smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177203969 546569712 /nfs/dbraw/zinc/56/97/12/546569712.db2.gz ABUFGFVNKSKCOU-HIFRSBDPSA-N 2 2 357.414 2.239 10 5 FEBELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000177203969 546569716 /nfs/dbraw/zinc/56/97/16/546569716.db2.gz ABUFGFVNKSKCOU-HIFRSBDPSA-N 2 2 357.414 2.239 10 5 FEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130452 543206025 /nfs/dbraw/zinc/20/60/25/543206025.db2.gz OUXGGEQWAPUKPH-UHFFFAOYSA-N 2 2 373.457 2.396 10 5 FEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130452 543206026 /nfs/dbraw/zinc/20/60/26/543206026.db2.gz OUXGGEQWAPUKPH-UHFFFAOYSA-N 2 2 373.457 2.396 10 5 FEBELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610334 /nfs/dbraw/zinc/61/03/34/548610334.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 2 2 370.453 2.477 10 5 FEBELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610338 /nfs/dbraw/zinc/61/03/38/548610338.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 2 2 370.453 2.477 10 5 FEBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610343 /nfs/dbraw/zinc/61/03/43/548610343.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 2 2 370.453 2.477 10 5 FEBELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278952 548610349 /nfs/dbraw/zinc/61/03/49/548610349.db2.gz FSBHERBHLTVSTC-XLIONFOSSA-N 2 2 370.453 2.477 10 5 FEBELP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(N)c([N+](=O)[O-])c4)[nH+]c3c2)CC1 ZINC000034190202 539977075 /nfs/dbraw/zinc/97/70/75/539977075.db2.gz OPDPHVPWVJKBIO-UHFFFAOYSA-N 2 2 352.398 2.472 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182227779 547456833 /nfs/dbraw/zinc/45/68/33/547456833.db2.gz FKUCNAUIRRWRGC-HZPDHXFCSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182227779 547456836 /nfs/dbraw/zinc/45/68/36/547456836.db2.gz FKUCNAUIRRWRGC-HZPDHXFCSA-N 2 2 372.425 2.164 10 5 FEBELP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128961 543205793 /nfs/dbraw/zinc/20/57/93/543205793.db2.gz SHYYAISAKHPDED-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128961 543205795 /nfs/dbraw/zinc/20/57/95/543205795.db2.gz SHYYAISAKHPDED-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000106215031 543218049 /nfs/dbraw/zinc/21/80/49/543218049.db2.gz DSMMCNYRTDBHFO-HNNXBMFYSA-N 2 2 357.414 2.290 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000106215031 543218052 /nfs/dbraw/zinc/21/80/52/543218052.db2.gz DSMMCNYRTDBHFO-HNNXBMFYSA-N 2 2 357.414 2.290 10 5 FEBELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc[nH+]1 ZINC000183471268 547666283 /nfs/dbraw/zinc/66/62/83/547666283.db2.gz PRPBOSLGIWSMQW-MRXNPFEDSA-N 2 2 356.430 2.494 10 5 FEBELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175047144 327370628 /nfs/dbraw/zinc/37/06/28/327370628.db2.gz AOPCVVMUEBIZIN-JKSUJKDBSA-N 2 2 369.425 2.479 10 5 FEBELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175047144 327370629 /nfs/dbraw/zinc/37/06/29/327370629.db2.gz AOPCVVMUEBIZIN-JKSUJKDBSA-N 2 2 369.425 2.479 10 5 FEBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)o2)c(Cl)c1 ZINC000263180928 549884069 /nfs/dbraw/zinc/88/40/69/549884069.db2.gz GTTRIJFDAHNQOE-ZUZCIYMTSA-N 2 2 351.790 2.178 10 5 FEBELP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128681 543205984 /nfs/dbraw/zinc/20/59/84/543205984.db2.gz YRDDHFNVQPAGIM-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128681 543205985 /nfs/dbraw/zinc/20/59/85/543205985.db2.gz