smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020050136 168163729 /nfs/dbraw/zinc/16/37/29/168163729.db2.gz JBBVBXYJWQFTHR-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000020050138 168164370 /nfs/dbraw/zinc/16/43/70/168164370.db2.gz SFRUZHSTZJWIDB-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000020050141 168164061 /nfs/dbraw/zinc/16/40/61/168164061.db2.gz HARNCADWKSJRMX-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020052593 176080411 /nfs/dbraw/zinc/08/04/11/176080411.db2.gz BUPRXKXJAMEXEC-YPMHNXCESA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020052595 177083206 /nfs/dbraw/zinc/08/32/06/177083206.db2.gz BUPRXKXJAMEXEC-AAEUAGOBSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020052597 176088864 /nfs/dbraw/zinc/08/88/64/176088864.db2.gz BUPRXKXJAMEXEC-DGCLKSJQSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020052599 177088933 /nfs/dbraw/zinc/08/89/33/177088933.db2.gz BUPRXKXJAMEXEC-WCQYABFASA-N 1 0 248.326 3.263 20 5 BGBDRO CCC[C@@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083153 169399936 /nfs/dbraw/zinc/39/99/36/169399936.db2.gz DEMLLISTXFOXGE-CYBMUJFWSA-N 1 0 234.299 3.188 20 5 BGBDRO CCC[C@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083156 370235248 /nfs/dbraw/zinc/23/52/48/370235248.db2.gz DEMLLISTXFOXGE-ZDUSSCGKSA-N 1 0 234.299 3.188 20 5 BGBDRO CCC[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000020084348 169277677 /nfs/dbraw/zinc/27/76/77/169277677.db2.gz UKJJSFTXMKVRHF-ZDUSSCGKSA-N 1 0 236.315 3.436 20 5 BGBDRO CCC[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000020084351 169288908 /nfs/dbraw/zinc/28/89/08/169288908.db2.gz UKJJSFTXMKVRHF-CYBMUJFWSA-N 1 0 236.315 3.436 20 5 BGBDRO CCC[C@@H]([NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000020084622 398304247 /nfs/dbraw/zinc/30/42/47/398304247.db2.gz YYWSAXXUBWZBMF-GFCCVEGCSA-N 1 0 222.288 3.046 20 5 BGBDRO CCC[C@H]([NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000020084624 370235274 /nfs/dbraw/zinc/23/52/74/370235274.db2.gz YYWSAXXUBWZBMF-LBPRGKRZSA-N 1 0 222.288 3.046 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085706 538791686 /nfs/dbraw/zinc/79/16/86/538791686.db2.gz XIRVFAGKPDTBTJ-MNOVXSKESA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085708 171346473 /nfs/dbraw/zinc/34/64/73/171346473.db2.gz XIRVFAGKPDTBTJ-QWRGUYRKSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085710 170758468 /nfs/dbraw/zinc/75/84/68/170758468.db2.gz XIRVFAGKPDTBTJ-GHMZBOCLSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085712 171347695 /nfs/dbraw/zinc/34/76/95/171347695.db2.gz XIRVFAGKPDTBTJ-WDEREUQCSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085754 370234879 /nfs/dbraw/zinc/23/48/79/370234879.db2.gz PDNYXOIIVBKPJO-ZJUUUORDSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085756 171345778 /nfs/dbraw/zinc/34/57/78/171345778.db2.gz PDNYXOIIVBKPJO-UWVGGRQHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085758 370237394 /nfs/dbraw/zinc/23/73/94/370237394.db2.gz PDNYXOIIVBKPJO-NXEZZACHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085760 171348327 /nfs/dbraw/zinc/34/83/27/171348327.db2.gz PDNYXOIIVBKPJO-VHSXEESVSA-N 1 0 222.288 3.044 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000020085872 370236249 /nfs/dbraw/zinc/23/62/49/370236249.db2.gz JQVKMIJHDCXWDH-NSHDSACASA-N 1 0 236.315 3.210 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000020085874 370236244 /nfs/dbraw/zinc/23/62/44/370236244.db2.gz JQVKMIJHDCXWDH-LLVKDONJSA-N 1 0 236.315 3.210 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1[N+](=O)[O-] ZINC000020085975 178838380 /nfs/dbraw/zinc/83/83/80/178838380.db2.gz OPUKUPBEVKEFLT-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C2CCCC2)cc1[N+](=O)[O-] ZINC000020085977 398304012 /nfs/dbraw/zinc/30/40/12/398304012.db2.gz OPUKUPBEVKEFLT-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO C[C@@H]([NH2+]C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020086003 384573282 /nfs/dbraw/zinc/57/32/82/384573282.db2.gz WXWMYEKWFZYIRT-SNVBAGLBSA-N 1 0 234.299 3.188 20 5 BGBDRO C[C@H]([NH2+]C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020086005 398304593 /nfs/dbraw/zinc/30/45/93/398304593.db2.gz WXWMYEKWFZYIRT-JTQLQIEISA-N 1 0 234.299 3.188 20 5 BGBDRO CCC[C@@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020086314 169399652 /nfs/dbraw/zinc/39/96/52/169399652.db2.gz MOCJRIJSJVGPQH-CQSZACIVSA-N 1 0 248.326 3.436 20 5 BGBDRO CCC[C@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020086316 169509591 /nfs/dbraw/zinc/50/95/91/169509591.db2.gz MOCJRIJSJVGPQH-AWEZNQCLSA-N 1 0 248.326 3.436 20 5 BGBDRO CCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020086791 259387590 /nfs/dbraw/zinc/38/75/90/259387590.db2.gz KXJRHICDZFQBJA-NSHDSACASA-N 1 0 236.315 3.436 20 5 BGBDRO CCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020086792 259387721 /nfs/dbraw/zinc/38/77/21/259387721.db2.gz KXJRHICDZFQBJA-LLVKDONJSA-N 1 0 236.315 3.436 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087136 169370487 /nfs/dbraw/zinc/37/04/87/169370487.db2.gz FTWVQWFHDQVUOL-MNOVXSKESA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087138 169493955 /nfs/dbraw/zinc/49/39/55/169493955.db2.gz FTWVQWFHDQVUOL-QWRGUYRKSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087140 169371167 /nfs/dbraw/zinc/37/11/67/169371167.db2.gz FTWVQWFHDQVUOL-GHMZBOCLSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087142 398304047 /nfs/dbraw/zinc/30/40/47/398304047.db2.gz FTWVQWFHDQVUOL-WDEREUQCSA-N 1 0 236.315 3.434 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020088099 168874498 /nfs/dbraw/zinc/87/44/98/168874498.db2.gz QWUAXRWBRWYDCW-NSHDSACASA-N 1 0 236.315 3.354 20 5 BGBDRO CCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020088101 388716262 /nfs/dbraw/zinc/71/62/62/388716262.db2.gz QWUAXRWBRWYDCW-LLVKDONJSA-N 1 0 236.315 3.354 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020088127 168873842 /nfs/dbraw/zinc/87/38/42/168873842.db2.gz QPVFVDKXQTVZAR-JTQLQIEISA-N 1 0 222.288 3.046 20 5 BGBDRO CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020088129 168876620 /nfs/dbraw/zinc/87/66/20/168876620.db2.gz QPVFVDKXQTVZAR-SNVBAGLBSA-N 1 0 222.288 3.046 20 5 BGBDRO CC(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020088745 590073139 /nfs/dbraw/zinc/07/31/39/590073139.db2.gz XGBKKRIYXDQBEV-NSHDSACASA-N 1 0 236.315 3.292 20 5 BGBDRO CC(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020088747 166866538 /nfs/dbraw/zinc/86/65/38/166866538.db2.gz XGBKKRIYXDQBEV-LLVKDONJSA-N 1 0 236.315 3.292 20 5 BGBDRO CCC(CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020133058 168391348 /nfs/dbraw/zinc/39/13/48/168391348.db2.gz WNEJMPIJUMWFII-JTQLQIEISA-N 1 0 236.315 3.434 20 5 BGBDRO CCC(CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020133061 168392833 /nfs/dbraw/zinc/39/28/33/168392833.db2.gz WNEJMPIJUMWFII-SNVBAGLBSA-N 1 0 236.315 3.434 20 5 BGBDRO CCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020143680 590078599 /nfs/dbraw/zinc/07/85/99/590078599.db2.gz QICLEUQOZVJEBA-UHFFFAOYSA-N 1 0 236.315 3.265 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020358774 167384749 /nfs/dbraw/zinc/38/47/49/167384749.db2.gz VUQGJJGTSMODPP-MNOVXSKESA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020358775 371271377 /nfs/dbraw/zinc/27/13/77/371271377.db2.gz VUQGJJGTSMODPP-QWRGUYRKSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020358776 167386305 /nfs/dbraw/zinc/38/63/05/167386305.db2.gz VUQGJJGTSMODPP-GHMZBOCLSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020358778 191949365 /nfs/dbraw/zinc/94/93/65/191949365.db2.gz VUQGJJGTSMODPP-WDEREUQCSA-N 1 0 236.315 3.290 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525910 344450188 /nfs/dbraw/zinc/45/01/88/344450188.db2.gz FLHUDAORVONVGP-ZJUUUORDSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525911 171346365 /nfs/dbraw/zinc/34/63/65/171346365.db2.gz FLHUDAORVONVGP-UWVGGRQHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525912 371288635 /nfs/dbraw/zinc/28/86/35/371288635.db2.gz FLHUDAORVONVGP-NXEZZACHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525913 171347983 /nfs/dbraw/zinc/34/79/83/171347983.db2.gz FLHUDAORVONVGP-VHSXEESVSA-N 1 0 222.288 3.044 20 5 BGBDRO C[C@@H]([NH2+]C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020525916 388773990 /nfs/dbraw/zinc/77/39/90/388773990.db2.gz ZQQBXJVKGPLQAY-SNVBAGLBSA-N 1 0 234.299 3.188 20 5 BGBDRO C[C@H]([NH2+]C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020525917 388775103 /nfs/dbraw/zinc/77/51/03/388775103.db2.gz ZQQBXJVKGPLQAY-JTQLQIEISA-N 1 0 234.299 3.188 20 5 BGBDRO CCC(CC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525918 168390972 /nfs/dbraw/zinc/39/09/72/168390972.db2.gz NSEXKOXYBGMLNG-JTQLQIEISA-N 1 0 236.315 3.434 20 5 BGBDRO CCC(CC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525919 168392544 /nfs/dbraw/zinc/39/25/44/168392544.db2.gz NSEXKOXYBGMLNG-SNVBAGLBSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525944 169370637 /nfs/dbraw/zinc/37/06/37/169370637.db2.gz RULASKVODXJQLW-MNOVXSKESA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525945 388775111 /nfs/dbraw/zinc/77/51/11/388775111.db2.gz RULASKVODXJQLW-QWRGUYRKSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525946 169371280 /nfs/dbraw/zinc/37/12/80/169371280.db2.gz RULASKVODXJQLW-GHMZBOCLSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525947 388773889 /nfs/dbraw/zinc/77/38/89/388773889.db2.gz RULASKVODXJQLW-WDEREUQCSA-N 1 0 236.315 3.434 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525974 388774806 /nfs/dbraw/zinc/77/48/06/388774806.db2.gz ILMYEPINPDNJPI-JTQLQIEISA-N 1 0 222.288 3.046 20 5 BGBDRO CCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525975 388774220 /nfs/dbraw/zinc/77/42/20/388774220.db2.gz ILMYEPINPDNJPI-SNVBAGLBSA-N 1 0 222.288 3.046 20 5 BGBDRO CC(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525998 388773952 /nfs/dbraw/zinc/77/39/52/388773952.db2.gz SJIDNBWHUYOAHX-NSHDSACASA-N 1 0 236.315 3.292 20 5 BGBDRO CC(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525999 388774458 /nfs/dbraw/zinc/77/44/58/388774458.db2.gz SJIDNBWHUYOAHX-LLVKDONJSA-N 1 0 236.315 3.292 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526326 167383459 /nfs/dbraw/zinc/38/34/59/167383459.db2.gz UAGFCXNREYUFED-MNOVXSKESA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526327 188108807 /nfs/dbraw/zinc/10/88/07/188108807.db2.gz UAGFCXNREYUFED-QWRGUYRKSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526328 167386399 /nfs/dbraw/zinc/38/63/99/167386399.db2.gz UAGFCXNREYUFED-GHMZBOCLSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526329 371288117 /nfs/dbraw/zinc/28/81/17/371288117.db2.gz UAGFCXNREYUFED-WDEREUQCSA-N 1 0 236.315 3.290 20 5 BGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])cc1 ZINC000034753175 323203738 /nfs/dbraw/zinc/20/37/38/323203738.db2.gz YLLDBNOPEDGHFJ-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959141 397958252 /nfs/dbraw/zinc/95/82/52/397958252.db2.gz ZLUJDTVAHJADKV-MFKMUULPSA-N 1 0 236.315 3.434 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959142 171346035 /nfs/dbraw/zinc/34/60/35/171346035.db2.gz ZLUJDTVAHJADKV-GWCFXTLKSA-N 1 0 236.315 3.434 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959143 397957964 /nfs/dbraw/zinc/95/79/64/397957964.db2.gz ZLUJDTVAHJADKV-ZWNOBZJWSA-N 1 0 236.315 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000034959144 171348162 /nfs/dbraw/zinc/34/81/62/171348162.db2.gz ZLUJDTVAHJADKV-GXFFZTMASA-N 1 0 236.315 3.434 20 5 BGBDRO CCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959147 397958094 /nfs/dbraw/zinc/95/80/94/397958094.db2.gz IPVKKUIJLNWLKH-ZDUSSCGKSA-N 1 0 236.315 3.436 20 5 BGBDRO CCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000034959148 168877003 /nfs/dbraw/zinc/87/70/03/168877003.db2.gz IPVKKUIJLNWLKH-CYBMUJFWSA-N 1 0 236.315 3.436 20 5 BGBDRO CCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994273 351378099 /nfs/dbraw/zinc/37/80/99/351378099.db2.gz TXHVFJXKSAWXOK-UHFFFAOYSA-N 1 0 236.315 3.183 20 5 BGBDRO Cc1ccc(C[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000034994504 636354989 /nfs/dbraw/zinc/35/49/89/636354989.db2.gz TVCRWINWVKEOQO-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO Cc1ccc(C[NH2+]CCC(C)C)cc1[N+](=O)[O-] ZINC000034994726 636355098 /nfs/dbraw/zinc/35/50/98/636355098.db2.gz NVMMGEHYEPFMCG-UHFFFAOYSA-N 1 0 236.315 3.039 20 5 BGBDRO CCC(CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995093 168389226 /nfs/dbraw/zinc/38/92/26/168389226.db2.gz QXWXWYFKTZLYDY-UHFFFAOYSA-N 1 0 236.315 3.181 20 5 BGBDRO CCC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995456 169370752 /nfs/dbraw/zinc/37/07/52/169370752.db2.gz ONOAAXSHCMLMLF-LLVKDONJSA-N 1 0 236.315 3.181 20 5 BGBDRO CCC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995457 385691977 /nfs/dbraw/zinc/69/19/77/385691977.db2.gz ONOAAXSHCMLMLF-NSHDSACASA-N 1 0 236.315 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000034995933 351376648 /nfs/dbraw/zinc/37/66/48/351376648.db2.gz VNTBERSRQHRSLW-NSHDSACASA-N 1 0 236.315 3.037 20 5 BGBDRO Cc1ccc(C[NH2+][C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000034995934 351376491 /nfs/dbraw/zinc/37/64/91/351376491.db2.gz VNTBERSRQHRSLW-LLVKDONJSA-N 1 0 236.315 3.037 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035140278 176888182 /nfs/dbraw/zinc/88/81/82/176888182.db2.gz IQAJCCAYYBPZKV-UWVGGRQHSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035140280 355852083 /nfs/dbraw/zinc/85/20/83/355852083.db2.gz IQAJCCAYYBPZKV-VHSXEESVSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000035140282 355852073 /nfs/dbraw/zinc/85/20/73/355852073.db2.gz IQAJCCAYYBPZKV-ZJUUUORDSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035140284 355852129 /nfs/dbraw/zinc/85/21/29/355852129.db2.gz IQAJCCAYYBPZKV-NXEZZACHSA-N 1 0 234.299 3.044 20 5 BGBDRO Cc1ccc(C[NH2+]CC2CCCC2)cc1[N+](=O)[O-] ZINC000035253184 356444201 /nfs/dbraw/zinc/44/42/01/356444201.db2.gz MSXNMUVHJRSEGR-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368057 187258206 /nfs/dbraw/zinc/25/82/06/187258206.db2.gz PXSUWEXIYKHKGW-MRVPVSSYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368058 171343255 /nfs/dbraw/zinc/34/32/55/171343255.db2.gz PXSUWEXIYKHKGW-QMMMGPOBSA-N 1 0 242.706 3.136 20 5 BGBDRO CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368089 646368754 /nfs/dbraw/zinc/36/87/54/646368754.db2.gz NHZAIHNWJZZUER-UHFFFAOYSA-N 1 0 242.706 3.138 20 5 BGBDRO Cc1c(C[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000035648600 358015571 /nfs/dbraw/zinc/01/55/71/358015571.db2.gz UVUQLLILYDLONR-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO CCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648604 168299682 /nfs/dbraw/zinc/29/96/82/168299682.db2.gz RUECEPDMJSOZFG-UHFFFAOYSA-N 1 0 236.315 3.181 20 5 BGBDRO CCC(CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648616 168390224 /nfs/dbraw/zinc/39/02/24/168390224.db2.gz PNEIMJYQYVRVQU-UHFFFAOYSA-N 1 0 236.315 3.181 20 5 BGBDRO CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648636 633857174 /nfs/dbraw/zinc/85/71/74/633857174.db2.gz UEHRARROOFHIAF-UHFFFAOYSA-N 1 0 236.315 3.183 20 5 BGBDRO CCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648644 169370387 /nfs/dbraw/zinc/37/03/87/169370387.db2.gz ZWKWMMBDGCFSBG-SNVBAGLBSA-N 1 0 236.315 3.181 20 5 BGBDRO CCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648646 387381725 /nfs/dbraw/zinc/38/17/25/387381725.db2.gz ZWKWMMBDGCFSBG-JTQLQIEISA-N 1 0 236.315 3.181 20 5 BGBDRO Cc1c(C[NH2+]CCC(C)C)cccc1[N+](=O)[O-] ZINC000035648694 639796077 /nfs/dbraw/zinc/79/60/77/639796077.db2.gz NMBFSONRKZXYKO-UHFFFAOYSA-N 1 0 236.315 3.039 20 5 BGBDRO Cc1c(C[NH2+][C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000035648873 