/19/31/429431931.db2.gz TUBDLRIRCCDKOZ-UHFFFAOYSA-N 2 2 311.345 3.232 20 5 DGBDLP CC1(C)C[C@H]([NH2+]CC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433135060 275867626 /nfs/dbraw/zinc/86/76/26/275867626.db2.gz SPKUWIZFLWRHIY-INIZCTEOSA-N 2 2 303.406 3.003 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175882 276187526 /nfs/dbraw/zinc/18/75/26/276187526.db2.gz NEFNFOLNYZZDIW-WMLDXEAASA-N 2 2 317.433 3.391 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175882 276187527 /nfs/dbraw/zinc/18/75/27/276187527.db2.gz NEFNFOLNYZZDIW-WMLDXEAASA-N 2 2 317.433 3.391 20 5 DGBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175884 279336892 /nfs/dbraw/zinc/33/68/92/279336892.db2.gz NEFNFOLNYZZDIW-YOEHRIQHSA-N 2 2 317.433 3.391 20 5 DGBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433175884 279336896 /nfs/dbraw/zinc/33/68/96/279336896.db2.gz NEFNFOLNYZZDIW-YOEHRIQHSA-N 2 2 317.433 3.391 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004399 431514655 /nfs/dbraw/zinc/51/46/55/431514655.db2.gz UPNMTKABHCNLIW-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000076004399 431514657 /nfs/dbraw/zinc/51/46/57/431514657.db2.gz UPNMTKABHCNLIW-HNNXBMFYSA-N 2 2 305.422 3.067 20 5 DGBDLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396769 432496710 /nfs/dbraw/zinc/49/67/10/432496710.db2.gz MGAFNJJNGIROOX-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396769 432496712 /nfs/dbraw/zinc/49/67/12/432496712.db2.gz MGAFNJJNGIROOX-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396769 432496716 /nfs/dbraw/zinc/49/67/16/432496716.db2.gz MGAFNJJNGIROOX-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154396769 432496718 /nfs/dbraw/zinc/49/67/18/432496718.db2.gz MGAFNJJNGIROOX-HNNXBMFYSA-N 2 2 303.406 3.044 20 5 DGBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279226055 432947424 /nfs/dbraw/zinc/94/74/24/432947424.db2.gz ZMBRJTSVPQNFMS-MLGOLLRUSA-N 2 2 314.389 3.192 20 5 DGBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000368218010 293105568 /nfs/dbraw/zinc/10/55/68/293105568.db2.gz CJPBDLLQKHWWJH-OAHLLOKOSA-N 2 2 314.389 3.075 20 5 DGBDLP CC[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414822849 433861851 /nfs/dbraw/zinc/86/18/51/433861851.db2.gz HGTWCGUVTLWQRJ-UHFFFAOYSA-N 2 2 305.403 3.022 20 5 DGBDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423203723 293915300 /nfs/dbraw/zinc/91/53/00/293915300.db2.gz NBWLGPXSKNRYGX-NEPJUHHUSA-N 2 2 317.414 3.336 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410326 434438631 /nfs/dbraw/zinc/43/86/31/434438631.db2.gz QQAPDMXTIIKPFJ-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397410326 434438635 /nfs/dbraw/zinc/43/86/35/434438635.db2.gz QQAPDMXTIIKPFJ-NQBHXWOUSA-N 2 2 311.813 3.053 20 5 DGBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652913 /nfs/dbraw/zinc/65/29/13/434652913.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 2 2 315.417 3.026 20 5 DGBDLP C[N@H+]1CCC[C@@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652918 /nfs/dbraw/zinc/65/29/18/434652918.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652925 /nfs/dbraw/zinc/65/29/25/434652925.