YRDDHFNVQPAGIM-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214254 543218487 /nfs/dbraw/zinc/21/84/87/543218487.db2.gz AVIOAAAZELECLD-SJORKVTESA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214254 543218490 /nfs/dbraw/zinc/21/84/90/543218490.db2.gz AVIOAAAZELECLD-SJORKVTESA-N 2 2 374.441 2.431 10 5 FEBELP CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000262186584 549797253 /nfs/dbraw/zinc/79/72/53/549797253.db2.gz JEYHVILOESHQTR-APWZRJJASA-N 2 2 368.437 2.232 10 5 FEBELP CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000262186584 549797256 /nfs/dbraw/zinc/79/72/56/549797256.db2.gz JEYHVILOESHQTR-APWZRJJASA-N 2 2 368.437 2.232 10 5 FEBELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176965093 546516366 /nfs/dbraw/zinc/51/63/66/546516366.db2.gz HBYUSQDIPVSHQJ-OAHLLOKOSA-N 2 2 357.414 2.337 10 5 FEBELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176965093 546516369 /nfs/dbraw/zinc/51/63/69/546516369.db2.gz HBYUSQDIPVSHQJ-OAHLLOKOSA-N 2 2 357.414 2.337 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295263 546770060 /nfs/dbraw/zinc/77/00/60/546770060.db2.gz WRYVWPAGGPZHLW-SJORKVTESA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295263 546770066 /nfs/dbraw/zinc/77/00/66/546770066.db2.gz WRYVWPAGGPZHLW-SJORKVTESA-N 2 2 360.414 2.004 10 5 FEBELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000178746651 546842608 /nfs/dbraw/zinc/84/26/08/546842608.db2.gz IGIKFGOYHXPCQT-CQSZACIVSA-N 2 2 373.413 2.211 10 5 FEBELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000178746651 546842612 /nfs/dbraw/zinc/84/26/12/546842612.db2.gz IGIKFGOYHXPCQT-CQSZACIVSA-N 2 2 373.413 2.211 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000246088608 549048566 /nfs/dbraw/zinc/04/85/66/549048566.db2.gz FWGBSLISURQAQG-NVXWUHKLSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000246088608 549048567 /nfs/dbraw/zinc/04/85/67/549048567.db2.gz FWGBSLISURQAQG-NVXWUHKLSA-N 2 2 372.425 2.164 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295251 546770212 /nfs/dbraw/zinc/77/02/12/546770212.db2.gz WRYVWPAGGPZHLW-IRXDYDNUSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000178295251 546770215 /nfs/dbraw/zinc/77/02/15/546770215.db2.gz WRYVWPAGGPZHLW-IRXDYDNUSA-N 2 2 360.414 2.004 10 5 FEBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)o2)c(Cl)c1 ZINC000263180924 549884112 /nfs/dbraw/zinc/88/41/12/549884112.db2.gz GTTRIJFDAHNQOE-BONVTDFDSA-N 2 2 351.790 2.178 10 5 FEBELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000109069836 325657752 /nfs/dbraw/zinc/65/77/52/325657752.db2.gz YOEVCJRVQNGRAB-OAHLLOKOSA-N 2 2 356.430 2.494 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745985 546843395 /nfs/dbraw/zinc/84/33/95/546843395.db2.gz YCWTYLHXMJTYOM-QGZVFWFLSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745985 546843400 /nfs/dbraw/zinc/84/34/00/546843400.db2.gz YCWTYLHXMJTYOM-QGZVFWFLSA-N 2 2 369.425 2.153 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935505 549245291 /nfs/dbraw/zinc/24/52/91/549245291.db2.gz AVIOAAAZELECLD-IAGOWNOFSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935505 549245292 /nfs/dbraw/zinc/24/52/92/549245292.db2.gz AVIOAAAZELECLD-IAGOWNOFSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214258 543218754 /nfs/dbraw/zinc/21/87/54/543218754.db2.gz AVIOAAAZELECLD-IRXDYDNUSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000106214258 543218757 /nfs/dbraw/zinc/21/87/57/543218757.db2.gz AVIOAAAZELECLD-IRXDYDNUSA-N 2 2 