177593011 /nfs/dbraw/zinc/59/30/11/177593011.db2.gz GHHFRAKBVWUMQA-NSHDSACASA-N 1 0 236.315 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000035648875 358015950 /nfs/dbraw/zinc/01/59/50/358015950.db2.gz GHHFRAKBVWUMQA-LLVKDONJSA-N 1 0 236.315 3.037 20 5 BGBDRO Cc1c(C[NH2+]CC2CCCC2)cccc1[N+](=O)[O-] ZINC000035648906 639794908 /nfs/dbraw/zinc/79/49/08/639794908.db2.gz NIUZZFMMJKBOMV-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000035732779 383872391 /nfs/dbraw/zinc/87/23/91/383872391.db2.gz PMWHKPIHLOEPHV-UWVGGRQHSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000035732780 343302796 /nfs/dbraw/zinc/30/27/96/343302796.db2.gz PMWHKPIHLOEPHV-VHSXEESVSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000035732781 358777578 /nfs/dbraw/zinc/77/75/78/358777578.db2.gz PMWHKPIHLOEPHV-ZJUUUORDSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000035732782 358777248 /nfs/dbraw/zinc/77/72/48/358777248.db2.gz PMWHKPIHLOEPHV-NXEZZACHSA-N 1 0 234.299 3.044 20 5 BGBDRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035732811 358777252 /nfs/dbraw/zinc/77/72/52/358777252.db2.gz INMTVPDSHOVHBG-HZMBPMFUSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035732812 170907502 /nfs/dbraw/zinc/90/75/02/170907502.db2.gz INMTVPDSHOVHBG-IINYFYTJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035732813 358777414 /nfs/dbraw/zinc/77/74/14/358777414.db2.gz INMTVPDSHOVHBG-YGRLFVJLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000035732814 358776996 /nfs/dbraw/zinc/77/69/96/358776996.db2.gz INMTVPDSHOVHBG-QMTHXVAHSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035732903 387807286 /nfs/dbraw/zinc/80/72/86/387807286.db2.gz UKDSVTDYKWXYSL-WDEREUQCSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035732904 178895042 /nfs/dbraw/zinc/89/50/42/178895042.db2.gz UKDSVTDYKWXYSL-QWRGUYRKSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035732905 387806147 /nfs/dbraw/zinc/80/61/47/387806147.db2.gz UKDSVTDYKWXYSL-GHMZBOCLSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000035732906 387807922 /nfs/dbraw/zinc/80/79/22/387807922.db2.gz UKDSVTDYKWXYSL-MNOVXSKESA-N 1 0 248.326 3.352 20 5 BGBDRO CCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000035803852 639969678 /nfs/dbraw/zinc/96/96/78/639969678.db2.gz JJPDKDUSGMEBIC-UHFFFAOYSA-N 1 0 242.706 3.138 20 5 BGBDRO CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721048 169278276 /nfs/dbraw/zinc/27/82/76/169278276.db2.gz PBFORQWQFKYQID-LBPRGKRZSA-N 1 0 222.288 3.046 20 5 BGBDRO CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721049 169288816 /nfs/dbraw/zinc/28/88/16/169288816.db2.gz PBFORQWQFKYQID-GFCCVEGCSA-N 1 0 222.288 3.046 20 5 BGBDRO CC[C@H]([NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036721060 171513564 /nfs/dbraw/zinc/51/35/64/171513564.db2.gz WPGMTXYFGZJXFN-LBPRGKRZSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@@H]([NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036721061 170887515 /nfs/dbraw/zinc/88/75/15/170887515.db2.gz WPGMTXYFGZJXFN-GFCCVEGCSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H]([NH2+]CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036721064 712481511 /nfs/dbraw/zinc/48/15/11/712481511.db2.gz FRJRIRZVFICQQZ-ZDUSSCGKSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H]([NH2+]CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036721065 712481737 /nfs/dbraw/zinc/48/17/37/712481737.db2.gz FRJRIRZVFICQQZ-CYBMUJFWSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721070 361388537 /nfs/dbraw/zinc/38/85/37/361388537.db2.gz QVVABWFEEBLRSP-ZDUSSCGKSA-N 1 0 234.299 3.046 20 5 BGBDRO CC[C@@H]([NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000036721071 388257765 /nfs/dbraw/zinc/25/77/65/388257765.db2.gz QVVABWFEEBLRSP-CYBMUJFWSA-N 1 0 234.299 3.046 20 5 BGBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037098374 169081701 /nfs/dbraw/zinc/08/17/01/169081701.db2.gz OMEOTUXQYDDXJB-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037098375 169081858 /nfs/dbraw/zinc/08/18/58/169081858.db2.gz IONULHLBZCESMH-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176768 361720343 /nfs/dbraw/zinc/72/03/43/361720343.db2.gz DMROSDTXCATDDJ-ZJUUUORDSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176769 171346188 /nfs/dbraw/zinc/34/61/88/171346188.db2.gz DMROSDTXCATDDJ-UWVGGRQHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176771 361720598 /nfs/dbraw/zinc/72/05/98/361720598.db2.gz DMROSDTXCATDDJ-NXEZZACHSA-N 1 0 222.288 3.044 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176772 171348090 /nfs/dbraw/zinc/34/80/90/171348090.db2.gz DMROSDTXCATDDJ-VHSXEESVSA-N 1 0 222.288 3.044 20 5 BGBDRO C[C@H]([NH2+]C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176778 388191380 /nfs/dbraw/zinc/19/13/80/388191380.db2.gz SHFIRNIZHSGRTP-JTQLQIEISA-N 1 0 234.299 3.188 20 5 BGBDRO C[C@@H]([NH2+]C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176780 175860661 /nfs/dbraw/zinc/86/06/61/175860661.db2.gz SHFIRNIZHSGRTP-SNVBAGLBSA-N 1 0 234.299 3.188 20 5 BGBDRO CCC(CC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176782 168390687 /nfs/dbraw/zinc/39/06/87/168390687.db2.gz UYPAVAGCWUCURF-JTQLQIEISA-N 1 0 236.315 3.434 20 5 BGBDRO CCC(CC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176784 168392538 /nfs/dbraw/zinc/39/25/38/168392538.db2.gz UYPAVAGCWUCURF-SNVBAGLBSA-N 1 0 236.315 3.434 20 5 BGBDRO CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176821 324394440 /nfs/dbraw/zinc/39/44/40/324394440.db2.gz OKJQPJIXZLZLSI-NSHDSACASA-N 1 0 236.315 3.436 20 5 BGBDRO CCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176823 324394743 /nfs/dbraw/zinc/39/47/43/324394743.db2.gz OKJQPJIXZLZLSI-LLVKDONJSA-N 1 0 236.315 3.436 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176835 169370204 /nfs/dbraw/zinc/37/02/04/169370204.db2.gz FKVUXBWUUFHDEN-MNOVXSKESA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176836 388191480 /nfs/dbraw/zinc/19/14/80/388191480.db2.gz FKVUXBWUUFHDEN-QWRGUYRKSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176838 169371532 /nfs/dbraw/zinc/37/15/32/169371532.db2.gz FKVUXBWUUFHDEN-GHMZBOCLSA-N 1 0 236.315 3.434 20 5 BGBDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176840 388197610 /nfs/dbraw/zinc/19/76/10/388197610.db2.gz FKVUXBWUUFHDEN-WDEREUQCSA-N 1 0 236.315 3.434 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176880 388191305 /nfs/dbraw/zinc/19/13/05/388191305.db2.gz BBYIZHZIECLKPY-JTQLQIEISA-N 1 0 222.288 3.046 20 5 BGBDRO CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176881 388191316 /nfs/dbraw/zinc/19/13/16/388191316.db2.gz BBYIZHZIECLKPY-SNVBAGLBSA-N 1 0 222.288 3.046 20 5 BGBDRO CC(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176903 324394375 /nfs/dbraw/zinc/39/43/75/324394375.db2.gz DTFWNHVUMOKFRI-NSHDSACASA-N 1 0 236.315 3.292 20 5 BGBDRO CC(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176904 324394459 /nfs/dbraw/zinc/39/44/59/324394459.db2.gz DTFWNHVUMOKFRI-LLVKDONJSA-N 1 0 236.315 3.292 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177215 167383641 /nfs/dbraw/zinc/38/36/41/167383641.db2.gz BXLUVYVGJRCNAA-MNOVXSKESA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177216 388192389 /nfs/dbraw/zinc/19/23/89/388192389.db2.gz BXLUVYVGJRCNAA-QWRGUYRKSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177217 167385387 /nfs/dbraw/zinc/38/53/87/167385387.db2.gz BXLUVYVGJRCNAA-GHMZBOCLSA-N 1 0 236.315 3.290 20 5 BGBDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177218 187939890 /nfs/dbraw/zinc/93/98/90/187939890.db2.gz BXLUVYVGJRCNAA-WDEREUQCSA-N 1 0 236.315 3.290 20 5 BGBDRO C[C@H]([NH2+]CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037179246 388192359 /nfs/dbraw/zinc/19/23/59/388192359.db2.gz OHGNNIDFQPPUPQ-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037179248 175869827 /nfs/dbraw/zinc/86/98/27/175869827.db2.gz OHGNNIDFQPPUPQ-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO CC[C@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000037179337 361721720 /nfs/dbraw/zinc/72/17/20/361721720.db2.gz CRILXOJCGBCTFS-AWEZNQCLSA-N 1 0 248.326 3.436 20 5 BGBDRO CC[C@@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000037179339 388192344 /nfs/dbraw/zinc/19/23/44/388192344.db2.gz CRILXOJCGBCTFS-CQSZACIVSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000037179347 388192012 /nfs/dbraw/zinc/19/20/12/388192012.db2.gz LUIMXMPDBMXNPP-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000037179349 388192256 /nfs/dbraw/zinc/19/22/56/388192256.db2.gz LUIMXMPDBMXNPP-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000037179418 176838699 /nfs/dbraw/zinc/83/86/99/176838699.db2.gz BKGNJGPKGADPMQ-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000037179420 388192239 /nfs/dbraw/zinc/19/22/39/388192239.db2.gz BKGNJGPKGADPMQ-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000037179458 361721635 /nfs/dbraw/zinc/72/16/35/361721635.db2.gz LWDZZXYYDKQUJZ-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000037179460 388192188 /nfs/dbraw/zinc/19/21/88/388192188.db2.gz LWDZZXYYDKQUJZ-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO CCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000037186198 168299832 /nfs/dbraw/zinc/29/98/32/168299832.db2.gz ATTQXUNMPFXWPA-UHFFFAOYSA-N 1 0 236.315 3.181 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000037248305 361777208 /nfs/dbraw/zinc/77/72/08/361777208.db2.gz FNWMIBCHSKHTDO-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000037248307 711815324 /nfs/dbraw/zinc/81/53/24/711815324.db2.gz MHJREPCUHWKQGE-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCCCC1 ZINC000037248309 712558332 /nfs/dbraw/zinc/55/83/32/712558332.db2.gz BQKSGDQYBRDPRA-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037252868 176144203 /nfs/dbraw/zinc/14/42/03/176144203.db2.gz MIBYPNVRNRTIOK-YPMHNXCESA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037252870 177137074 /nfs/dbraw/zinc/13/70/74/177137074.db2.gz MIBYPNVRNRTIOK-AAEUAGOBSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037252872 176123181 /nfs/dbraw/zinc/12/31/81/176123181.db2.gz MIBYPNVRNRTIOK-DGCLKSJQSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000037252874 177123250 /nfs/dbraw/zinc/12/32/50/177123250.db2.gz MIBYPNVRNRTIOK-WCQYABFASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037252876 176144117 /nfs/dbraw/zinc/14/41/17/176144117.db2.gz KGDNGRMHMYAMFU-YPMHNXCESA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037252878 177136796 /nfs/dbraw/zinc/13/67/96/177136796.db2.gz KGDNGRMHMYAMFU-AAEUAGOBSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037252880 176123136 /nfs/dbraw/zinc/12/31/36/176123136.db2.gz KGDNGRMHMYAMFU-DGCLKSJQSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000037252882 177123157 /nfs/dbraw/zinc/12/31/57/177123157.db2.gz KGDNGRMHMYAMFU-WCQYABFASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037253870 176144174 /nfs/dbraw/zinc/14/41/74/176144174.db2.gz RNSAUYYUWNMCGZ-YPMHNXCESA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037253872 177137296 /nfs/dbraw/zinc/13/72/96/177137296.db2.gz RNSAUYYUWNMCGZ-AAEUAGOBSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037253874 176123718 /nfs/dbraw/zinc/12/37/18/176123718.db2.gz RNSAUYYUWNMCGZ-DGCLKSJQSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000037253876 177123038 /nfs/dbraw/zinc/12/30/38/177123038.db2.gz RNSAUYYUWNMCGZ-WCQYABFASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]([NH2+]CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037257451 324495365 /nfs/dbraw/zinc/49/53/65/324495365.db2.gz DCXZIQGJKGPKMO-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037257453 323204408 /nfs/dbraw/zinc/20/44/08/323204408.db2.gz DCXZIQGJKGPKMO-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037257550 388242390 /nfs/dbraw/zinc/24/23/90/388242390.db2.gz BAJUQACYXFBQRW-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037257552 388242482 /nfs/dbraw/zinc/24/24/82/388242482.db2.gz BAJUQACYXFBQRW-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO CC(C)C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037260772 388243546 /nfs/dbraw/zinc/24/35/46/388243546.db2.gz IGDPXHSVGKORJW-LLVKDONJSA-N 1 0 236.315 3.119 20 5 BGBDRO CC(C)C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037260774 361792396 /nfs/dbraw/zinc/79/23/96/361792396.db2.gz IGDPXHSVGKORJW-NSHDSACASA-N 1 0 236.315 3.119 20 5 BGBDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037260776 191069341 /nfs/dbraw/zinc/06/93/41/191069341.db2.gz LIIIDXBTQHZMRY-LLVKDONJSA-N 1 0 236.315 3.119 20 5 BGBDRO CC(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037260777 188151720 /nfs/dbraw/zinc/15/17/20/188151720.db2.gz LIIIDXBTQHZMRY-NSHDSACASA-N 1 0 236.315 3.119 20 5 BGBDRO CC(C)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037260779 188151862 /nfs/dbraw/zinc/15/18/62/188151862.db2.gz FQQQVUUECCVRGT-LLVKDONJSA-N 1 0 236.315 3.119 20 5 BGBDRO CC(C)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037260781 191069208 /nfs/dbraw/zinc/06/92/08/191069208.db2.gz FQQQVUUECCVRGT-NSHDSACASA-N 1 0 236.315 3.119 20 5 BGBDRO CCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472331 712642675 /nfs/dbraw/zinc/64/26/75/712642675.db2.gz ZZMPHMXRWUMNMD-UHFFFAOYSA-N 1 0 242.344 3.326 20 5 BGBDRO CC(C)C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472354 364053795 /nfs/dbraw/zinc/05/37/95/364053795.db2.gz ZSAIOAQZCIXARX-SECBINFHSA-N 1 0 242.344 3.181 20 5 BGBDRO CC(C)C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472355 188113993 /nfs/dbraw/zinc/11/39/93/188113993.db2.gz ZSAIOAQZCIXARX-VIFPVBQESA-N 1 0 242.344 3.181 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CCCC2)c1 ZINC000037492976 182943537 /nfs/dbraw/zinc/94/35/37/182943537.db2.gz WEEFBUAWBGPCBA-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037502493 712656269 /nfs/dbraw/zinc/65/62/69/712656269.db2.gz DXRISIFEKCVEMC-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CCC(CC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668273 168361621 /nfs/dbraw/zinc/36/16/21/168361621.db2.gz BXOMNTDYEBJZIW-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668325 169359763 /nfs/dbraw/zinc/35/97/63/169359763.db2.gz DSTDCROLEXBILG-LLVKDONJSA-N 1 0 236.315 3.121 20 5 BGBDRO CCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668326 712735831 /nfs/dbraw/zinc/73/58/31/712735831.db2.gz DSTDCROLEXBILG-NSHDSACASA-N 1 0 236.315 3.121 20 5 BGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668330 712736187 /nfs/dbraw/zinc/73/61/87/712736187.db2.gz KOEISMDKJBPEKS-GHMZBOCLSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668331 171365337 /nfs/dbraw/zinc/36/53/37/171365337.db2.gz KOEISMDKJBPEKS-WDEREUQCSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668332 712736178 /nfs/dbraw/zinc/73/61/78/712736178.db2.gz KOEISMDKJBPEKS-MNOVXSKESA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668333 171389733 /nfs/dbraw/zinc/38/97/33/171389733.db2.gz KOEISMDKJBPEKS-QWRGUYRKSA-N 1 0 236.315 3.119 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000037668339 182930520 /nfs/dbraw/zinc/93/05/20/182930520.db2.gz BECKAQXQYJUBQY-LBPRGKRZSA-N 1 0 246.310 3.041 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000037668340 712735783 /nfs/dbraw/zinc/73/57/83/712735783.db2.gz BECKAQXQYJUBQY-GFCCVEGCSA-N 1 0 246.310 3.041 20 5 BGBDRO CCCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668409 168948908 /nfs/dbraw/zinc/94/89/08/168948908.db2.gz ASPYDBUXHJYLOK-LLVKDONJSA-N 1 0 236.315 3.263 20 5 BGBDRO CCCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668410 712736180 /nfs/dbraw/zinc/73/61/80/712736180.db2.gz ASPYDBUXHJYLOK-NSHDSACASA-N 1 0 236.315 3.263 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037668411 712735640 /nfs/dbraw/zinc/73/56/40/712735640.db2.gz JSWPEZFAWHMXLZ-ZDUSSCGKSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037668412 