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 2 2 315.417 3.026 20 5 DGBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000354167925 434652937 /nfs/dbraw/zinc/65/29/37/434652937.db2.gz USJZSQOAKXUMLW-NCRRVARUSA-N 2 2 315.417 3.026 20 5 DGBDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349413832 434710231 /nfs/dbraw/zinc/71/02/31/434710231.db2.gz FMSIAJOHDJSTIH-UHFFFAOYSA-N 2 2 309.385 3.042 20 5 DGBDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349413832 434710239 /nfs/dbraw/zinc/71/02/39/434710239.db2.gz FMSIAJOHDJSTIH-UHFFFAOYSA-N 2 2 309.385 3.042 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371880750 434766044 /nfs/dbraw/zinc/76/60/44/434766044.db2.gz ZZTHORWKOIUIKL-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000371880750 434766045 /nfs/dbraw/zinc/76/60/45/434766045.db2.gz ZZTHORWKOIUIKL-LBPRGKRZSA-N 2 2 320.780 3.351 20 5 DGBDLP Cc1ccc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC000543049670 314111264 /nfs/dbraw/zinc/11/12/64/314111264.db2.gz WKIJJUJSQPMXNF-UHFFFAOYSA-N 2 2 322.368 3.231 20 5 DGBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000157480482 521563904 /nfs/dbraw/zinc/56/39/04/521563904.db2.gz HLLFBXNSSIKXOQ-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000157480482 521563909 /nfs/dbraw/zinc/56/39/09/521563909.db2.gz HLLFBXNSSIKXOQ-UHFFFAOYSA-N 2 2 311.813 3.164 20 5 DGBDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415034875 527795284 /nfs/dbraw/zinc/79/52/84/527795284.db2.gz IJBKDHABHRFIFE-MRXNPFEDSA-N 2 2 315.373 3.085 20 5 DGBDLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000902438267 619636116 /nfs/dbraw/zinc/63/61/16/619636116.db2.gz LWPSKCUSLOWQJO-KZNAEPCWSA-N 2 2 311.385 3.260 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815409 619814401 /nfs/dbraw/zinc/81/44/01/619814401.db2.gz QWWXDPUPIUDBJV-MRXNPFEDSA-N 2 2 321.396 3.217 20 5 DGBDLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000903815409 619814403 /nfs/dbraw/zinc/81/44/03/619814403.db2.gz QWWXDPUPIUDBJV-MRXNPFEDSA-N 2 2 321.396 3.217 20 5 DGBDLP Cc1c(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133708 623044523 /nfs/dbraw/zinc/04/45/23/623044523.db2.gz UHOOPAKRUHEVQH-RDJZCZTQSA-N 2 2 303.406 3.010 20 5 DGBDLP Cc1c(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000873133708 623044528 /nfs/dbraw/zinc/04/45/28/623044528.db2.gz UHOOPAKRUHEVQH-RDJZCZTQSA-N 2 2 303.406 3.010 20 5 DGBDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000876957317 623754781 /nfs/dbraw/zinc/75/47/81/623754781.db2.gz XHXGMWPVWULPAK-MRXNPFEDSA-N 2 2 316.405 3.038 20 5 DGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000783551978 624365125 /nfs/dbraw/zinc/36/51/25/624365125.db2.gz APLXNUPNUVRJRD-UHFFFAOYSA-N 2 2 320.780 3.351 20 5 DGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109335 657371924 /nfs/dbraw/zinc/37/19/24/657371924.db2.gz WHDXRBRGDIGVJO-IAQYHMDHSA-N 2 2 317.414 3.102 20 5 DGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1[NH3+] ZINC000262109335 657371929 /nfs/dbraw/zinc/37/19/29/657371929.db2.gz WHDXRBRGDIGVJO-IAQYHMDHSA-N 2 2 317.414 3.102 20 5 DGBDLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001654626598 1195824133 /nfs/dbraw/zinc/82/41/33/1195824133.db2.gz RLBSVFDBSOGUKZ-UHFFFAOYSA-N 2 2 323.412 3.432 20 5 DGBDLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC001654626598 1195824136 /nfs/dbraw/zinc/82/41/36/1195824136.db2.gz RLBSVFDBSOGUKZ-UHFFFAOYSA-N 2 2 323.412 3.432 20 5 DGBDLP