374.441 2.431 10 5 FEBELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176965109 546516028 /nfs/dbraw/zinc/51/60/28/546516028.db2.gz HBYUSQDIPVSHQJ-HNNXBMFYSA-N 2 2 357.414 2.337 10 5 FEBELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176965109 546516033 /nfs/dbraw/zinc/51/60/33/546516033.db2.gz HBYUSQDIPVSHQJ-HNNXBMFYSA-N 2 2 357.414 2.337 10 5 FEBELP C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189902874 328174995 /nfs/dbraw/zinc/17/49/95/328174995.db2.gz RPGNLPUQWJVPIC-AWEZNQCLSA-N 2 2 353.382 2.293 10 5 FEBELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000246718809 549195629 /nfs/dbraw/zinc/19/56/29/549195629.db2.gz ABUFGFVNKSKCOU-DZGCQCFKSA-N 2 2 357.414 2.239 10 5 FEBELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000246718809 549195631 /nfs/dbraw/zinc/19/56/31/549195631.db2.gz ABUFGFVNKSKCOU-DZGCQCFKSA-N 2 2 357.414 2.239 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000106215028 543218452 /nfs/dbraw/zinc/21/84/52/543218452.db2.gz DSMMCNYRTDBHFO-OAHLLOKOSA-N 2 2 357.414 2.290 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000106215028 543218454 /nfs/dbraw/zinc/21/84/54/543218454.db2.gz DSMMCNYRTDBHFO-OAHLLOKOSA-N 2 2 357.414 2.290 10 5 FEBELP Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108951645 325654637 /nfs/dbraw/zinc/65/46/37/325654637.db2.gz MCAXPYHCXDUDLZ-INIZCTEOSA-N 2 2 357.414 2.127 10 5 FEBELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175047127 327370741 /nfs/dbraw/zinc/37/07/41/327370741.db2.gz AOPCVVMUEBIZIN-HZPDHXFCSA-N 2 2 369.425 2.479 10 5 FEBELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175047127 327370742 /nfs/dbraw/zinc/37/07/42/327370742.db2.gz AOPCVVMUEBIZIN-HZPDHXFCSA-N 2 2 369.425 2.479 10 5 FEBELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000106469901 325599763 /nfs/dbraw/zinc/59/97/63/325599763.db2.gz WSNFYWVBPGRFAY-AWEZNQCLSA-N 2 2 372.429 2.194 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246088606 549048492 /nfs/dbraw/zinc/04/84/92/549048492.db2.gz FWGBSLISURQAQG-DOTOQJQBSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246088606 549048496 /nfs/dbraw/zinc/04/84/96/549048496.db2.gz FWGBSLISURQAQG-DOTOQJQBSA-N 2 2 372.425 2.164 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752795 546844817 /nfs/dbraw/zinc/84/48/17/546844817.db2.gz RISUMSLVTWHWSG-QGZVFWFLSA-N 2 2 357.414 2.227 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752795 546844824 /nfs/dbraw/zinc/84/48/24/546844824.db2.gz RISUMSLVTWHWSG-QGZVFWFLSA-N 2 2 357.414 2.227 10 5 FEBELP Cc1cc(N2CCC([N@H+](C)CCO)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301266208 553637371 /nfs/dbraw/zinc/63/73/71/553637371.db2.gz WGZWUBOWJHZXJV-UHFFFAOYSA-N 2 2 371.441 2.253 10 5 FEBELP Cc1cc(N2CCC([N@@H+](C)CCO)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301266208 553637373 /nfs/dbraw/zinc/63/73/73/553637373.db2.gz WGZWUBOWJHZXJV-UHFFFAOYSA-N 2 2 371.441 2.253 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375329 549424060 /nfs/dbraw/zinc/42/40/60/549424060.db2.gz WIXCQFHATYIWKT-HZPDHXFCSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375329 549424062 /nfs/dbraw/zinc/42/40/62/549424062.db2.gz WIXCQFHATYIWKT-HZPDHXFCSA-N 2 2 374.441 2.431 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956135 547412521 /nfs/dbraw/zinc/41/25/21/547412521.db2.gz RUYBJNGPLMAVEF-HOTGVXAUSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956135 547412526 /nfs/dbraw/zinc/41/25/26/547412526.db2.gz