712735789 /nfs/dbraw/zinc/73/57/89/712735789.db2.gz JSWPEZFAWHMXLZ-CYBMUJFWSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775653 364699977 /nfs/dbraw/zinc/69/99/77/364699977.db2.gz GYARUIDSJGZLRD-MNOVXSKESA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775654 171286111 /nfs/dbraw/zinc/28/61/11/171286111.db2.gz GYARUIDSJGZLRD-QWRGUYRKSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775655 364699998 /nfs/dbraw/zinc/69/99/98/364699998.db2.gz GYARUIDSJGZLRD-GHMZBOCLSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775656 171286891 /nfs/dbraw/zinc/28/68/91/171286891.db2.gz GYARUIDSJGZLRD-WDEREUQCSA-N 1 0 236.315 3.292 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037775670 712756683 /nfs/dbraw/zinc/75/66/83/712756683.db2.gz OYTAVZPPBUVAAO-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037775671 712756453 /nfs/dbraw/zinc/75/64/53/712756453.db2.gz OYTAVZPPBUVAAO-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000037775672 712756576 /nfs/dbraw/zinc/75/65/76/712756576.db2.gz OYTAVZPPBUVAAO-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037775673 712756508 /nfs/dbraw/zinc/75/65/08/712756508.db2.gz OYTAVZPPBUVAAO-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037985058 712794714 /nfs/dbraw/zinc/79/47/14/712794714.db2.gz JFDJQVXJXVGDGW-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CC(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037985059 166816092 /nfs/dbraw/zinc/81/60/92/166816092.db2.gz FTDWCVKLDWIGSO-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CCCC1 ZINC000037996254 711801549 /nfs/dbraw/zinc/80/15/49/711801549.db2.gz XSCXJTLTOOOXGG-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000038093487 712807528 /nfs/dbraw/zinc/80/75/28/712807528.db2.gz VOBIFWGUSNBFHX-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CC(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000038093738 712807537 /nfs/dbraw/zinc/80/75/37/712807537.db2.gz MJBYPCPJOBGADU-UHFFFAOYSA-N 1 0 242.344 3.182 20 5 BGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCCCCC2)cc1 ZINC000039122213 368273087 /nfs/dbraw/zinc/27/30/87/368273087.db2.gz WWENTWYGSDQZKD-UHFFFAOYSA-N 1 0 248.326 3.013 20 5 BGBDRO CCC[NH+](CCC)Cc1cccc([N+](=O)[O-])c1 ZINC000039374339 360315297 /nfs/dbraw/zinc/31/52/97/360315297.db2.gz KSZZWMHSILVDSS-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO C[C@H]([NH2+]CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040492751 322832624 /nfs/dbraw/zinc/83/26/24/322832624.db2.gz UOWJYLNLFUBXQK-JTQLQIEISA-N 1 0 236.315 3.292 20 5 BGBDRO C[C@@H]([NH2+]CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040492752 388417798 /nfs/dbraw/zinc/41/77/98/388417798.db2.gz UOWJYLNLFUBXQK-SNVBAGLBSA-N 1 0 236.315 3.292 20 5 BGBDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000040492804 176833302 /nfs/dbraw/zinc/83/33/02/176833302.db2.gz PGBSUDNGBUBDMP-JTQLQIEISA-N 1 0 236.315 3.292 20 5 BGBDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000040492805 388417727 /nfs/dbraw/zinc/41/77/27/388417727.db2.gz PGBSUDNGBUBDMP-SNVBAGLBSA-N 1 0 236.315 3.292 20 5 BGBDRO Cc1ccc(C[NH2+]CC(C)(C)C)cc1[N+](=O)[O-] ZINC000040492926 188042787 /nfs/dbraw/zinc/04/27/87/188042787.db2.gz QWUWEKHHFRXGOE-UHFFFAOYSA-N 1 0 236.315 3.039 20 5 BGBDRO Cc1c(C[NH2+]CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000040493422 384578609 /nfs/dbraw/zinc/57/86/09/384578609.db2.gz NHMAAYOBCIEKMN-UHFFFAOYSA-N 1 0 236.315 3.039 20 5 BGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000042147494 343430550 /nfs/dbraw/zinc/43/05/50/343430550.db2.gz CRJNBHNNJFHERE-LLVKDONJSA-N 1 0 236.315 3.215 20 5 BGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000042147495 343117322 /nfs/dbraw/zinc/11/73/22/343117322.db2.gz CRJNBHNNJFHERE-NSHDSACASA-N 1 0 236.315 3.215 20 5 BGBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000042176642 168064501 /nfs/dbraw/zinc/06/45/01/168064501.db2.gz ZNQGVIYTGIHOLV-UHFFFAOYSA-N 1 0 234.299 3.017 20 5 BGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000042176645 168064265 /nfs/dbraw/zinc/06/42/65/168064265.db2.gz RTYYUACFTGDFMV-UHFFFAOYSA-N 1 0 234.299 3.017 20 5 BGBDRO Cc1ccc(C[NH2+]C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000042176903 374252055 /nfs/dbraw/zinc/25/20/55/374252055.db2.gz QWTIWJDVPCCTEY-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000042177074 168064384 /nfs/dbraw/zinc/06/43/84/168064384.db2.gz CLOQDJANFINYPR-UHFFFAOYSA-N 1 0 240.328 3.079 20 5 BGBDRO CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000042186832 351993632 /nfs/dbraw/zinc/99/36/32/351993632.db2.gz GPPNWYDOZAMUPH-UHFFFAOYSA-N 1 0 248.326 3.060 20 5 BGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000042552895 170773857 /nfs/dbraw/zinc/77/38/57/170773857.db2.gz WFACXTBYYSMDAR-GHMZBOCLSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000042552898 171365797 /nfs/dbraw/zinc/36/57/97/171365797.db2.gz WFACXTBYYSMDAR-WDEREUQCSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000042552901 637282735 /nfs/dbraw/zinc/28/27/35/637282735.db2.gz WFACXTBYYSMDAR-MNOVXSKESA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000042552904 171389877 /nfs/dbraw/zinc/38/98/77/171389877.db2.gz WFACXTBYYSMDAR-QWRGUYRKSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000042554322 362007459 /nfs/dbraw/zinc/00/74/59/362007459.db2.gz PTUYRESFRMCOFG-RKDXNWHRSA-N 1 0 242.344 3.181 20 5 BGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000042554325 171365506 /nfs/dbraw/zinc/36/55/06/171365506.db2.gz PTUYRESFRMCOFG-DTWKUNHWSA-N 1 0 242.344 3.181 20 5 BGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000042554328 362007611 /nfs/dbraw/zinc/00/76/11/362007611.db2.gz PTUYRESFRMCOFG-BDAKNGLRSA-N 1 0 242.344 3.181 20 5 BGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000042554331 171389446 /nfs/dbraw/zinc/38/94/46/171389446.db2.gz PTUYRESFRMCOFG-IUCAKERBSA-N 1 0 242.344 3.181 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000044317987 345019975 /nfs/dbraw/zinc/01/99/75/345019975.db2.gz PPLSVWBXTGLNFN-LBPRGKRZSA-N 1 0 246.310 3.041 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000044317988 345019966 /nfs/dbraw/zinc/01/99/66/345019966.db2.gz PPLSVWBXTGLNFN-GFCCVEGCSA-N 1 0 246.310 3.041 20 5 BGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044386154 170773901 /nfs/dbraw/zinc/77/39/01/170773901.db2.gz FHGKNNQDCRFIHO-GHMZBOCLSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044386156 171365125 /nfs/dbraw/zinc/36/51/25/171365125.db2.gz FHGKNNQDCRFIHO-WDEREUQCSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044386158 640290104 /nfs/dbraw/zinc/29/01/04/640290104.db2.gz FHGKNNQDCRFIHO-MNOVXSKESA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044386160 171389812 /nfs/dbraw/zinc/38/98/12/171389812.db2.gz FHGKNNQDCRFIHO-QWRGUYRKSA-N 1 0 236.315 3.119 20 5 BGBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000045042526 322844087 /nfs/dbraw/zinc/84/40/87/322844087.db2.gz YEMCVVLTFYOCCD-UHFFFAOYSA-N 1 0 248.326 3.407 20 5 BGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000045042529 384664507 /nfs/dbraw/zinc/66/45/07/384664507.db2.gz HMLCUKADDPMZFM-UHFFFAOYSA-N 1 0 248.326 3.407 20 5 BGBDRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116342 358559745 /nfs/dbraw/zinc/55/97/45/358559745.db2.gz YWYWFRTUTXXCLL-QWHCGFSZSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116344 358559757 /nfs/dbraw/zinc/55/97/57/358559757.db2.gz YWYWFRTUTXXCLL-CHWSQXEVSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116346 358559836 /nfs/dbraw/zinc/55/98/36/358559836.db2.gz YWYWFRTUTXXCLL-STQMWFEESA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116348 358559691 /nfs/dbraw/zinc/55/96/91/358559691.db2.gz YWYWFRTUTXXCLL-OLZOCXBDSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116582 176893082 /nfs/dbraw/zinc/89/30/82/176893082.db2.gz UEAODFFBAHLVLD-JOYOIKCWSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116585 343523755 /nfs/dbraw/zinc/52/37/55/343523755.db2.gz UEAODFFBAHLVLD-BXKDBHETSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116588 343523995 /nfs/dbraw/zinc/52/39/95/343523995.db2.gz UEAODFFBAHLVLD-CABZTGNLSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000045116590 343524054 /nfs/dbraw/zinc/52/40/54/343524054.db2.gz UEAODFFBAHLVLD-SKDRFNHKSA-N 1 0 234.299 3.044 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045116635 387706389 /nfs/dbraw/zinc/70/63/89/387706389.db2.gz BVBYUNFQURBJMH-ZWNOBZJWSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045116637 178897473 /nfs/dbraw/zinc/89/74/73/178897473.db2.gz BVBYUNFQURBJMH-GXFFZTMASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045116639 387706013 /nfs/dbraw/zinc/70/60/13/387706013.db2.gz BVBYUNFQURBJMH-MFKMUULPSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045116642 387706874 /nfs/dbraw/zinc/70/68/74/387706874.db2.gz BVBYUNFQURBJMH-GWCFXTLKSA-N 1 0 248.326 3.352 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000045116874 384375564 /nfs/dbraw/zinc/37/55/64/384375564.db2.gz FOEPFBGKMGNAKK-JOYOIKCWSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000045116876 343524039 /nfs/dbraw/zinc/52/40/39/343524039.db2.gz FOEPFBGKMGNAKK-BXKDBHETSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000045116878 343523698 /nfs/dbraw/zinc/52/36/98/343523698.db2.gz FOEPFBGKMGNAKK-CABZTGNLSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000045116880 343523912 /nfs/dbraw/zinc/52/39/12/343523912.db2.gz FOEPFBGKMGNAKK-SKDRFNHKSA-N 1 0 234.299 3.044 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045628966 640616056 /nfs/dbraw/zinc/61/60/56/640616056.db2.gz NJPJHMZDQPGJDW-LBPRGKRZSA-N 1 0 246.310 3.041 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045628967 640616634 /nfs/dbraw/zinc/61/66/34/640616634.db2.gz NJPJHMZDQPGJDW-GFCCVEGCSA-N 1 0 246.310 3.041 20 5 BGBDRO CC(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751440 353167333 /nfs/dbraw/zinc/16/73/33/353167333.db2.gz RIAUOFFAHVVUPK-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000045751449 398181934 /nfs/dbraw/zinc/18/19/34/398181934.db2.gz JJAKPHQWWFPBJU-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000045751500 353167540 /nfs/dbraw/zinc/16/75/40/353167540.db2.gz HGOWWIQCTBWHFC-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000046062947 388007209 /nfs/dbraw/zinc/00/72/09/388007209.db2.gz HVKAESRWNHYBQQ-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000046602721 388032780 /nfs/dbraw/zinc/03/27/80/388032780.db2.gz UGJRNIVGWJXULI-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602733 353799552 /nfs/dbraw/zinc/79/95/52/353799552.db2.gz AZJCZYOZIRUJGF-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000046773096 388046334 /nfs/dbraw/zinc/04/63/34/388046334.db2.gz HTQGMZNOCLTVPK-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO O=[N+]([O-])c1cc(C[NH+]2CCCCCC2)cs1 ZINC000047264461 368458454 /nfs/dbraw/zinc/45/84/54/368458454.db2.gz UPHHUOLHPPVOSL-UHFFFAOYSA-N 1 0 240.328 3.032 20 5 BGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000047611372 355775060 /nfs/dbraw/zinc/77/50/60/355775060.db2.gz YDNNXKHHZZWVJP-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000047701588 343443925 /nfs/dbraw/zinc/44/39/25/343443925.db2.gz UOTAIFARGFFSDK-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO Cc1c(C[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000047721353 397976550 /nfs/dbraw/zinc/97/65/50/397976550.db2.gz NIHZWVAANWFOFG-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CC(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000047888198 358604651 /nfs/dbraw/zinc/60/46/51/358604651.db2.gz PLEPXKRPSZXYLI-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000047965394 343676510 /nfs/dbraw/zinc/67/65/10/343676510.db2.gz CFUQAUUNLMIPQW-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000047966667 343677354 /nfs/dbraw/zinc/67/73/54/343677354.db2.gz BALWHDCFZVHXNN-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000047967565 343677595 /nfs/dbraw/zinc/67/75/95/343677595.db2.gz NEIPMGHBICUVBO-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000048054362 323114260 /nfs/dbraw/zinc/11/42/60/323114260.db2.gz GNASJXHDWVVUQW-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048058152 343706927 /nfs/dbraw/zinc/70/69/27/343706927.db2.gz KZDVPWMYASGWDW-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048058154 343707059 /nfs/dbraw/zinc/70/70/59/343707059.db2.gz KZDVPWMYASGWDW-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048058746 343707111 /nfs/dbraw/zinc/70/71/11/343707111.db2.gz OAEBMGURKXMNKA-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048058748 343706677 /nfs/dbraw/zinc/70/66/77/343706677.db2.gz OAEBMGURKXMNKA-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048070751 343708182 /nfs/dbraw/zinc/70/81/82/343708182.db2.gz HPDMHGKPRVFYNP-LLVKDONJSA-N 1 0 236.315 3.215 20 5 BGBDRO CCC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000048070752 343708086 /nfs/dbraw/zinc/70/80/86/343708086.db2.gz HPDMHGKPRVFYNP-NSHDSACASA-N 1 0 236.315 3.215 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000049127083 171531290 /nfs/dbraw/zinc/53/12/90/171531290.db2.gz JXFGZKWLQIEZBJ-LBPRGKRZSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000049127086 343593378 /nfs/dbraw/zinc/59/33/78/343593378.db2.gz JXFGZKWLQIEZBJ-GFCCVEGCSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963053 384582830 /nfs/dbraw/zinc/58/28/30/384582830.db2.gz KJTHOAPXXHGJKV-MRVPVSSYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963054 171343064 /nfs/dbraw/zinc/34/30/64/171343064.db2.gz KJTHOAPXXHGJKV-QMMMGPOBSA-N 1 0 242.706 3.136 20 5 BGBDRO CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963129 643570693 /nfs/dbraw/zinc/57/06/93/643570693.db2.gz TZDIXZFRZBZKIY-UHFFFAOYSA-N 1 0 242.706 3.138 20 5 BGBDRO CCCC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015595 631872676 /nfs/dbraw/zinc/87/26/76/631872676.db2.gz QCLIGXXXZGKCAF-LLVKDONJSA-N 1 0 236.315 3.263 20 5 BGBDRO CCCC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015596 643577163 /nfs/dbraw/zinc/57/71/63/643577163.db2.gz QCLIGXXXZGKCAF-NSHDSACASA-N 1 0 236.315 3.263 20 5 BGBDRO CC(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015706 643576881 /nfs/dbraw/zinc/57/68/81/643576881.db2.gz HQDPGFQXRHWLQI-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CCC[C@@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000050401076 384018447 /nfs/dbraw/zinc/01/84/47/384018447.db2.gz QVCWQQABBPHHPZ-GFCCVEGCSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC[C@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000050401078 384016136 /nfs/dbraw/zinc/01/61/36/384016136.db2.gz QVCWQQABBPHHPZ-LBPRGKRZSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050401080 169379207 /nfs/dbraw/zinc/37/92/07/169379207.db2.gz PSEVVCJUBFJABM-GFCCVEGCSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050401083 187869165 /nfs/dbraw/zinc/86/91/65/187869165.db2.gz PSEVVCJUBFJABM-LBPRGKRZSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC[C@@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050401085 169379218 /nfs/dbraw/zinc/37/92/18/169379218.db2.gz QOGZROKVQRPUSP-GFCCVEGCSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC[C@@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000050402507 169379196 /nfs/dbraw/zinc/37/91/96/169379196.db2.gz QTMFNAZNUQYIMY-SNVBAGLBSA-N 1 0 242.344 3.325 20 5 BGBDRO CCC[C@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000050402510 384625490 /nfs/dbraw/zinc/62/54/90/384625490.db2.gz QTMFNAZNUQYIMY-JTQLQIEISA-N 1 0 242.344 3.325 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443007 641148301 /nfs/dbraw/zinc/14/83/01/641148301.db2.gz QOXQQBYNEBMNQE-MRVPVSSYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443008 171342979 /nfs/dbraw/zinc/34/29/79/171342979.db2.gz QOXQQBYNEBMNQE-QMMMGPOBSA-N 1 0 242.706 3.136 20 5 BGBDRO Cc1c(C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000051092633 384762552 /nfs/dbraw/zinc/76/25/52/384762552.db2.gz GAOQLBYYTCSISX-UHFFFAOYSA-N 1 0 248.326 3.279 20 5 BGBDRO Cc1c(C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000051149549 350608407 /nfs/dbraw/zinc/60/84/07/350608407.db2.gz JTZYIKVMVJMRDA-NSHDSACASA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1c(C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051149551 350608149 /nfs/dbraw/zinc/60/81/49/350608149.db2.gz JTZYIKVMVJMRDA-LLVKDONJSA-N 1 0 248.326 3.135 20 5 BGBDRO CCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051179905 350613395 /nfs/dbraw/zinc/61/33/95/350613395.db2.gz YZOAGDZDOYTJKZ-UHFFFAOYSA-N 1 0 236.315 3.135 20 5 BGBDRO Cc1c(C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000051208825 350616308 /nfs/dbraw/zinc/61/63/08/350616308.db2.gz OIJADNDONWQZEP-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1c(C[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051227619 350616082 /nfs/dbraw/zinc/61/60/82/350616082.db2.gz AQWSHVYBKATIQJ-NSHDSACASA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1c(C[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000051227620 350616301 /nfs/dbraw/zinc/61/63/01/350616301.db2.gz AQWSHVYBKATIQJ-LLVKDONJSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[C@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000052207410 358776394 /nfs/dbraw/zinc/77/63/94/358776394.db2.gz NWQKBKNMGXZXMT-ZDUSSCGKSA-N 1 0 234.299 3.188 20 5 BGBDRO CC[C@@H]([NH2+]C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000052207413 411400042 /nfs/dbraw/zinc/40/00/42/411400042.db2.gz NWQKBKNMGXZXMT-CYBMUJFWSA-N 1 0 234.299 3.188 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000052207587 411399709 /nfs/dbraw/zinc/39/97/09/411399709.db2.gz OTDQSELWRDICGR-SNVBAGLBSA-N 1 0 234.299 3.106 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000052207590 411400100 /nfs/dbraw/zinc/40/01/00/411400100.db2.gz OTDQSELWRDICGR-JTQLQIEISA-N 1 0 234.299 3.106 20 5 BGBDRO CC(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052246093 385715043 /nfs/dbraw/zinc/71/50/43/385715043.db2.gz SHWJVWYYWJQPQM-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052279477 350942564 /nfs/dbraw/zinc/94/25/64/350942564.db2.gz BYFHKCXKAGRNJB-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052279838 358157153 /nfs/dbraw/zinc/15/71/53/358157153.db2.gz BXRNOODNNYGOCY-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052279840 350942148 /nfs/dbraw/zinc/94/21/48/350942148.db2.gz PVHYTKXWHYQIET-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000052877597 386224687 /nfs/dbraw/zinc/22/46/87/386224687.db2.gz PRDSNTOVCINKGX-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO CCCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000052877651 351076593 /nfs/dbraw/zinc/07/65/93/351076593.db2.gz RRTPQKIEZQNMAT-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO CCCC[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000052877713 323195686 /nfs/dbraw/zinc/19/56/86/323195686.db2.gz GDHXFWQZZARNTR-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO CCC(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926102 168362252 /nfs/dbraw/zinc/36/22/52/168362252.db2.gz UUHRNTYCYWDGIZ-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO CC(C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053906614 343653475 /nfs/dbraw/zinc/65/34/75/343653475.db2.gz LMDJDAPLSGHZHX-NSHDSACASA-N 1 0 236.315 3.244 20 5 BGBDRO CC(C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000053906615 343653263 /nfs/dbraw/zinc/65/32/63/343653263.db2.gz LMDJDAPLSGHZHX-LLVKDONJSA-N 1 0 236.315 3.244 20 5 BGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000054080468 322855739 /nfs/dbraw/zinc/85/57/39/322855739.db2.gz AGERYVGBZJYLCE-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000054080469 388030089 /nfs/dbraw/zinc/03/00/89/388030089.db2.gz AGERYVGBZJYLCE-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000054081458 388030008 /nfs/dbraw/zinc/03/00/08/388030008.db2.gz RZIGRAVHMMJAOB-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000054081460 322855792 /nfs/dbraw/zinc/85/57/92/322855792.db2.gz RZIGRAVHMMJAOB-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000054081592 322855823 /nfs/dbraw/zinc/85/58/23/322855823.db2.gz VJDSHJGSIGZKHV-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000054081594 322855787 /nfs/dbraw/zinc/85/57/87/322855787.db2.gz VJDSHJGSIGZKHV-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054173029 351744654 /nfs/dbraw/zinc/74/46/54/351744654.db2.gz BJPYNIJMDHOZQK-UHFFFAOYSA-N 1 0 240.328 3.031 20 5 BGBDRO CCCC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000054174373 388020140 /nfs/dbraw/zinc/02/01/40/388020140.db2.gz MXMYKQKIWOPRMK-UHFFFAOYSA-N 1 0 242.344 3.278 20 5 BGBDRO CCC[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000054174930 363563877 /nfs/dbraw/zinc/56/38/77/363563877.db2.gz BEMAURDADZYGRA-SECBINFHSA-N 1 0 242.344 3.277 20 5 BGBDRO CCC[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000054174931 363563289 /nfs/dbraw/zinc/56/32/89/363563289.db2.gz BEMAURDADZYGRA-VIFPVBQESA-N 1 0 242.344 3.277 20 5 BGBDRO CC(C)CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000054271532 359930691 /nfs/dbraw/zinc/93/06/91/359930691.db2.gz GFPQQMZEJXOVHR-UHFFFAOYSA-N 1 0 242.344 3.134 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000054466815 388634999 /nfs/dbraw/zinc/63/49/99/388634999.db2.gz ORZQQOAYHSMUJO-MNOVXSKESA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000054466818 171285953 /nfs/dbraw/zinc/28/59/53/171285953.db2.gz ORZQQOAYHSMUJO-QWRGUYRKSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000054466820 388634826 /nfs/dbraw/zinc/63/48/26/388634826.db2.gz ORZQQOAYHSMUJO-GHMZBOCLSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000054466822 171286934 /nfs/dbraw/zinc/28/69/34/171286934.db2.gz ORZQQOAYHSMUJO-WDEREUQCSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054467861 384734950 /nfs/dbraw/zinc/73/49/50/384734950.db2.gz UPCUYSLOTXTESE-MNOVXSKESA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054467863 388634625 /nfs/dbraw/zinc/63/46/25/388634625.db2.gz UPCUYSLOTXTESE-QWRGUYRKSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054467865 322856417 /nfs/dbraw/zinc/85/64/17/322856417.db2.gz UPCUYSLOTXTESE-GHMZBOCLSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054467868 322856371 /nfs/dbraw/zinc/85/63/71/322856371.db2.gz UPCUYSLOTXTESE-WDEREUQCSA-N 1 0 236.315 3.292 20 5 BGBDRO CC[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000054468255 363178767 /nfs/dbraw/zinc/17/87/67/363178767.db2.gz CWKXZGVJFBCQKG-SNVBAGLBSA-N 1 0 236.315 3.039 20 5 BGBDRO CC[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000054468257 363178311 /nfs/dbraw/zinc/17/83/11/363178311.db2.gz CWKXZGVJFBCQKG-JTQLQIEISA-N 1 0 236.315 3.039 20 5 BGBDRO CC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000054471334 388686214 /nfs/dbraw/zinc/68/62/14/388686214.db2.gz ZUNUGPBTVAEUNZ-SNVBAGLBSA-N 1 0 236.315 3.039 20 5 BGBDRO CC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000054471336 536130176 /nfs/dbraw/zinc/13/01/76/536130176.db2.gz ZUNUGPBTVAEUNZ-JTQLQIEISA-N 1 0 236.315 3.039 20 5 BGBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)C ZINC000056493496 358898349 /nfs/dbraw/zinc/89/83/49/358898349.db2.gz VVLYHNKSVLKYML-UHFFFAOYSA-N 1 0 242.344 3.134 20 5 BGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000058874221 372107880 /nfs/dbraw/zinc/10/78/80/372107880.db2.gz AFRIAPIKBBYCGM-CYBMUJFWSA-N 1 0 248.326 3.359 20 5 BGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000058874732 360373277 /nfs/dbraw/zinc/37/32/77/360373277.db2.gz AKDXPTAULBCYPN-RYUDHWBXSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000059615543 355619525 /nfs/dbraw/zinc/61/95/25/355619525.db2.gz AXTJPEWSDXBZKP-TXEJJXNPSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000059615546 355619829 /nfs/dbraw/zinc/61/98/29/355619829.db2.gz AXTJPEWSDXBZKP-RYUDHWBXSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000059615550 355619759 /nfs/dbraw/zinc/61/97/59/355619759.db2.gz AXTJPEWSDXBZKP-VXGBXAGGSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000060575366 343974178 /nfs/dbraw/zinc/97/41/78/343974178.db2.gz RXJNMIKJHPCOFH-SNVBAGLBSA-N 1 0 236.315 3.134 20 5 BGBDRO Cc1c(C[N@@H+](C(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000061164249 368559278 /nfs/dbraw/zinc/55/92/78/368559278.db2.gz GWFGGHWSHPRQHS-UHFFFAOYSA-N 1 0 248.326 3.276 20 5 BGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000061757814 368569104 /nfs/dbraw/zinc/56/91/04/368569104.db2.gz NOGWNDBFXURSAF-RYUDHWBXSA-N 1 0 248.326 3.073 20 5 BGBDRO CCCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061757893 369844795 /nfs/dbraw/zinc/84/47/95/369844795.db2.gz JQHNXECPYMTNPX-LLVKDONJSA-N 1 0 236.315 3.388 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000063302474 351321785 /nfs/dbraw/zinc/32/17/85/351321785.db2.gz ZTBZLHCOHNJRBY-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302496 351321593 /nfs/dbraw/zinc/32/15/93/351321593.db2.gz SXARZZAGQXMXPM-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000063309302 351321440 /nfs/dbraw/zinc/32/14/40/351321440.db2.gz HRLDRYQYGOZJHO-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000063618537 368590772 /nfs/dbraw/zinc/59/07/72/368590772.db2.gz GJPVSBWHGRNQHM-AWEZNQCLSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000063618561 368589353 /nfs/dbraw/zinc/58/93/53/368589353.db2.gz NFEAIFYJAWQRGA-ZDUSSCGKSA-N 1 0 248.326 3.215 20 5 BGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350051 359076796 /nfs/dbraw/zinc/07/67/96/359076796.db2.gz WZTARFPHRJQHFI-UHFFFAOYSA-N 1 0 236.315 3.215 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000066404096 368646777 /nfs/dbraw/zinc/64/67/77/368646777.db2.gz ONRSPURLOYRHTD-NSHDSACASA-N 1 0 234.299 3.142 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000066404099 368646885 /nfs/dbraw/zinc/64/68/85/368646885.db2.gz ONRSPURLOYRHTD-LLVKDONJSA-N 1 0 234.299 3.142 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000066405940 361229053 /nfs/dbraw/zinc/22/90/53/361229053.db2.gz DMVFVCQEVQBTIX-NEPJUHHUSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000066405946 361229073 /nfs/dbraw/zinc/22/90/73/361229073.db2.gz DMVFVCQEVQBTIX-RYUDHWBXSA-N 1 0 248.326 3.388 20 5 BGBDRO CCCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066406507 370578048 /nfs/dbraw/zinc/57/80/48/370578048.db2.gz JQHNXECPYMTNPX-NSHDSACASA-N 1 0 236.315 3.388 20 5 BGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000066406543 368646876 /nfs/dbraw/zinc/64/68/76/368646876.db2.gz NOGWNDBFXURSAF-VXGBXAGGSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066531392 388684622 /nfs/dbraw/zinc/68/46/22/388684622.db2.gz CHPVUXKHNLVSAG-TXEJJXNPSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066531393 388684626 /nfs/dbraw/zinc/68/46/26/388684626.db2.gz CHPVUXKHNLVSAG-RYUDHWBXSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000066531394 388683914 /nfs/dbraw/zinc/68/39/14/388683914.db2.gz CHPVUXKHNLVSAG-VXGBXAGGSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000066560090 368652727 /nfs/dbraw/zinc/65/27/27/368652727.db2.gz SQOCXUOZWLQKHV-LBPRGKRZSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000066560092 368652816 /nfs/dbraw/zinc/65/28/16/368652816.db2.gz SQOCXUOZWLQKHV-GFCCVEGCSA-N 1 0 248.326 3.388 20 5 BGBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000066594339 168043546 /nfs/dbraw/zinc/04/35/46/168043546.db2.gz CHWHIWJKEQTZCE-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000066594347 168043210 /nfs/dbraw/zinc/04/32/10/168043210.db2.gz UQZZMJPTEONZFQ-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000066594348 168044045 /nfs/dbraw/zinc/04/40/45/168044045.db2.gz CLSCUHWQFBSZFA-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000068828745 388716758 /nfs/dbraw/zinc/71/67/58/388716758.db2.gz ZTBZLHCOHNJRBY-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068828920 388716611 /nfs/dbraw/zinc/71/66/11/388716611.db2.gz SXARZZAGQXMXPM-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068838139 388716655 /nfs/dbraw/zinc/71/66/55/388716655.db2.gz HRLDRYQYGOZJHO-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000069537483 388723527 /nfs/dbraw/zinc/72/35/27/388723527.db2.gz AFRIAPIKBBYCGM-ZDUSSCGKSA-N 1 0 248.326 3.359 20 5 BGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000069874717 350847791 /nfs/dbraw/zinc/84/77/91/350847791.db2.gz AKDXPTAULBCYPN-TXEJJXNPSA-N 1 0 248.326 3.073 20 5 BGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000070011538 134906390 /nfs/dbraw/zinc/90/63/90/134906390.db2.gz SGEPBXIWNIPPHH-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000070101063 491132426 /nfs/dbraw/zinc/13/24/26/491132426.db2.gz SKGDMXDVOUNTCF-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000070101064 491132417 /nfs/dbraw/zinc/13/24/17/491132417.db2.gz SKGDMXDVOUNTCF-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000070101065 491132471 /nfs/dbraw/zinc/13/24/71/491132471.db2.gz SKGDMXDVOUNTCF-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000070101334 410440184 /nfs/dbraw/zinc/44/01/84/410440184.db2.gz BDNVKUILKAEAJD-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000070101335 410440362 /nfs/dbraw/zinc/44/03/62/410440362.db2.gz BDNVKUILKAEAJD-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000070101336 359041177 /nfs/dbraw/zinc/04/11/77/359041177.db2.gz BDNVKUILKAEAJD-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000070101337 410440220 /nfs/dbraw/zinc/44/02/20/410440220.db2.gz BDNVKUILKAEAJD-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000070101676 410439641 /nfs/dbraw/zinc/43/96/41/410439641.db2.gz GJEFNTJFNPNLBL-NSHDSACASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H](C)CC2CC2)cc1[N+](=O)[O-] ZINC000070101677 134908486 /nfs/dbraw/zinc/90/84/86/134908486.db2.gz GJEFNTJFNPNLBL-LLVKDONJSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000070102604 371008330 /nfs/dbraw/zinc/00/83/30/371008330.db2.gz GEBBKLCDGKAYCV-JTQLQIEISA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)CC2CC2)cccc1[N+](=O)[O-] ZINC000070102605 371008486 /nfs/dbraw/zinc/00/84/86/371008486.db2.gz GEBBKLCDGKAYCV-SNVBAGLBSA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000071205386 384703241 /nfs/dbraw/zinc/70/32/41/384703241.db2.gz TXJANHYTOAXKNW-MDZLAQPJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000071205387 384704243 /nfs/dbraw/zinc/70/42/43/384704243.db2.gz TXJANHYTOAXKNW-GVXVVHGQSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000071205388 384704188 /nfs/dbraw/zinc/70/41/88/384704188.db2.gz TXJANHYTOAXKNW-NTZNESFSSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000071205389 176897327 /nfs/dbraw/zinc/89/73/27/176897327.db2.gz TXJANHYTOAXKNW-GMXVVIOVSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205874 323887747 /nfs/dbraw/zinc/88/77/47/323887747.db2.gz OXXBHQGCINNMTG-SUNKGSAMSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205875 384704673 /nfs/dbraw/zinc/70/46/73/384704673.db2.gz OXXBHQGCINNMTG-MJVIPROJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205876 323887805 /nfs/dbraw/zinc/88/78/05/323887805.db2.gz OXXBHQGCINNMTG-UHIISALHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000071205877 384704872 /nfs/dbraw/zinc/70/48/72/384704872.db2.gz OXXBHQGCINNMTG-COPLHBTASA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000071206226 325061575 /nfs/dbraw/zinc/06/15/75/325061575.db2.gz YWUBMTQXEXABQA-SUNKGSAMSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000071206227 323886585 /nfs/dbraw/zinc/88/65/85/323886585.db2.gz YWUBMTQXEXABQA-MJVIPROJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000071206228 323886229 /nfs/dbraw/zinc/88/62/29/323886229.db2.gz