RUYBJNGPLMAVEF-HOTGVXAUSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465658 549446834 /nfs/dbraw/zinc/44/68/34/549446834.db2.gz RUYBJNGPLMAVEF-HZPDHXFCSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465658 549446835 /nfs/dbraw/zinc/44/68/35/549446835.db2.gz RUYBJNGPLMAVEF-HZPDHXFCSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465659 549446155 /nfs/dbraw/zinc/44/61/55/549446155.db2.gz RUYBJNGPLMAVEF-JKSUJKDBSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248465659 549446161 /nfs/dbraw/zinc/44/61/61/549446161.db2.gz RUYBJNGPLMAVEF-JKSUJKDBSA-N 2 2 360.414 2.004 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171643519 327150803 /nfs/dbraw/zinc/15/08/03/327150803.db2.gz FWGBSLISURQAQG-RDJZCZTQSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171643519 327150804 /nfs/dbraw/zinc/15/08/04/327150804.db2.gz FWGBSLISURQAQG-RDJZCZTQSA-N 2 2 372.425 2.164 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745975 546843515 /nfs/dbraw/zinc/84/35/15/546843515.db2.gz YCWTYLHXMJTYOM-KRWDZBQOSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000178745975 546843520 /nfs/dbraw/zinc/84/35/20/546843520.db2.gz YCWTYLHXMJTYOM-KRWDZBQOSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265811 548606118 /nfs/dbraw/zinc/60/61/18/548606118.db2.gz WENAGCUIPSHBPG-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265811 548606123 /nfs/dbraw/zinc/60/61/23/548606123.db2.gz WENAGCUIPSHBPG-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265811 548606129 /nfs/dbraw/zinc/60/61/29/548606129.db2.gz WENAGCUIPSHBPG-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265811 548606135 /nfs/dbraw/zinc/60/61/35/548606135.db2.gz WENAGCUIPSHBPG-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752095 546844162 /nfs/dbraw/zinc/84/41/62/546844162.db2.gz XBSDKRJKMQBBNZ-KRWDZBQOSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752095 546844164 /nfs/dbraw/zinc/84/41/64/546844164.db2.gz XBSDKRJKMQBBNZ-KRWDZBQOSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956156 547412427 /nfs/dbraw/zinc/41/24/27/547412427.db2.gz RUYBJNGPLMAVEF-CVEARBPZSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181956156 547412433 /nfs/dbraw/zinc/41/24/33/547412433.db2.gz RUYBJNGPLMAVEF-CVEARBPZSA-N 2 2 360.414 2.004 10 5 FEBELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000246829683 549223873 /nfs/dbraw/zinc/22/38/73/549223873.db2.gz AOPCVVMUEBIZIN-CVEARBPZSA-N 2 2 369.425 2.479 10 5 FEBELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000246829683 549223877 /nfs/dbraw/zinc/22/38/77/549223877.db2.gz AOPCVVMUEBIZIN-CVEARBPZSA-N 2 2 369.425 2.479 10 5 FEBELP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177735256 546676930 /nfs/dbraw/zinc/67/69/30/546676930.db2.gz CBPNXALEAJGJSI-OAHLLOKOSA-N 2 2 366.381 2.282 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193606 549297426 /nfs/dbraw/zinc/29/74/26/549297426.db2.gz WRYVWPAGGPZHLW-IAGOWNOFSA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193606 549297429 /nfs/dbraw/zinc/29/74/29/549297429.db2.gz WRYVWPAGGPZHLW-IAGOWNOFSA-N 2 2 360.414 2.004 10 5 FEBELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000113226085 543477729 /nfs/dbraw/zinc/47/77/29/543477729.db2.gz YXMUNPHETWVTPE-DZGCQCFKSA-N 2 2 355.398 2.089 10 5 FEBELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000113226085 543477732 /nfs/dbraw/zinc/47/77/32/543477732.db2.gz YXMUNPHETWVTPE-DZGCQCFKSA-N 2 2 355.398 2.089 10 5 FEBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)o2)c(Cl)c1 ZINC000263180922 549884017 /nfs/dbraw/zinc/88/40/17/549884017.db2.gz GTTRIJFDAHNQOE-BMIGLBTASA-N 2 2 351.790 2.178 10 5 FEBELP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747871 546843421 /nfs/dbraw/zinc/84/34/21/546843421.db2.gz PBZNITLVDZWRAX-OAHLLOKOSA-N 2 2 373.413 2.211 10 5 FEBELP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747871 546843427 /nfs/dbraw/zinc/84/34/27/546843427.db2.gz PBZNITLVDZWRAX-OAHLLOKOSA-N 2 2 373.413 2.211 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182227797 547456817 /nfs/dbraw/zinc/45/68/17/547456817.db2.gz FKUCNAUIRRWRGC-CVEARBPZSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182227797 547456820 /nfs/dbraw/zinc/45/68/20/547456820.db2.gz FKUCNAUIRRWRGC-CVEARBPZSA-N 2 2 372.425 2.164 10 5 FEBELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000106128896 543205497 /nfs/dbraw/zinc/20/54/97/543205497.db2.gz AKMAGVRRQLUHSN-UHFFFAOYSA-N 2 2 373.457 2.396 10 5 FEBELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1[N+](=O)[O-] ZINC000106128896 543205501 /nfs/dbraw/zinc/20/55/01/543205501.db2.gz AKMAGVRRQLUHSN-UHFFFAOYSA-N 2 2 373.457 2.396 10 5 FEBELP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000106128727 543206107 /nfs/dbraw/zinc/20/61/07/543206107.db2.gz QLHNHMBXHGTNKW-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000106128727 543206108 /nfs/dbraw/zinc/20/61/08/543206108.db2.gz QLHNHMBXHGTNKW-UHFFFAOYSA-N 2 2 373.457 2.267 10 5 FEBELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647529 327151443 /nfs/dbraw/zinc/15/14/43/327151443.db2.gz UAAJSGAGVXXSAC-AWEZNQCLSA-N 2 2 355.398 2.362 10 5 FEBELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647529 327151444 /nfs/dbraw/zinc/15/14/44/327151444.db2.gz UAAJSGAGVXXSAC-AWEZNQCLSA-N 2 2 355.398 2.362 10 5 FEBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604223 /nfs/dbraw/zinc/60/42/23/548604223.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604225 /nfs/dbraw/zinc/60/42/25/548604225.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604227 /nfs/dbraw/zinc/60/42/27/548604227.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251675 548604229 /nfs/dbraw/zinc/60/42/29/548604229.db2.gz DWDFTTJZOLZIBZ-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239667 547459459 /nfs/dbraw/zinc/45/94/59/547459459.db2.gz WIXCQFHATYIWKT-HOTGVXAUSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239667 547459462 /nfs/dbraw/zinc/45/94/62/547459462.db2.gz WIXCQFHATYIWKT-HOTGVXAUSA-N 2 2 374.441 2.431 10 5 FEBELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606864 /nfs/dbraw/zinc/60/68/64/548606864.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606866 /nfs/dbraw/zinc/60/68/66/548606866.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606870 /nfs/dbraw/zinc/60/68/70/548606870.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000195265822 548606873 /nfs/dbraw/zinc/60/68/73/548606873.db2.gz WENAGCUIPSHBPG-CQSZACIVSA-N 2 2 364.475 2.010 10 5 FEBELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247547001 549354486 /nfs/dbraw/zinc/35/44/86/549354486.db2.gz YXMUNPHETWVTPE-HIFRSBDPSA-N 2 2 355.398 2.089 10 5 FEBELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247547001 549354488 /nfs/dbraw/zinc/35/44/88/549354488.db2.gz YXMUNPHETWVTPE-HIFRSBDPSA-N 2 2 355.398 2.089 10 5 FEBELP NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000171644171 327150824 /nfs/dbraw/zinc/15/08/24/327150824.db2.gz YWYSVDNWNGDZIM-ZDUSSCGKSA-N 