YWUBMTQXEXABQA-UHIISALHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000071206229 384705546 /nfs/dbraw/zinc/70/55/46/384705546.db2.gz YWUBMTQXEXABQA-COPLHBTASA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071206506 178624251 /nfs/dbraw/zinc/62/42/51/178624251.db2.gz RWPKTLOJSLRAPC-GXFFZTMASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000071206507 643105629 /nfs/dbraw/zinc/10/56/29/643105629.db2.gz RWPKTLOJSLRAPC-GWCFXTLKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000071206508 643106550 /nfs/dbraw/zinc/10/65/50/643106550.db2.gz RWPKTLOJSLRAPC-ZWNOBZJWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000071206509 643105589 /nfs/dbraw/zinc/10/55/89/643105589.db2.gz RWPKTLOJSLRAPC-MFKMUULPSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000071207444 643109536 /nfs/dbraw/zinc/10/95/36/643109536.db2.gz YIGXKSKUZYSJMQ-GXFFZTMASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000071207445 643107949 /nfs/dbraw/zinc/10/79/49/643107949.db2.gz YIGXKSKUZYSJMQ-GWCFXTLKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000071207446 643424467 /nfs/dbraw/zinc/42/44/67/643424467.db2.gz YIGXKSKUZYSJMQ-ZWNOBZJWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000071207447 643109751 /nfs/dbraw/zinc/10/97/51/643109751.db2.gz YIGXKSKUZYSJMQ-MFKMUULPSA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071784469 325090346 /nfs/dbraw/zinc/09/03/46/325090346.db2.gz LBJXTIBTZJZUFB-TXEJJXNPSA-N 1 0 248.326 3.010 20 5 BGBDRO C[C@H]1CC[C@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071784470 325090280 /nfs/dbraw/zinc/09/02/80/325090280.db2.gz LBJXTIBTZJZUFB-RYUDHWBXSA-N 1 0 248.326 3.010 20 5 BGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071784471 325090288 /nfs/dbraw/zinc/09/02/88/325090288.db2.gz LBJXTIBTZJZUFB-VXGBXAGGSA-N 1 0 248.326 3.010 20 5 BGBDRO Cc1c(C[N@@H+](C)[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000071950769 384863930 /nfs/dbraw/zinc/86/39/30/384863930.db2.gz ZIUPFHGSTAVCAB-NSHDSACASA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@@H+](C)[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000071950770 384857830 /nfs/dbraw/zinc/85/78/30/384857830.db2.gz ZIUPFHGSTAVCAB-LLVKDONJSA-N 1 0 248.326 3.134 20 5 BGBDRO CC(C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583122 368773891 /nfs/dbraw/zinc/77/38/91/368773891.db2.gz KFQOZVIBXXFKQH-NSHDSACASA-N 1 0 236.315 3.244 20 5 BGBDRO CC(C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072583124 368774449 /nfs/dbraw/zinc/77/44/49/368774449.db2.gz KFQOZVIBXXFKQH-LLVKDONJSA-N 1 0 236.315 3.244 20 5 BGBDRO CC(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000073651719 325208739 /nfs/dbraw/zinc/20/87/39/325208739.db2.gz ZIXXTTJOJJVXQP-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000074317200 490300546 /nfs/dbraw/zinc/30/05/46/490300546.db2.gz NVAXSNZYDUVGSE-JTQLQIEISA-N 1 0 236.315 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000074317204 490300443 /nfs/dbraw/zinc/30/04/43/490300443.db2.gz NVAXSNZYDUVGSE-SNVBAGLBSA-N 1 0 236.315 3.119 20 5 BGBDRO CCC(C)(C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000074320213 368837539 /nfs/dbraw/zinc/83/75/39/368837539.db2.gz INLOZXLPGPFCIF-UHFFFAOYSA-N 1 0 236.315 3.215 20 5 BGBDRO CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000074320485 368837993 /nfs/dbraw/zinc/83/79/93/368837993.db2.gz TXRRBQHPXKBJSZ-UHFFFAOYSA-N 1 0 236.315 3.215 20 5 BGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000075020894 356790697 /nfs/dbraw/zinc/79/06/97/356790697.db2.gz CVARVLNALYSSQX-TXEJJXNPSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000075022011 370069832 /nfs/dbraw/zinc/06/98/32/370069832.db2.gz GEROYCOVAKHFMV-WCQYABFASA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000075022012 370069795 /nfs/dbraw/zinc/06/97/95/370069795.db2.gz GEROYCOVAKHFMV-AAEUAGOBSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000075022013 370069867 /nfs/dbraw/zinc/06/98/67/370069867.db2.gz GEROYCOVAKHFMV-DGCLKSJQSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000075022014 370070298 /nfs/dbraw/zinc/07/02/98/370070298.db2.gz GEROYCOVAKHFMV-YPMHNXCESA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000075022769 344762527 /nfs/dbraw/zinc/76/25/27/344762527.db2.gz XGPLMJSLOJBGCV-WCQYABFASA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000075022770 344762328 /nfs/dbraw/zinc/76/23/28/344762328.db2.gz XGPLMJSLOJBGCV-AAEUAGOBSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000075022771 344762510 /nfs/dbraw/zinc/76/25/10/344762510.db2.gz XGPLMJSLOJBGCV-DGCLKSJQSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000075022772 344762514 /nfs/dbraw/zinc/76/25/14/344762514.db2.gz XGPLMJSLOJBGCV-YPMHNXCESA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000075616508 344781436 /nfs/dbraw/zinc/78/14/36/344781436.db2.gz PUQSIWOATMJHSX-NEPJUHHUSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000075616512 344781209 /nfs/dbraw/zinc/78/12/09/344781209.db2.gz PUQSIWOATMJHSX-RYUDHWBXSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(C)(C)C1 ZINC000076014505 325325407 /nfs/dbraw/zinc/32/54/07/325325407.db2.gz DWIJJPOQHUNWKV-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(C)(C)C1 ZINC000076014508 325325337 /nfs/dbraw/zinc/32/53/37/325325337.db2.gz DWIJJPOQHUNWKV-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO Cc1c(C[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000076015136 362949626 /nfs/dbraw/zinc/94/96/26/362949626.db2.gz FJVKNEYSKBBJSW-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC000076015381 344790495 /nfs/dbraw/zinc/79/04/95/344790495.db2.gz PVZKDJTYGJFBPZ-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC000076015384 344790831 /nfs/dbraw/zinc/79/08/31/344790831.db2.gz PVZKDJTYGJFBPZ-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000076112024 344796227 /nfs/dbraw/zinc/79/62/27/344796227.db2.gz LZXVKWSKNRTDRY-TUAOUCFPSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000076112027 344796298 /nfs/dbraw/zinc/79/62/98/344796298.db2.gz LZXVKWSKNRTDRY-UTUOFQBUSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000076113643 364378460 /nfs/dbraw/zinc/37/84/60/364378460.db2.gz VUOPQYWUYDTKIN-TUAOUCFPSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000076113647 344796722 /nfs/dbraw/zinc/79/67/22/344796722.db2.gz VUOPQYWUYDTKIN-UTUOFQBUSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C ZINC000076116729 176019425 /nfs/dbraw/zinc/01/94/25/176019425.db2.gz VDTSHAIHILZINW-MNOVXSKESA-N 1 0 234.299 3.140 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C ZINC000076117783 398232159 /nfs/dbraw/zinc/23/21/59/398232159.db2.gz ZHMGDQBRTOCURH-MNOVXSKESA-N 1 0 234.299 3.140 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1C ZINC000076117784 344797510 /nfs/dbraw/zinc/79/75/10/344797510.db2.gz ZHMGDQBRTOCURH-QWRGUYRKSA-N 1 0 234.299 3.140 20 5 BGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076148825 135013875 /nfs/dbraw/zinc/01/38/75/135013875.db2.gz RJYCCAKXBUMGRE-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076148826 135012959 /nfs/dbraw/zinc/01/29/59/135012959.db2.gz RJYCCAKXBUMGRE-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076148827 135013006 /nfs/dbraw/zinc/01/30/06/135013006.db2.gz RJYCCAKXBUMGRE-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076148828 135013775 /nfs/dbraw/zinc/01/37/75/135013775.db2.gz RJYCCAKXBUMGRE-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076150334 135015137 /nfs/dbraw/zinc/01/51/37/135015137.db2.gz OQHKVEJMBQJUQN-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076150335 135014331 /nfs/dbraw/zinc/01/43/31/135014331.db2.gz OQHKVEJMBQJUQN-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000076150336 135014594 /nfs/dbraw/zinc/01/45/94/135014594.db2.gz OQHKVEJMBQJUQN-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000076150337 135014918 /nfs/dbraw/zinc/01/49/18/135014918.db2.gz OQHKVEJMBQJUQN-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO CCCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000076496899 325346694 /nfs/dbraw/zinc/34/66/94/325346694.db2.gz XJVHUSXKBFOKLG-UHFFFAOYSA-N 1 0 236.315 3.263 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000076770460 178632241 /nfs/dbraw/zinc/63/22/41/178632241.db2.gz QFFKLNCPYQNRCN-ZDUSSCGKSA-N 1 0 246.310 3.102 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000076770462 388443870 /nfs/dbraw/zinc/44/38/70/388443870.db2.gz QFFKLNCPYQNRCN-CYBMUJFWSA-N 1 0 246.310 3.102 20 5 BGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076902769 363858537 /nfs/dbraw/zinc/85/85/37/363858537.db2.gz RCJZBDBXMFLIEV-UHFFFAOYSA-N 1 0 248.326 3.010 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000077319102 325374540 /nfs/dbraw/zinc/37/45/40/325374540.db2.gz MAQUXDKBTXIJSU-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000077319244 325374569 /nfs/dbraw/zinc/37/45/69/325374569.db2.gz FKWKMHDTLIRISE-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000077319462 325374593 /nfs/dbraw/zinc/37/45/93/325374593.db2.gz PVLFUMZDNRLSEJ-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000077357379 388675092 /nfs/dbraw/zinc/67/50/92/388675092.db2.gz SDBCZPGCBKNRPZ-UHFFFAOYSA-N 1 0 248.326 3.358 20 5 BGBDRO CC(C)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000077357507 135063554 /nfs/dbraw/zinc/06/35/54/135063554.db2.gz JJWMQPMLHHONLK-UHFFFAOYSA-N 1 0 248.326 3.358 20 5 BGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077357649 535094142 /nfs/dbraw/zinc/09/41/42/535094142.db2.gz MTZSODIKKCJJKR-UHFFFAOYSA-N 1 0 248.326 3.358 20 5 BGBDRO CC1(C)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000077383023 370414067 /nfs/dbraw/zinc/41/40/67/370414067.db2.gz IKHWZOSZORPDSU-UHFFFAOYSA-N 1 0 240.328 3.031 20 5 BGBDRO CC1(C)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000077383048 135063271 /nfs/dbraw/zinc/06/32/71/135063271.db2.gz MARDZWPYHFZNIW-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO Cc1c(C[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000077383049 325376677 /nfs/dbraw/zinc/37/66/77/325376677.db2.gz VYIZXXQIYHVPQN-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000078217038 535094404 /nfs/dbraw/zinc/09/44/04/535094404.db2.gz URVUXDADORZHHU-UHFFFAOYSA-N 1 0 236.315 3.214 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000080457863 135410115 /nfs/dbraw/zinc/41/01/15/135410115.db2.gz FETQKDFKKGQOSL-MDZLAQPJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000080457871 388710059 /nfs/dbraw/zinc/71/00/59/388710059.db2.gz FETQKDFKKGQOSL-NTZNESFSSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)[C@@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000081047501 385019224 /nfs/dbraw/zinc/01/92/24/385019224.db2.gz RYURMNRBMDASRP-VIFPVBQESA-N 1 0 242.344 3.038 20 5 BGBDRO CC(C)[C@H](C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000081047502 385018537 /nfs/dbraw/zinc/01/85/37/385018537.db2.gz RYURMNRBMDASRP-SECBINFHSA-N 1 0 242.344 3.038 20 5 BGBDRO CCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829126 384576232 /nfs/dbraw/zinc/57/62/32/384576232.db2.gz YKWQTBDWUHJNPE-UHFFFAOYSA-N 1 0 242.706 3.138 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083370925 409916794 /nfs/dbraw/zinc/91/67/94/409916794.db2.gz QXLFDHQGZSWPDU-MRVPVSSYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083370926 171342630 /nfs/dbraw/zinc/34/26/30/171342630.db2.gz QXLFDHQGZSWPDU-QMMMGPOBSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119278 385696400 /nfs/dbraw/zinc/69/64/00/385696400.db2.gz QKGODNLPHUDGPT-HZMBPMFUSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119281 170908625 /nfs/dbraw/zinc/90/86/25/170908625.db2.gz QKGODNLPHUDGPT-IINYFYTJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119284 385696816 /nfs/dbraw/zinc/69/68/16/385696816.db2.gz QKGODNLPHUDGPT-YGRLFVJLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086119286 350948727 /nfs/dbraw/zinc/94/87/27/350948727.db2.gz QKGODNLPHUDGPT-QMTHXVAHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+]CCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000088454314 359955773 /nfs/dbraw/zinc/95/57/73/359955773.db2.gz XIPKQXNMLQAEPJ-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000088454315 356710588 /nfs/dbraw/zinc/71/05/88/356710588.db2.gz XIPKQXNMLQAEPJ-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@H]([NH2+]CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000088454517 383902374 /nfs/dbraw/zinc/90/23/74/383902374.db2.gz KEOSHTNMSMDZON-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000088454518 387190685 /nfs/dbraw/zinc/19/06/85/387190685.db2.gz KEOSHTNMSMDZON-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000088454656 387187846 /nfs/dbraw/zinc/18/78/46/387187846.db2.gz IQBXFBDJCRRNEZ-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000088454657 387187467 /nfs/dbraw/zinc/18/74/67/387187467.db2.gz IQBXFBDJCRRNEZ-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO CC[C@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000088454666 356710385 /nfs/dbraw/zinc/71/03/85/356710385.db2.gz SIKGJTXZSUAODJ-AWEZNQCLSA-N 1 0 248.326 3.436 20 5 BGBDRO CC[C@@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000088454667 359955837 /nfs/dbraw/zinc/95/58/37/359955837.db2.gz SIKGJTXZSUAODJ-CQSZACIVSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000088454781 387187275 /nfs/dbraw/zinc/18/72/75/387187275.db2.gz XXLJLMIJHXTJLR-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@@H]([NH2+]CCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000088454782 175873077 /nfs/dbraw/zinc/87/30/77/175873077.db2.gz XXLJLMIJHXTJLR-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000088747100 397933915 /nfs/dbraw/zinc/93/39/15/397933915.db2.gz WZDYUFIFSQUAMC-AAEUAGOBSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000088747101 175923810 /nfs/dbraw/zinc/92/38/10/175923810.db2.gz WZDYUFIFSQUAMC-YPMHNXCESA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000088747102 176893074 /nfs/dbraw/zinc/89/30/74/176893074.db2.gz WZDYUFIFSQUAMC-WCQYABFASA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000088747103 397933774 /nfs/dbraw/zinc/93/37/74/397933774.db2.gz WZDYUFIFSQUAMC-DGCLKSJQSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000088747650 397933696 /nfs/dbraw/zinc/93/36/96/397933696.db2.gz NQQGMYVNMYXZAC-AAEUAGOBSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000088747651 175923811 /nfs/dbraw/zinc/92/38/11/175923811.db2.gz NQQGMYVNMYXZAC-YPMHNXCESA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000088747652 176893701 /nfs/dbraw/zinc/89/37/01/176893701.db2.gz NQQGMYVNMYXZAC-WCQYABFASA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000088747653 397933645 /nfs/dbraw/zinc/93/36/45/397933645.db2.gz NQQGMYVNMYXZAC-DGCLKSJQSA-N 1 0 246.310 3.354 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000088748258 644528017 /nfs/dbraw/zinc/52/80/17/644528017.db2.gz YZVNXMSKTCKOMO-ZDUSSCGKSA-N 1 0 246.310 3.102 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000088748259 644529113 /nfs/dbraw/zinc/52/91/13/644529113.db2.gz YZVNXMSKTCKOMO-CYBMUJFWSA-N 1 0 246.310 3.102 20 5 BGBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089512699 345559990 /nfs/dbraw/zinc/55/99/90/345559990.db2.gz AKZTVQLCFRGSPQ-AWEZNQCLSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000089512703 345560161 /nfs/dbraw/zinc/56/01/61/345560161.db2.gz AKZTVQLCFRGSPQ-CQSZACIVSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089513477 345560270 /nfs/dbraw/zinc/56/02/70/345560270.db2.gz IJYNWJJHZKRAEM-AWEZNQCLSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089513478 345559840 /nfs/dbraw/zinc/55/98/40/345559840.db2.gz IJYNWJJHZKRAEM-CQSZACIVSA-N 1 0 248.326 3.119 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]CCC2CC2)cccc1[N+](=O)[O-] ZINC000090118353 177628926 /nfs/dbraw/zinc/62/89/26/177628926.db2.gz JXNBOUPTNFCXID-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1c([C@H](C)[NH2+]CCC2CC2)cccc1[N+](=O)[O-] ZINC000090118355 388391468 /nfs/dbraw/zinc/39/14/68/388391468.db2.gz JXNBOUPTNFCXID-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO CCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090219505 388399178 /nfs/dbraw/zinc/39/91/78/388399178.db2.gz JDKLBKHAMSCYAO-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO CCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090219506 388399037 /nfs/dbraw/zinc/39/90/37/388399037.db2.gz JDKLBKHAMSCYAO-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090219907 388399447 /nfs/dbraw/zinc/39/94/47/388399447.db2.gz ACQQPXMTNBDHGN-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090219908 388399213 /nfs/dbraw/zinc/39/92/13/388399213.db2.gz ACQQPXMTNBDHGN-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090233410 363026745 /nfs/dbraw/zinc/02/67/45/363026745.db2.gz KRQIMJWCNIHMFV-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090233412 363026878 /nfs/dbraw/zinc/02/68/78/363026878.db2.gz KRQIMJWCNIHMFV-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000090392723 345567822 /nfs/dbraw/zinc/56/78/22/345567822.db2.gz XFLJNNWGZWRMPI-RYUDHWBXSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000090392724 345568054 /nfs/dbraw/zinc/56/80/54/345568054.db2.gz XFLJNNWGZWRMPI-NEPJUHHUSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000090392725 345568069 /nfs/dbraw/zinc/56/80/69/345568069.db2.gz XFLJNNWGZWRMPI-NWDGAFQWSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000090392726 345567943 /nfs/dbraw/zinc/56/79/43/345567943.db2.gz XFLJNNWGZWRMPI-VXGBXAGGSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090392959 388414351 /nfs/dbraw/zinc/41/43/51/388414351.db2.gz AINBTHZHUHTUSJ-AAEUAGOBSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090392960 388414454 /nfs/dbraw/zinc/41/44/54/388414454.db2.gz AINBTHZHUHTUSJ-YPMHNXCESA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090392961 388414329 /nfs/dbraw/zinc/41/43/29/388414329.db2.gz AINBTHZHUHTUSJ-WCQYABFASA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090392962 388414372 /nfs/dbraw/zinc/41/43/72/388414372.db2.gz AINBTHZHUHTUSJ-DGCLKSJQSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090393527 345567860 /nfs/dbraw/zinc/56/78/60/345567860.db2.gz BUQFPSYVAPYRMV-AAEUAGOBSA-N 1 0 246.310 3.354 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090393529 345567868 /nfs/dbraw/zinc/56/78/68/345567868.db2.gz BUQFPSYVAPYRMV-WCQYABFASA-N 1 0 246.310 3.354 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000091859645 347069554 /nfs/dbraw/zinc/06/95/54/347069554.db2.gz DGLRKORXCIKUEL-JQWIXIFHSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000091859649 371068819 /nfs/dbraw/zinc/06/88/19/371068819.db2.gz DGLRKORXCIKUEL-PWSUYJOCSA-N 1 0 248.326 3.134 20 5 BGBDRO CC[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091929507 371069557 /nfs/dbraw/zinc/06/95/57/371069557.db2.gz QMDOAIYCDOETKV-GFCCVEGCSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000091929514 343611694 /nfs/dbraw/zinc/61/16/94/343611694.db2.gz QMDOAIYCDOETKV-LBPRGKRZSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091937524 371070209 /nfs/dbraw/zinc/07/02/09/371070209.db2.gz ZPNWEKAKTZYTIO-TXEJJXNPSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091937525 371070183 /nfs/dbraw/zinc/07/01/83/371070183.db2.gz ZPNWEKAKTZYTIO-RYUDHWBXSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000091937526 371070245 /nfs/dbraw/zinc/07/02/45/371070245.db2.gz ZPNWEKAKTZYTIO-VXGBXAGGSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1ccc(C[N@H+](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000092067106 352507906 /nfs/dbraw/zinc/50/79/06/352507906.db2.gz WDFCNUDLTXOORD-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)C ZINC000092732391 398312699 /nfs/dbraw/zinc/31/26/99/398312699.db2.gz GSOCYOBBMJNHOC-KPKJPENVSA-N 1 0 248.326 3.244 20 5 BGBDRO CC1(C)C([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000092815395 371124481 /nfs/dbraw/zinc/12/44/81/371124481.db2.gz OQQWHJPMZZYFHP-UHFFFAOYSA-N 1 0 248.326 3.119 20 5 BGBDRO CC1(C)C([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000092815580 371122681 /nfs/dbraw/zinc/12/26/81/371122681.db2.gz YORDWFGHLYEVFJ-UHFFFAOYSA-N 1 0 248.326 3.119 20 5 BGBDRO CC1(C)C([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000092816147 371124672 /nfs/dbraw/zinc/12/46/72/371124672.db2.gz DOJCYKQUHAICLD-UHFFFAOYSA-N 1 0 248.326 3.119 20 5 BGBDRO Cc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000093339837 371157852 /nfs/dbraw/zinc/15/78/52/371157852.db2.gz UBHIVBPXRLQAHD-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000093475706 388743138 /nfs/dbraw/zinc/74/31/38/388743138.db2.gz BOQFJNHKWZLANQ-FNORWQNLSA-N 1 0 246.310 3.092 20 5 BGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094266110 356650481 /nfs/dbraw/zinc/65/04/81/356650481.db2.gz ATZACGWPUFCNGY-ZDUSSCGKSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094266111 356648540 /nfs/dbraw/zinc/64/85/40/356648540.db2.gz ATZACGWPUFCNGY-CYBMUJFWSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094266154 386979239 /nfs/dbraw/zinc/97/92/39/386979239.db2.gz ZOOBFYCFHAAQEQ-ZDUSSCGKSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094266155 256638726 /nfs/dbraw/zinc/63/87/26/256638726.db2.gz ZOOBFYCFHAAQEQ-CYBMUJFWSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094308371 356726218 /nfs/dbraw/zinc/72/62/18/356726218.db2.gz GVTLASRWPSZJPN-ZDUSSCGKSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094308372 356723912 /nfs/dbraw/zinc/72/39/12/356723912.db2.gz GVTLASRWPSZJPN-CYBMUJFWSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000094868878 384987223 /nfs/dbraw/zinc/98/72/23/384987223.db2.gz SCPLEZBEIQNVKT-JTQLQIEISA-N 1 0 246.266 3.039 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000094868879 322977560 /nfs/dbraw/zinc/97/75/60/322977560.db2.gz SCPLEZBEIQNVKT-SNVBAGLBSA-N 1 0 246.266 3.039 20 5 BGBDRO CC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000102705272 171307919 /nfs/dbraw/zinc/30/79/19/171307919.db2.gz RXJNMIKJHPCOFH-JTQLQIEISA-N 1 0 236.315 3.134 20 5 BGBDRO CCCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000103862661 387463411 /nfs/dbraw/zinc/46/34/11/387463411.db2.gz JLTXPXYGFAVORF-CLFYSBASSA-N 1 0 248.326 3.340 20 5 BGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000104078358 177132477 /nfs/dbraw/zinc/13/24/77/177132477.db2.gz CVARVLNALYSSQX-RYUDHWBXSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000104078361 176116592 /nfs/dbraw/zinc/11/65/92/176116592.db2.gz CVARVLNALYSSQX-VXGBXAGGSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000106239229 177193474 /nfs/dbraw/zinc/19/34/74/177193474.db2.gz SFRUZHSTZJWIDB-AULYBMBSSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000106239233 177193461 /nfs/dbraw/zinc/19/34/61/177193461.db2.gz HARNCADWKSJRMX-AULYBMBSSA-N 1 0 248.326 3.263 20 5 BGBDRO CCC(CC)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000106479949 168363728 /nfs/dbraw/zinc/36/37/28/168363728.db2.gz HYHBGLZLVQADDB-UHFFFAOYSA-N 1 0 242.344 3.182 20 5 BGBDRO CC[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000111253334 385497546 /nfs/dbraw/zinc/49/75/46/385497546.db2.gz QCNFEVUQJLUOSW-LLVKDONJSA-N 1 0 236.315 3.073 20 5 BGBDRO CC[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000111253336 171274743 /nfs/dbraw/zinc/27/47/43/171274743.db2.gz QCNFEVUQJLUOSW-NSHDSACASA-N 1 0 236.315 3.073 20 5 BGBDRO Cc1c(C[N@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111296431 397907591 /nfs/dbraw/zinc/90/75/91/397907591.db2.gz YRTVLCZFDLUYQH-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000112375649 368870790 /nfs/dbraw/zinc/87/07/90/368870790.db2.gz BPPQHGNNBMYZKK-SNVBAGLBSA-N 1 0 236.315 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000112375703 357507114 /nfs/dbraw/zinc/50/71/14/357507114.db2.gz ALRVIHMKLOGEHY-MRVPVSSYSA-N 1 0 242.344 3.181 20 5 BGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000112376033 383922850 /nfs/dbraw/zinc/92/28/50/383922850.db2.gz BXBJNTCJEMCNKC-JTQLQIEISA-N 1 0 236.315 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000112376034 383922400 /nfs/dbraw/zinc/92/24/00/383922400.db2.gz BXBJNTCJEMCNKC-SNVBAGLBSA-N 1 0 236.315 3.119 20 5 BGBDRO CC1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000112701691 398146891 /nfs/dbraw/zinc/14/68/91/398146891.db2.gz DAJMRKUFNLJGGX-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000112702047 385856504 /nfs/dbraw/zinc/85/65/04/385856504.db2.gz HVAYIMCYTUNKNP-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC1(C)CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000112702831 398147658 /nfs/dbraw/zinc/14/76/58/398147658.db2.gz ZWPGIYCUPQIQQJ-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC(C)[NH+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000114649965 188066790 /nfs/dbraw/zinc/06/67/90/188066790.db2.gz WHORYBNTUMXXTK-UHFFFAOYSA-N 1 0 236.315 3.214 20 5 BGBDRO CC[NH+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270761 388708609 /nfs/dbraw/zinc/70/86/09/388708609.db2.gz SLJDPJFKVLTIBR-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274350 169080927 /nfs/dbraw/zinc/08/09/27/169080927.db2.gz QFPQJHXCUHGZMN-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CCC(C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000116359027 323204777 /nfs/dbraw/zinc/20/47/77/323204777.db2.gz IJZXFUCETQSEGX-UHFFFAOYSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC(C)(CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000116359104 323204834 /nfs/dbraw/zinc/20/48/34/323204834.db2.gz JBAIEQBWERUVAH-UHFFFAOYSA-N 1 0 236.315 3.263 20 5 BGBDRO CCC(C)(CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000116359444 168311796 /nfs/dbraw/zinc/31/17/96/168311796.db2.gz MGKNIHLTWBGCPN-UHFFFAOYSA-N 1 0 242.344 3.325 20 5 BGBDRO CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000116482052 345756491 /nfs/dbraw/zinc/75/64/91/345756491.db2.gz YZCPTDYGMIAUQY-CYBMUJFWSA-N 1 0 248.326 3.184 20 5 BGBDRO CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000116482063 356424482 /nfs/dbraw/zinc/42/44/82/356424482.db2.gz YZCPTDYGMIAUQY-ZDUSSCGKSA-N 1 0 248.326 3.184 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000119655463 344450258 /nfs/dbraw/zinc/45/02/58/344450258.db2.gz CUJQAAPPUDPWIO-NSHDSACASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000119655605 344450400 /nfs/dbraw/zinc/45/04/00/344450400.db2.gz CUJQAAPPUDPWIO-LLVKDONJSA-N 1 0 248.326 3.181 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000120135849 384686081 /nfs/dbraw/zinc/68/60/81/384686081.db2.gz CKXZTSZYOQTRCX-UHFFFAOYSA-N 1 0 246.310 3.185 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000120138643 518202955 /nfs/dbraw/zinc/20/29/55/518202955.db2.gz KEXXGEABBIEUNS-UHFFFAOYSA-N 1 0 246.310 3.185 20 5 BGBDRO Cc1ccc(C[N@@H+](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000121331938 386893360 /nfs/dbraw/zinc/89/33/60/386893360.db2.gz JDTLGHQETJMSKX-UHFFFAOYSA-N 1 0 248.326 3.276 20 5 BGBDRO CCC[NH+](CCC)Cc1csc([N+](=O)[O-])c1 ZINC000121882618 169150509 /nfs/dbraw/zinc/15/05/09/169150509.db2.gz RWOTWWHAMWUEFX-UHFFFAOYSA-N 1 0 242.344 3.278 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000122037465 359879722 /nfs/dbraw/zinc/87/97/22/359879722.db2.gz CXKJTFXSESNZNU-LLVKDONJSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000122037694 359879173 /nfs/dbraw/zinc/87/91/73/359879173.db2.gz CXKJTFXSESNZNU-NSHDSACASA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC=CC1 ZINC000122051833 360419732 /nfs/dbraw/zinc/41/97/32/360419732.db2.gz NGYBIFLYHOOVPR-LLVKDONJSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC=CC1 ZINC000122052018 360420077 /nfs/dbraw/zinc/42/00/77/360420077.db2.gz NGYBIFLYHOOVPR-NSHDSACASA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]C2CC=CC2)cccc1[N+](=O)[O-] ZINC000122052732 387344045 /nfs/dbraw/zinc/34/40/45/387344045.db2.gz BNZTWWOJIHZWDE-LLVKDONJSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C2CC=CC2)cccc1[N+](=O)[O-] ZINC000122052933 387344017 /nfs/dbraw/zinc/34/40/17/387344017.db2.gz BNZTWWOJIHZWDE-NSHDSACASA-N 1 0 246.310 3.272 20 5 BGBDRO CC[C@H]([NH2+]C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000122085127 362909336 /nfs/dbraw/zinc/90/93/36/362909336.db2.gz WQQZQECVDQOLTD-AWEZNQCLSA-N 1 0 246.310 3.354 20 5 BGBDRO CC[C@@H]([NH2+]C1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000122085363 362909702 /nfs/dbraw/zinc/90/97/02/362909702.db2.gz WQQZQECVDQOLTD-CQSZACIVSA-N 1 0 246.310 3.354 20 5 BGBDRO Cc1cc(NC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000122190310 589561532 /nfs/dbraw/zinc/56/15/32/589561532.db2.gz MIFRHPZMLQBMJM-UHFFFAOYSA-N 1 0 243.266 3.026 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000122466264 176175315 /nfs/dbraw/zinc/17/53/15/176175315.db2.gz NLOGFKULLNUJLK-NEPJUHHUSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000122466494 177164805 /nfs/dbraw/zinc/16/48/05/177164805.db2.gz NLOGFKULLNUJLK-RYUDHWBXSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122705736 176176701 /nfs/dbraw/zinc/17/67/01/176176701.db2.gz XIBAXOURGSZJKO-NEPJUHHUSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000122705912 177164153 /nfs/dbraw/zinc/16/41/53/177164153.db2.gz XIBAXOURGSZJKO-RYUDHWBXSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H]([NH2+]CCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000122829889 589635935 /nfs/dbraw/zinc/63/59/35/589635935.db2.gz ACDCCLKICLRPSB-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000122830114 589635969 /nfs/dbraw/zinc/63/59/69/589635969.db2.gz ACDCCLKICLRPSB-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000122943138 176176230 /nfs/dbraw/zinc/17/62/30/176176230.db2.gz ORQSAFJAZNELOS-NEPJUHHUSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000122943404 177165239 /nfs/dbraw/zinc/16/52/39/177165239.db2.gz ORQSAFJAZNELOS-RYUDHWBXSA-N 1 0 248.326 3.073 20 5 BGBDRO Cc1ccc(C[NH2+]CCC2CCC2)cc1[N+](=O)[O-] ZINC000123003843 712623671 /nfs/dbraw/zinc/62/36/71/712623671.db2.gz BKGCPWSNBGAJGW-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO Cc1c(C[N@H+]2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123146798 388628740 /nfs/dbraw/zinc/62/87/40/388628740.db2.gz CTNUQRUPVLBKNF-PHIMTYICSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1c(C[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000123147020 388628353 /nfs/dbraw/zinc/62/83/53/388628353.db2.gz CTNUQRUPVLBKNF-QWRGUYRKSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1c(C[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000123147247 388628628 /nfs/dbraw/zinc/62/86/28/388628628.db2.gz CTNUQRUPVLBKNF-GHMZBOCLSA-N 1 0 248.326 3.276 20 5 BGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123216745 324101474 /nfs/dbraw/zinc/10/14/74/324101474.db2.gz AKTRAYOAXDNSRP-OCCSQVGLSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123216992 324101814 /nfs/dbraw/zinc/10/18/14/324101814.db2.gz AKTRAYOAXDNSRP-JSGCOSHPSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123217196 324102039 /nfs/dbraw/zinc/10/20/39/324102039.db2.gz AKTRAYOAXDNSRP-TZMCWYRMSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123217411 324101800 /nfs/dbraw/zinc/10/18/00/324101800.db2.gz AKTRAYOAXDNSRP-GXTWGEPZSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000123223647 324099972 /nfs/dbraw/zinc/09/99/72/324099972.db2.gz CPDZCVNSCGSTQE-OCCSQVGLSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000123223870 324099712 /nfs/dbraw/zinc/09/97/12/324099712.db2.gz CPDZCVNSCGSTQE-JSGCOSHPSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000123224052 324099818 /nfs/dbraw/zinc/09/98/18/324099818.db2.gz CPDZCVNSCGSTQE-TZMCWYRMSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000123224288 324099562 /nfs/dbraw/zinc/09/95/62/324099562.db2.gz