2 2 355.398 2.023 10 5 FEBELP NC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000171644171 327150825 /nfs/dbraw/zinc/15/08/25/327150825.db2.gz YWYSVDNWNGDZIM-ZDUSSCGKSA-N 2 2 355.398 2.023 10 5 FEBELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)nc[nH+]1 ZINC000106469897 543231358 /nfs/dbraw/zinc/23/13/58/543231358.db2.gz WSNFYWVBPGRFAY-CQSZACIVSA-N 2 2 372.429 2.194 10 5 FEBELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000113226084 543477552 /nfs/dbraw/zinc/47/75/52/543477552.db2.gz YXMUNPHETWVTPE-UKRRQHHQSA-N 2 2 355.398 2.089 10 5 FEBELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000113226084 543477553 /nfs/dbraw/zinc/47/75/53/543477553.db2.gz YXMUNPHETWVTPE-UKRRQHHQSA-N 2 2 355.398 2.089 10 5 FEBELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261640618 549738402 /nfs/dbraw/zinc/73/84/02/549738402.db2.gz FPUXYEFQMAAKSA-CVEARBPZSA-N 2 2 354.410 2.208 10 5 FEBELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261640618 549738406 /nfs/dbraw/zinc/73/84/06/549738406.db2.gz FPUXYEFQMAAKSA-CVEARBPZSA-N 2 2 354.410 2.208 10 5 FEBELP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)o2)c(Cl)c1 ZINC000263180926 549884183 /nfs/dbraw/zinc/88/41/83/549884183.db2.gz GTTRIJFDAHNQOE-MEBBXXQBSA-N 2 2 351.790 2.178 10 5 FEBELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251662 548604093 /nfs/dbraw/zinc/60/40/93/548604093.db2.gz DWDFTTJZOLZIBZ-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251662 548604095 /nfs/dbraw/zinc/60/40/95/548604095.db2.gz DWDFTTJZOLZIBZ-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251662 548604097 /nfs/dbraw/zinc/60/40/97/548604097.db2.gz DWDFTTJZOLZIBZ-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195251662 548604099 /nfs/dbraw/zinc/60/40/99/548604099.db2.gz DWDFTTJZOLZIBZ-AWEZNQCLSA-N 2 2 364.475 2.010 10 5 FEBELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247547012 549353771 /nfs/dbraw/zinc/35/37/71/549353771.db2.gz YXMUNPHETWVTPE-ZFWWWQNUSA-N 2 2 355.398 2.089 10 5 FEBELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247547012 549353778 /nfs/dbraw/zinc/35/37/78/549353778.db2.gz YXMUNPHETWVTPE-ZFWWWQNUSA-N 2 2 355.398 2.089 10 5 FEBELP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643805 327150640 /nfs/dbraw/zinc/15/06/40/327150640.db2.gz IDDFABROBBAKQX-HNNXBMFYSA-N 2 2 369.425 2.387 10 5 FEBELP CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643805 327150641 /nfs/dbraw/zinc/15/06/41/327150641.db2.gz IDDFABROBBAKQX-HNNXBMFYSA-N 2 2 369.425 2.387 10 5 FEBELP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000153151407 326725317 /nfs/dbraw/zinc/72/53/17/326725317.db2.gz IGAZICGDNFNGAP-HOCLYGCPSA-N 2 2 351.447 2.491 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375330 549424032 /nfs/dbraw/zinc/42/40/32/549424032.db2.gz WIXCQFHATYIWKT-JKSUJKDBSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248375330 549424033 /nfs/dbraw/zinc/42/40/33/549424033.db2.gz WIXCQFHATYIWKT-JKSUJKDBSA-N 2 2 374.441 2.431 10 5 FEBELP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128888 543206099 /nfs/dbraw/zinc/20/60/99/543206099.db2.gz PXZIGJCUCJOHHC-UHFFFAOYSA-N 2 2 357.458 2.430 10 5 FEBELP C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128888 543206100 /nfs/dbraw/zinc/20/61/00/543206100.db2.gz PXZIGJCUCJOHHC-UHFFFAOYSA-N 2 2 357.458 2.430 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373004 549423543 /nfs/dbraw/zinc/42/35/43/549423543.db2.gz