CPDZCVNSCGSTQE-GXTWGEPZSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000123343385 177186931 /nfs/dbraw/zinc/18/69/31/177186931.db2.gz DBEABUGNRSEYDD-DTORHVGOSA-N 1 0 240.328 3.029 20 5 BGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1csc([N+](=O)[O-])c1 ZINC000123343639 177199999 /nfs/dbraw/zinc/19/99/99/177199999.db2.gz DBEABUGNRSEYDD-IUCAKERBSA-N 1 0 240.328 3.029 20 5 BGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1csc([N+](=O)[O-])c1 ZINC000123343843 176199579 /nfs/dbraw/zinc/19/95/79/176199579.db2.gz DBEABUGNRSEYDD-RKDXNWHRSA-N 1 0 240.328 3.029 20 5 BGBDRO C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124301801 176107512 /nfs/dbraw/zinc/10/75/12/176107512.db2.gz LMNUYRXQVPTYCD-FZKGZDJFSA-N 1 0 246.310 3.092 20 5 BGBDRO C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124302005 177109722 /nfs/dbraw/zinc/10/97/22/177109722.db2.gz LMNUYRXQVPTYCD-ZCRIDZFUSA-N 1 0 246.310 3.092 20 5 BGBDRO CC1(C)CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000125009743 388763101 /nfs/dbraw/zinc/76/31/01/388763101.db2.gz JLLSXOPQADZYNH-LBPRGKRZSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000125010003 167930021 /nfs/dbraw/zinc/93/00/21/167930021.db2.gz JLLSXOPQADZYNH-GFCCVEGCSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000125629288 388673248 /nfs/dbraw/zinc/67/32/48/388673248.db2.gz CDTDQXQZJSNDIB-RYUDHWBXSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC1CC1 ZINC000125639301 371369379 /nfs/dbraw/zinc/36/93/79/371369379.db2.gz IFFOYNWHJUXQRM-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000125900822 388812354 /nfs/dbraw/zinc/81/23/54/388812354.db2.gz BHLXGSYWTIEGTN-GFCCVEGCSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000125901053 388812784 /nfs/dbraw/zinc/81/27/84/388812784.db2.gz BHLXGSYWTIEGTN-LBPRGKRZSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000126289244 388824169 /nfs/dbraw/zinc/82/41/69/388824169.db2.gz DWVGBDHTHOZVSM-UHFFFAOYSA-N 1 0 236.315 3.170 20 5 BGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000126349950 383915413 /nfs/dbraw/zinc/91/54/13/383915413.db2.gz AXVYLFQAHVGLMH-VQHVLOKHSA-N 1 0 248.326 3.338 20 5 BGBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000126357553 388824352 /nfs/dbraw/zinc/82/43/52/388824352.db2.gz ZVFBINMNFIRMAH-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000127265420 387708141 /nfs/dbraw/zinc/70/81/41/387708141.db2.gz CIDLEEBYHRLRHQ-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1ccc(C[N@H+](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000127777102 383934480 /nfs/dbraw/zinc/93/44/80/383934480.db2.gz FQSYSVVEROJRJI-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO CC(C)c1ccc(C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000127932399 384018360 /nfs/dbraw/zinc/01/83/60/384018360.db2.gz RFJYLWCYUVFPFW-UHFFFAOYSA-N 1 0 248.326 3.314 20 5 BGBDRO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000129070928 385715137 /nfs/dbraw/zinc/71/51/37/385715137.db2.gz NECKKOUHVHUUPL-UHFFFAOYSA-N 1 0 240.328 3.079 20 5 BGBDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000129314578 324937287 /nfs/dbraw/zinc/93/72/87/324937287.db2.gz DNIVFVGSNXKXHM-JTQLQIEISA-N 1 0 246.266 3.039 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000129314795 324937250 /nfs/dbraw/zinc/93/72/50/324937250.db2.gz DNIVFVGSNXKXHM-SNVBAGLBSA-N 1 0 246.266 3.039 20 5 BGBDRO CC1(C)CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000129458702 387771590 /nfs/dbraw/zinc/77/15/90/387771590.db2.gz HQRZQIVCMWYDRZ-LBPRGKRZSA-N 1 0 248.326 3.263 20 5 BGBDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000129458914 353131245 /nfs/dbraw/zinc/13/12/45/353131245.db2.gz HQRZQIVCMWYDRZ-GFCCVEGCSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000129621045 386805425 /nfs/dbraw/zinc/80/54/25/386805425.db2.gz XUMWBICDEGYAKE-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000129621254 387775503 /nfs/dbraw/zinc/77/55/03/387775503.db2.gz XUMWBICDEGYAKE-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000129621520 176908500 /nfs/dbraw/zinc/90/85/00/176908500.db2.gz XUMWBICDEGYAKE-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000129621728 386804791 /nfs/dbraw/zinc/80/47/91/386804791.db2.gz XUMWBICDEGYAKE-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129655490 178891137 /nfs/dbraw/zinc/89/11/37/178891137.db2.gz SVWPLFYHCHBGOF-GVXVVHGQSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000129655846 178891833 /nfs/dbraw/zinc/89/18/33/178891833.db2.gz SVWPLFYHCHBGOF-GMXVVIOVSA-N 1 0 248.326 3.210 20 5 BGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000129676853 355863255 /nfs/dbraw/zinc/86/32/55/355863255.db2.gz UGRAQTMMRCRYQV-JKOKRWQUSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000129677276 355863860 /nfs/dbraw/zinc/86/38/60/355863860.db2.gz UGRAQTMMRCRYQV-SUHUHFCYSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130037852 357158374 /nfs/dbraw/zinc/15/83/74/357158374.db2.gz JTXCKKJSYMCSJK-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H](CC1CCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130038089 357158733 /nfs/dbraw/zinc/15/87/33/357158733.db2.gz JTXCKKJSYMCSJK-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO Cc1ccc(C[NH2+]CCCC2CC2)cc1[N+](=O)[O-] ZINC000130614901 325072483 /nfs/dbraw/zinc/07/24/83/325072483.db2.gz VYAZPVJJPXBBMQ-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000131181265 134627657 /nfs/dbraw/zinc/62/76/57/134627657.db2.gz ODHAOYXJEMGAIM-GXFFZTMASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000131181460 371565158 /nfs/dbraw/zinc/56/51/58/371565158.db2.gz ODHAOYXJEMGAIM-GWCFXTLKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000131181680 371566183 /nfs/dbraw/zinc/56/61/83/371566183.db2.gz ODHAOYXJEMGAIM-ZWNOBZJWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000131181888 371565395 /nfs/dbraw/zinc/56/53/95/371565395.db2.gz ODHAOYXJEMGAIM-MFKMUULPSA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131226022 371572729 /nfs/dbraw/zinc/57/27/29/371572729.db2.gz RHFPMXBLTACULJ-MDZLAQPJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131226233 325127115 /nfs/dbraw/zinc/12/71/15/325127115.db2.gz RHFPMXBLTACULJ-GVXVVHGQSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131226436 371573159 /nfs/dbraw/zinc/57/31/59/371573159.db2.gz RHFPMXBLTACULJ-NTZNESFSSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000131226632 325127074 /nfs/dbraw/zinc/12/70/74/325127074.db2.gz RHFPMXBLTACULJ-GMXVVIOVSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000132380615 388359467 /nfs/dbraw/zinc/35/94/67/388359467.db2.gz NZFKHRTYQUKVRS-GXFFZTMASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000132380727 388359315 /nfs/dbraw/zinc/35/93/15/388359315.db2.gz NZFKHRTYQUKVRS-GWCFXTLKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000132380876 177593167 /nfs/dbraw/zinc/59/31/67/177593167.db2.gz NZFKHRTYQUKVRS-ZWNOBZJWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000132381085 388359530 /nfs/dbraw/zinc/35/95/30/388359530.db2.gz NZFKHRTYQUKVRS-MFKMUULPSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000133021866 371970014 /nfs/dbraw/zinc/97/00/14/371970014.db2.gz ZEKGPAJDXHBNFN-LLVKDONJSA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000133022071 371969394 /nfs/dbraw/zinc/96/93/94/371969394.db2.gz ZEKGPAJDXHBNFN-NSHDSACASA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1c(C[N@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135300279 384682611 /nfs/dbraw/zinc/68/26/11/384682611.db2.gz HBRWPYSGIVYHAE-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000135458335 384676164 /nfs/dbraw/zinc/67/61/64/384676164.db2.gz FEOPILGEQMUBAX-QWRGUYRKSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000135458355 384675832 /nfs/dbraw/zinc/67/58/32/384675832.db2.gz FEOPILGEQMUBAX-MNOVXSKESA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000135458374 384676999 /nfs/dbraw/zinc/67/69/99/384676999.db2.gz FEOPILGEQMUBAX-WDEREUQCSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000135458391 384677114 /nfs/dbraw/zinc/67/71/14/384677114.db2.gz FEOPILGEQMUBAX-GHMZBOCLSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000135467607 384720782 /nfs/dbraw/zinc/72/07/82/384720782.db2.gz MPDIPIVBWVWPNB-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000135467623 325413526 /nfs/dbraw/zinc/41/35/26/325413526.db2.gz MPDIPIVBWVWPNB-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO CCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000135621328 325419997 /nfs/dbraw/zinc/41/99/97/325419997.db2.gz SRPHNYLLYGJLSL-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000135624219 384205832 /nfs/dbraw/zinc/20/58/32/384205832.db2.gz JBCMFZWDFKAHAO-UHFFFAOYSA-N 1 0 234.299 3.017 20 5 BGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135795948 344893911 /nfs/dbraw/zinc/89/39/11/344893911.db2.gz WSOKJFRRRBRIEZ-QWRGUYRKSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135795993 344894181 /nfs/dbraw/zinc/89/41/81/344894181.db2.gz WSOKJFRRRBRIEZ-MNOVXSKESA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135796033 344893975 /nfs/dbraw/zinc/89/39/75/344893975.db2.gz WSOKJFRRRBRIEZ-WDEREUQCSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135796058 344894151 /nfs/dbraw/zinc/89/41/51/344894151.db2.gz WSOKJFRRRBRIEZ-GHMZBOCLSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]CCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135796524 325427052 /nfs/dbraw/zinc/42/70/52/325427052.db2.gz ICDFNYSZFQXGSL-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135796562 384364933 /nfs/dbraw/zinc/36/49/33/384364933.db2.gz ICDFNYSZFQXGSL-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO CC(C)(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000136336571 136373022 /nfs/dbraw/zinc/37/30/22/136373022.db2.gz VASJCLWRPMUYBW-UHFFFAOYSA-N 1 0 242.344 3.182 20 5 BGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000140438191 345696159 /nfs/dbraw/zinc/69/61/59/345696159.db2.gz GJPVSBWHGRNQHM-CQSZACIVSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000140441569 358922297 /nfs/dbraw/zinc/92/22/97/358922297.db2.gz YRDXOUZDRCRHDE-AWEZNQCLSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000140441747 345696356 /nfs/dbraw/zinc/69/63/56/345696356.db2.gz YRDXOUZDRCRHDE-CQSZACIVSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000140442999 345696171 /nfs/dbraw/zinc/69/61/71/345696171.db2.gz NFEAIFYJAWQRGA-CYBMUJFWSA-N 1 0 248.326 3.215 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)C ZINC000150946603 323003698 /nfs/dbraw/zinc/00/36/98/323003698.db2.gz KMQPGLLAWOBMMI-LLVKDONJSA-N 1 0 236.315 3.210 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)C ZINC000150946644 323003667 /nfs/dbraw/zinc/00/36/67/323003667.db2.gz KMQPGLLAWOBMMI-NSHDSACASA-N 1 0 236.315 3.210 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]CC(C)C)cccc1[N+](=O)[O-] ZINC000150946805 386743052 /nfs/dbraw/zinc/74/30/52/386743052.db2.gz WYACEVPJJFGXMI-LLVKDONJSA-N 1 0 236.315 3.210 20 5 BGBDRO Cc1c([C@H](C)[NH2+]CC(C)C)cccc1[N+](=O)[O-] ZINC000150946847 386744378 /nfs/dbraw/zinc/74/43/78/386744378.db2.gz WYACEVPJJFGXMI-NSHDSACASA-N 1 0 236.315 3.210 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151040017 323006090 /nfs/dbraw/zinc/00/60/90/323006090.db2.gz KLWRDRDWPHDWEQ-NSHDSACASA-N 1 0 236.315 3.354 20 5 BGBDRO CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151040068 323006187 /nfs/dbraw/zinc/00/61/87/323006187.db2.gz KLWRDRDWPHDWEQ-LLVKDONJSA-N 1 0 236.315 3.354 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151040271 323006085 /nfs/dbraw/zinc/00/60/85/323006085.db2.gz VLRHGTJGCQBABS-NSHDSACASA-N 1 0 236.315 3.354 20 5 BGBDRO CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151040320 323006182 /nfs/dbraw/zinc/00/61/82/323006182.db2.gz VLRHGTJGCQBABS-LLVKDONJSA-N 1 0 236.315 3.354 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCCC1 ZINC000151244073 323014013 /nfs/dbraw/zinc/01/40/13/323014013.db2.gz FVDAPHJJUNZZED-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCCC1 ZINC000151244138 323014012 /nfs/dbraw/zinc/01/40/12/323014012.db2.gz FVDAPHJJUNZZED-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]C2CCCC2)cccc1[N+](=O)[O-] ZINC000151244326 177629054 /nfs/dbraw/zinc/62/90/54/177629054.db2.gz MPFNTAAFWBXTDX-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C2CCCC2)cccc1[N+](=O)[O-] ZINC000151244381 386351624 /nfs/dbraw/zinc/35/16/24/386351624.db2.gz MPFNTAAFWBXTDX-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO CCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000151570517 386464323 /nfs/dbraw/zinc/46/43/23/386464323.db2.gz IFNJXBVXCZFNET-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000151579489 386464390 /nfs/dbraw/zinc/46/43/90/386464390.db2.gz YMVJQLNEZDLKOR-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151595912 386768114 /nfs/dbraw/zinc/76/81/14/386768114.db2.gz DWWDDBRDOKDDIF-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152173929 323131715 /nfs/dbraw/zinc/13/17/15/323131715.db2.gz PYSUJLXOPLBZED-MNOVXSKESA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152174011 323131713 /nfs/dbraw/zinc/13/17/13/323131713.db2.gz PYSUJLXOPLBZED-QWRGUYRKSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152174097 323131685 /nfs/dbraw/zinc/13/16/85/323131685.db2.gz PYSUJLXOPLBZED-GHMZBOCLSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152174175 323131783 /nfs/dbraw/zinc/13/17/83/323131783.db2.gz PYSUJLXOPLBZED-WDEREUQCSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152174613 386791008 /nfs/dbraw/zinc/79/10/08/386791008.db2.gz SHLYNSLSFLHZEC-KOLCDFICSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152174684 171346371 /nfs/dbraw/zinc/34/63/71/171346371.db2.gz SHLYNSLSFLHZEC-ONGXEEELSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152174774 386794697 /nfs/dbraw/zinc/79/46/97/386794697.db2.gz SHLYNSLSFLHZEC-MWLCHTKSSA-N 1 0 236.315 3.352 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152174836 171347976 /nfs/dbraw/zinc/34/79/76/171347976.db2.gz SHLYNSLSFLHZEC-GXSJLCMTSA-N 1 0 236.315 3.352 20 5 BGBDRO CCC[NH+](CCC)Cc1ccccc1[N+](=O)[O-] ZINC000153041282 388399257 /nfs/dbraw/zinc/39/92/57/388399257.db2.gz GVKPRXJUFKOPNU-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO CCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153276652 388958728 /nfs/dbraw/zinc/95/87/28/388958728.db2.gz DESSLVPWBLMEFU-UHFFFAOYSA-N 1 0 248.326 3.143 20 5 BGBDRO CC(C)c1ccc(C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000153775843 326112780 /nfs/dbraw/zinc/11/27/80/326112780.db2.gz CIEWWJDZPYFDQK-UHFFFAOYSA-N 1 0 248.326 3.312 20 5 BGBDRO CC[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154555973 326150425 /nfs/dbraw/zinc/15/04/25/326150425.db2.gz LXAPSXKFWOQQTK-YPUOHESYSA-N 1 0 248.326 3.338 20 5 BGBDRO CC[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000154556081 326150807 /nfs/dbraw/zinc/15/08/07/326150807.db2.gz LXAPSXKFWOQQTK-CRALRDPISA-N 1 0 248.326 3.338 20 5 BGBDRO C[N+](C)(C[C@@H]1Cc2ccccc2O1)C1CCCC1 ZINC000155276510 345076178 /nfs/dbraw/zinc/07/61/78/345076178.db2.gz HCCQISAGNFIOMC-HNNXBMFYSA-N 1 0 246.374 3.009 20 5 BGBDRO C[N+](C)(C[C@H]1Cc2ccccc2O1)C1CCCC1 ZINC000155276600 345075898 /nfs/dbraw/zinc/07/58/98/345075898.db2.gz HCCQISAGNFIOMC-OAHLLOKOSA-N 1 0 246.374 3.009 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCCCC1 ZINC000156159086 326220677 /nfs/dbraw/zinc/22/06/77/326220677.db2.gz XKHJCRBQXCKKGJ-GFCCVEGCSA-N 1 0 248.326 3.450 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCCCC1 ZINC000156159209 326220515 /nfs/dbraw/zinc/22/05/15/326220515.db2.gz XKHJCRBQXCKKGJ-LBPRGKRZSA-N 1 0 248.326 3.450 20 5 BGBDRO Cc1ccc(C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000157372955 326271607 /nfs/dbraw/zinc/27/16/07/326271607.db2.gz BGLWZGYPVDPECO-UHFFFAOYSA-N 1 0 248.326 3.279 20 5 