FKUCNAUIRRWRGC-JKSUJKDBSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373004 549423549 /nfs/dbraw/zinc/42/35/49/549423549.db2.gz FKUCNAUIRRWRGC-JKSUJKDBSA-N 2 2 372.425 2.164 10 5 FEBELP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643802 327150809 /nfs/dbraw/zinc/15/08/09/327150809.db2.gz IDDFABROBBAKQX-OAHLLOKOSA-N 2 2 369.425 2.387 10 5 FEBELP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000171643802 327150810 /nfs/dbraw/zinc/15/08/10/327150810.db2.gz IDDFABROBBAKQX-OAHLLOKOSA-N 2 2 369.425 2.387 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752108 546844557 /nfs/dbraw/zinc/84/45/57/546844557.db2.gz XBSDKRJKMQBBNZ-QGZVFWFLSA-N 2 2 369.425 2.153 10 5 FEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000178752108 546844560 /nfs/dbraw/zinc/84/45/60/546844560.db2.gz XBSDKRJKMQBBNZ-QGZVFWFLSA-N 2 2 369.425 2.153 10 5 FEBELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc[nH+]1 ZINC000183471250 547666586 /nfs/dbraw/zinc/66/65/86/547666586.db2.gz PRPBOSLGIWSMQW-INIZCTEOSA-N 2 2 356.430 2.494 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752788 546844529 /nfs/dbraw/zinc/84/45/29/546844529.db2.gz RISUMSLVTWHWSG-KRWDZBQOSA-N 2 2 357.414 2.227 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000178752788 546844535 /nfs/dbraw/zinc/84/45/35/546844535.db2.gz RISUMSLVTWHWSG-KRWDZBQOSA-N 2 2 357.414 2.227 10 5 FEBELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000178746642 546842496 /nfs/dbraw/zinc/84/24/96/546842496.db2.gz IGIKFGOYHXPCQT-AWEZNQCLSA-N 2 2 373.413 2.211 10 5 FEBELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC000178746642 546842498 /nfs/dbraw/zinc/84/24/98/546842498.db2.gz IGIKFGOYHXPCQT-AWEZNQCLSA-N 2 2 373.413 2.211 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239645 547459260 /nfs/dbraw/zinc/45/92/60/547459260.db2.gz WIXCQFHATYIWKT-CVEARBPZSA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239645 547459263 /nfs/dbraw/zinc/45/92/63/547459263.db2.gz WIXCQFHATYIWKT-CVEARBPZSA-N 2 2 374.441 2.431 10 5 FEBELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000246718830 549195431 /nfs/dbraw/zinc/19/54/31/549195431.db2.gz ABUFGFVNKSKCOU-UKRRQHHQSA-N 2 2 357.414 2.239 10 5 FEBELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000246718830 549195434 /nfs/dbraw/zinc/19/54/34/549195434.db2.gz ABUFGFVNKSKCOU-UKRRQHHQSA-N 2 2 357.414 2.239 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193591 549296967 /nfs/dbraw/zinc/29/69/67/549296967.db2.gz WRYVWPAGGPZHLW-DLBZAZTESA-N 2 2 360.414 2.004 10 5 FEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247193591 549296972 /nfs/dbraw/zinc/29/69/72/549296972.db2.gz WRYVWPAGGPZHLW-DLBZAZTESA-N 2 2 360.414 2.004 10 5 FEBELP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747861 546843258 /nfs/dbraw/zinc/84/32/58/546843258.db2.gz PBZNITLVDZWRAX-HNNXBMFYSA-N 2 2 373.413 2.211 10 5 FEBELP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747861 546843260 /nfs/dbraw/zinc/84/32/60/546843260.db2.gz PBZNITLVDZWRAX-HNNXBMFYSA-N 2 2 373.413 2.211 10 5 FEBELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000246829726 549223269 /nfs/dbraw/zinc/22/32/69/549223269.db2.gz AOPCVVMUEBIZIN-HOTGVXAUSA-N 2 2 369.425 2.479 10 5 FEBELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000246829726 549223272 /nfs/dbraw/zinc/22/32/72/549223272.db2.gz AOPCVVMUEBIZIN-HOTGVXAUSA-N 2 2 369.425 2.479 10 5 FEBELP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000153151627 544738999 /nfs/dbraw/zinc/73/89/99/544738999.db2.gz IGAZICGDNFNGAP-GOEBONIOSA-N 2 2 351.447 2.491 10 5 FEBELP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000153151302 544739455 /nfs/dbraw/zinc/73/94/55/544739455.db2.gz IGAZICGDNFNGAP-ZBFHGGJFSA-N 2 2 351.447 2.491 10 5 FEBELP C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189902892 328174869 /nfs/dbraw/zinc/17/48/69/328174869.db2.gz RPGNLPUQWJVPIC-CQSZACIVSA-N 2 2 353.382 2.293 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171643523 327150664 /nfs/dbraw/zinc/15/06/64/327150664.db2.gz FWGBSLISURQAQG-WBVHZDCISA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171643523 327150665 /nfs/dbraw/zinc/15/06/65/327150665.db2.gz FWGBSLISURQAQG-WBVHZDCISA-N 2 2 372.425 2.164 10 5 FEBELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647522 327151705 /nfs/dbraw/zinc/15/17/05/327151705.db2.gz UAAJSGAGVXXSAC-CQSZACIVSA-N 2 2 355.398 2.362 10 5 FEBELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000171647522 327151706 /nfs/dbraw/zinc/15/17/06/327151706.db2.gz UAAJSGAGVXXSAC-CQSZACIVSA-N 2 2 355.398 2.362 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935478 549245315 /nfs/dbraw/zinc/24/53/15/549245315.db2.gz AVIOAAAZELECLD-DLBZAZTESA-N 2 2 374.441 2.431 10 5 FEBELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000246935478 549245318 /nfs/dbraw/zinc/24/53/18/549245318.db2.gz AVIOAAAZELECLD-DLBZAZTESA-N 2 2 374.441 2.431 10 5 FEBELP CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177203985 546570173 /nfs/dbraw/zinc/57/01/73/546570173.db2.gz ABUFGFVNKSKCOU-ZFWWWQNUSA-N 2 2 357.414 2.239 10 5 FEBELP CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177203985 546570178 /nfs/dbraw/zinc/57/01/78/546570178.db2.gz ABUFGFVNKSKCOU-ZFWWWQNUSA-N 2 2 357.414 2.239 10 5 FEBELP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000153151523 326725257 /nfs/dbraw/zinc/72/52/57/326725257.db2.gz IGAZICGDNFNGAP-GDBMZVCRSA-N 2 2 351.447 2.491 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373003 549424000 /nfs/dbraw/zinc/42/40/00/549424000.db2.gz FKUCNAUIRRWRGC-HOTGVXAUSA-N 2 2 372.425 2.164 10 5 FEBELP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248373003 549424002 /nfs/dbraw/zinc/42/40/02/549424002.db2.gz FKUCNAUIRRWRGC-HOTGVXAUSA-N 2 2 372.425 2.164 10 5 FEBELP Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000108951643 325654503 /nfs/dbraw/zinc/65/45/03/325654503.db2.gz MCAXPYHCXDUDLZ-MRXNPFEDSA-N 2 2 357.414 2.127 10 5 FEBELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278940 548610829 /nfs/dbraw/zinc/61/08/29/548610829.db2.gz FSBHERBHLTVSTC-PXNSSMCTSA-N 2 2 370.453 2.477 10 5 FEBELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278940 548610833 /nfs/dbraw/zinc/61/08/33/548610833.db2.gz FSBHERBHLTVSTC-PXNSSMCTSA-N 2 2 370.453 2.477 10 5 FEBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278940 548610836 /nfs/dbraw/zinc/61/08/36/548610836.db2.gz FSBHERBHLTVSTC-PXNSSMCTSA-N 2 2 370.453 2.477 10 5 FEBELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195278940 548610840 /nfs/dbraw/zinc/61/08/40/548610840.db2.gz FSBHERBHLTVSTC-PXNSSMCTSA-N 2 2 370.453 2.477 10 5 FEBELP NC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000171644177 327150885 /nfs/dbraw/zinc/15/08/85/327150885.db2.gz YWYSVDNWNGDZIM-CYBMUJFWSA-N 2 2 355.398 2.023 10 5 FEBELP NC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000171644177 327150886 /nfs/dbraw/zinc/15/08/86/327150886.db2.gz YWYSVDNWNGDZIM-CYBMUJFWSA-N 2 2 355.398 2.023 10 5 FEBELP