BGBDRO Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000157683152 326290521 /nfs/dbraw/zinc/29/05/21/326290521.db2.gz TVGIPRDNOZOGAM-NSHDSACASA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000157683300 326290488 /nfs/dbraw/zinc/29/04/88/326290488.db2.gz TVGIPRDNOZOGAM-LLVKDONJSA-N 1 0 248.326 3.135 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157730851 384297401 /nfs/dbraw/zinc/29/74/01/384297401.db2.gz MMZBPJWUZZXDRT-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157731010 342844786 /nfs/dbraw/zinc/84/47/86/342844786.db2.gz MMZBPJWUZZXDRT-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000157731160 176908540 /nfs/dbraw/zinc/90/85/40/176908540.db2.gz MMZBPJWUZZXDRT-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157731292 342844843 /nfs/dbraw/zinc/84/48/43/342844843.db2.gz MMZBPJWUZZXDRT-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[N@H+](CC1CC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157904485 326299673 /nfs/dbraw/zinc/29/96/73/326299673.db2.gz MFAKWYWSGYETMK-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO CC[N@H+](CC1CC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157904634 326299609 /nfs/dbraw/zinc/29/96/09/326299609.db2.gz MFAKWYWSGYETMK-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000158046745 178552892 /nfs/dbraw/zinc/55/28/92/178552892.db2.gz DAQNFSTVCVUDFN-NSHDSACASA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000158046889 384288967 /nfs/dbraw/zinc/28/89/67/384288967.db2.gz DAQNFSTVCVUDFN-LLVKDONJSA-N 1 0 248.326 3.134 20 5 BGBDRO CCCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158155008 326310318 /nfs/dbraw/zinc/31/03/18/326310318.db2.gz SLLLOFYQBSCTRJ-UHFFFAOYSA-N 1 0 236.315 3.135 20 5 BGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000158679528 168496347 /nfs/dbraw/zinc/49/63/47/168496347.db2.gz FPEGXZJDNXGTOC-UHFFFAOYSA-N 1 0 234.299 3.017 20 5 BGBDRO Cc1ccc(C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000158851774 326344959 /nfs/dbraw/zinc/34/49/59/326344959.db2.gz HXGNUUUNQZZXLX-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000158929323 326346123 /nfs/dbraw/zinc/34/61/23/326346123.db2.gz LVAYXHHDWQMEQQ-LBPRGKRZSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000158929461 326346291 /nfs/dbraw/zinc/34/62/91/326346291.db2.gz LVAYXHHDWQMEQQ-GFCCVEGCSA-N 1 0 248.326 3.278 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000159963836 385845999 /nfs/dbraw/zinc/84/59/99/385845999.db2.gz GEQSXZJESZIQEE-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000159963968 385845746 /nfs/dbraw/zinc/84/57/46/385845746.db2.gz GEQSXZJESZIQEE-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000159964108 176908567 /nfs/dbraw/zinc/90/85/67/176908567.db2.gz GEQSXZJESZIQEE-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000159964247 385845979 /nfs/dbraw/zinc/84/59/79/385845979.db2.gz GEQSXZJESZIQEE-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163247534 371958094 /nfs/dbraw/zinc/95/80/94/371958094.db2.gz HDKRQZLRZLHGMP-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H](CC1CCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163247652 371958866 /nfs/dbraw/zinc/95/88/66/371958866.db2.gz HDKRQZLRZLHGMP-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163249047 202318101 /nfs/dbraw/zinc/31/81/01/202318101.db2.gz YRGZOJRANAXOQE-YPMHNXCESA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163249144 202319440 /nfs/dbraw/zinc/31/94/40/202319440.db2.gz YRGZOJRANAXOQE-AAEUAGOBSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163249223 202318658 /nfs/dbraw/zinc/31/86/58/202318658.db2.gz YRGZOJRANAXOQE-DGCLKSJQSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000163249306 202319666 /nfs/dbraw/zinc/31/96/66/202319666.db2.gz YRGZOJRANAXOQE-WCQYABFASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163250964 371957662 /nfs/dbraw/zinc/95/76/62/371957662.db2.gz PMQIUVDSLSPHJU-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000163251058 371958699 /nfs/dbraw/zinc/95/86/99/371958699.db2.gz PMQIUVDSLSPHJU-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000163383138 178838299 /nfs/dbraw/zinc/83/82/99/178838299.db2.gz PHOMYVRLXQSFDB-DMLGSKKGSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000163383263 388377886 /nfs/dbraw/zinc/37/78/86/388377886.db2.gz PHOMYVRLXQSFDB-QDYJBQRPSA-N 1 0 248.326 3.352 20 5 BGBDRO C[C@H]([NH2+]C1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000163386455 168147071 /nfs/dbraw/zinc/14/70/71/168147071.db2.gz YYDKZBINCIMVSF-YZRBJQDESA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+]C1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000163386556 168147833 /nfs/dbraw/zinc/14/78/33/168147833.db2.gz YYDKZBINCIMVSF-SQLBVSGCSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000163397284 168146936 /nfs/dbraw/zinc/14/69/36/168146936.db2.gz MUIZRJLKHFCMGD-YZRBJQDESA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000163397383 168148212 /nfs/dbraw/zinc/14/82/12/168148212.db2.gz MUIZRJLKHFCMGD-SQLBVSGCSA-N 1 0 234.299 3.044 20 5 BGBDRO CC[C@H]([NH2+]C1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000163399172 398322058 /nfs/dbraw/zinc/32/20/58/398322058.db2.gz RPDWXWROYOFNBB-OVGLSYRBSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000163399279 134984651 /nfs/dbraw/zinc/98/46/51/134984651.db2.gz RPDWXWROYOFNBB-MMWSSPAHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000164100337 388389120 /nfs/dbraw/zinc/38/91/20/388389120.db2.gz JGKITHMONVQGGF-WOPDTQHZSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000164100542 176901178 /nfs/dbraw/zinc/90/11/78/176901178.db2.gz JGKITHMONVQGGF-GRYCIOLGSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[NH+](CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000166451732 384380636 /nfs/dbraw/zinc/38/06/36/384380636.db2.gz NDDBTBVLQWGTDI-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000169082950 323026193 /nfs/dbraw/zinc/02/61/93/323026193.db2.gz GALRXJGBKVAFMM-UHFFFAOYSA-N 1 0 236.315 3.263 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000171082913 388400869 /nfs/dbraw/zinc/40/08/69/388400869.db2.gz OOAGNMMDXANHIS-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171679614 169169924 /nfs/dbraw/zinc/16/99/24/169169924.db2.gz YUIRAHVMDGKHCG-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171679620 134258667 /nfs/dbraw/zinc/25/86/67/134258667.db2.gz JHBVPBKTXRBCPV-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000171679651 169181055 /nfs/dbraw/zinc/18/10/55/169181055.db2.gz ACUJFWMQPRIKOA-UHFFFAOYSA-N 1 0 240.328 3.031 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C=CCCC1 ZINC000171732184 388405649 /nfs/dbraw/zinc/40/56/49/388405649.db2.gz WWNJKXBBOBVHMC-ZDUSSCGKSA-N 1 0 246.310 3.135 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C=CCCC1 ZINC000171732188 388405502 /nfs/dbraw/zinc/40/55/02/388405502.db2.gz WWNJKXBBOBVHMC-CYBMUJFWSA-N 1 0 246.310 3.135 20 5 BGBDRO CC[C@@H](C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171948362 398329098 /nfs/dbraw/zinc/32/90/98/398329098.db2.gz SONLHCWKSJICDV-SECBINFHSA-N 1 0 242.344 3.134 20 5 BGBDRO CC[C@H](C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000171948364 171274278 /nfs/dbraw/zinc/27/42/78/171274278.db2.gz SONLHCWKSJICDV-VIFPVBQESA-N 1 0 242.344 3.134 20 5 BGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171949049 372838239 /nfs/dbraw/zinc/83/82/39/372838239.db2.gz YVQZEBZQXCFRIQ-LLVKDONJSA-N 1 0 236.315 3.073 20 5 BGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171949052 372837752 /nfs/dbraw/zinc/83/77/52/372837752.db2.gz YVQZEBZQXCFRIQ-NSHDSACASA-N 1 0 236.315 3.073 20 5 BGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171951075 372838337 /nfs/dbraw/zinc/83/83/37/372838337.db2.gz YBMCKHXCJICIBU-LLVKDONJSA-N 1 0 236.315 3.073 20 5 BGBDRO CC[C@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171951079 372837161 /nfs/dbraw/zinc/83/71/61/372837161.db2.gz YBMCKHXCJICIBU-NSHDSACASA-N 1 0 236.315 3.073 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCC1 ZINC000171971630 372840394 /nfs/dbraw/zinc/84/03/94/372840394.db2.gz LMNTVLRJYYLUEM-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCC1 ZINC000171971632 372840442 /nfs/dbraw/zinc/84/04/42/372840442.db2.gz LMNTVLRJYYLUEM-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO CCCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172175341 372896809 /nfs/dbraw/zinc/89/68/09/372896809.db2.gz ICGPXUOZWIKVSS-UHFFFAOYSA-N 1 0 236.315 3.217 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000172856170 134269848 /nfs/dbraw/zinc/26/98/48/134269848.db2.gz KLBQYVMPBQCZSU-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000172856176 134269877 /nfs/dbraw/zinc/26/98/77/134269877.db2.gz KLBQYVMPBQCZSU-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000172858211 134269776 /nfs/dbraw/zinc/26/97/76/134269776.db2.gz BRLPEPOXQFWWGW-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000172858219 134269773 /nfs/dbraw/zinc/26/97/73/134269773.db2.gz BRLPEPOXQFWWGW-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000172863239 134270075 /nfs/dbraw/zinc/27/00/75/134270075.db2.gz ODOIGDHUXFXMEO-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000172863243 134269785 /nfs/dbraw/zinc/26/97/85/134269785.db2.gz ODOIGDHUXFXMEO-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC1 ZINC000173477673 176019307 /nfs/dbraw/zinc/01/93/07/176019307.db2.gz CZZCVBGWBIHLFS-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC1 ZINC000173477685 177037720 /nfs/dbraw/zinc/03/77/20/177037720.db2.gz CZZCVBGWBIHLFS-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174468449 134281843 /nfs/dbraw/zinc/28/18/43/134281843.db2.gz VOBVKLXWJWYNLB-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174468463 388440868 /nfs/dbraw/zinc/44/08/68/388440868.db2.gz VOBVKLXWJWYNLB-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000174468477 388440904 /nfs/dbraw/zinc/44/09/04/388440904.db2.gz VOBVKLXWJWYNLB-VXGBXAGGSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000174468489 388440990 /nfs/dbraw/zinc/44/09/90/388440990.db2.gz VOBVKLXWJWYNLB-NWDGAFQWSA-N 1 0 248.326 3.215 20 5 BGBDRO CCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174835617 169080734 /nfs/dbraw/zinc/08/07/34/169080734.db2.gz GOSZBALTSFMVTH-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175273489 535296339 /nfs/dbraw/zinc/29/63/39/535296339.db2.gz PYRKGRIOSRNVPG-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175273514 535297610 /nfs/dbraw/zinc/29/76/10/535297610.db2.gz PYRKGRIOSRNVPG-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000175281082 134286290 /nfs/dbraw/zinc/28/62/90/134286290.db2.gz UNLFQSIPTSTTAL-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000175281101 134286242 /nfs/dbraw/zinc/28/62/42/134286242.db2.gz UNLFQSIPTSTTAL-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177213468 134296290 /nfs/dbraw/zinc/29/62/90/134296290.db2.gz KMIBGWIRORFUQN-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177213485 346924169 /nfs/dbraw/zinc/92/41/69/346924169.db2.gz KMIBGWIRORFUQN-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000177213595 134296388 /nfs/dbraw/zinc/29/63/88/134296388.db2.gz FXOOKKGOIPWJEA-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000177213612 134296064 /nfs/dbraw/zinc/29/60/64/134296064.db2.gz FXOOKKGOIPWJEA-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177241444 385212230 /nfs/dbraw/zinc/21/22/30/385212230.db2.gz INFBXNONYOKVTO-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177241463 385208428 /nfs/dbraw/zinc/20/84/28/385208428.db2.gz INFBXNONYOKVTO-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]CC2CCC2)cccc1[N+](=O)[O-] ZINC000177775000 177628566 /nfs/dbraw/zinc/62/85/66/177628566.db2.gz MKUYIDFNZXDMIZ-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1c([C@H](C)[NH2+]CC2CCC2)cccc1[N+](=O)[O-] ZINC000177775012 177633531 /nfs/dbraw/zinc/63/35/31/177633531.db2.gz MKUYIDFNZXDMIZ-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177870494 134303919 /nfs/dbraw/zinc/30/39/19/134303919.db2.gz LLJZENXZEWRQSA-UTUOFQBUSA-N 1 0 248.326 3.386 20 5 BGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177887878 134304214 /nfs/dbraw/zinc/30/42/14/134304214.db2.gz DEKQKOLHSLDTSP-JQWIXIFHSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177887892 134304017 /nfs/dbraw/zinc/30/40/17/134304017.db2.gz DEKQKOLHSLDTSP-PWSUYJOCSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178365885 384012277 /nfs/dbraw/zinc/01/22/77/384012277.db2.gz AYRGVSNKXBUXTF-WDEREUQCSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178365892 384012504 /nfs/dbraw/zinc/01/25/04/384012504.db2.gz AYRGVSNKXBUXTF-QWRGUYRKSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178365903 384014171 /nfs/dbraw/zinc/01/41/71/384014171.db2.gz AYRGVSNKXBUXTF-GHMZBOCLSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000178365917 384013503 /nfs/dbraw/zinc/01/35/03/384013503.db2.gz AYRGVSNKXBUXTF-MNOVXSKESA-N 1 0 248.326 3.352 20 5 BGBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179323441 384852442 /nfs/dbraw/zinc/85/24/42/384852442.db2.gz JXKGFLXYGLOSQQ-LLVKDONJSA-N 1 0 236.315 3.134 20 5 BGBDRO CC[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179323449 384851555 /nfs/dbraw/zinc/85/15/55/384851555.db2.gz JXKGFLXYGLOSQQ-NSHDSACASA-N 1 0 236.315 3.134 20 5 BGBDRO CC(C)C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000179429998 256513707 /nfs/dbraw/zinc/51/37/07/256513707.db2.gz FHHLEDQSKVWXAZ-UHFFFAOYSA-N 1 0 236.315 3.076 20 5 BGBDRO Cc1ccc(C[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000179797346 385056599 /nfs/dbraw/zinc/05/65/99/385056599.db2.gz BIGDVTLVBNGRCQ-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000180097269 385473476 /nfs/dbraw/zinc/47/34/76/385473476.db2.gz NPVPFFACUYVBKZ-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000180100602 385478195 /nfs/dbraw/zinc/47/81/95/385478195.db2.gz WLUASFRVOXZNQZ-FNORWQNLSA-N 1 0 246.310 3.092 20 5 BGBDRO CC(C)[NH+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000180445094 384597920 /nfs/dbraw/zinc/59/79/20/384597920.db2.gz LBPDYILCCZYCGF-UHFFFAOYSA-N 1 0 236.315 3.214 20 5 BGBDRO CC(C)=CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180452907 397777377 /nfs/dbraw/zinc/77/73/77/397777377.db2.gz DGMRJMIANZBKIT-NSHDSACASA-N 1 0 234.299 3.212 20 5 BGBDRO CC(C)=CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180452923 397777143 /nfs/dbraw/zinc/77/71/43/397777143.db2.gz DGMRJMIANZBKIT-LLVKDONJSA-N 1 0 234.299 3.212 20 5 BGBDRO CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182098727 169081284 /nfs/dbraw/zinc/08/12/84/169081284.db2.gz MMBYKXZRFSIPGY-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO CC(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182233810 187309318 /nfs/dbraw/zinc/30/93/18/187309318.db2.gz VUDKWFSZQMNGBG-UHFFFAOYSA-N 1 0 242.706 3.088 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCCC1 ZINC000182627949 385688986 /nfs/dbraw/zinc/68/89/86/385688986.db2.gz MRSCPTDHCXBCIF-LLVKDONJSA-N 1 0 234.299 3.060 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCCC1 ZINC000182627974 385873072 /nfs/dbraw/zinc/87/30/72/385873072.db2.gz MRSCPTDHCXBCIF-NSHDSACASA-N 1 0 234.299 3.060 20 5 BGBDRO CC[NH+](CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182632934 535650356 /nfs/dbraw/zinc/65/03/56/535650356.db2.gz UPVBDSCFDMNWOY-NSHDSACASA-N 1 0 236.315 3.306 20 5 BGBDRO CC[NH+](CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182632948 134346375 /nfs/dbraw/zinc/34/63/75/134346375.db2.gz UPVBDSCFDMNWOY-LLVKDONJSA-N 1 0 236.315 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1CC1 ZINC000182663071 385880570 /nfs/dbraw/zinc/88/05/70/385880570.db2.gz DNQJBVRTDYTCAK-LLVKDONJSA-N 1 0 248.326 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1CC1 ZINC000182663089 385880437 /nfs/dbraw/zinc/88/04/37/385880437.db2.gz DNQJBVRTDYTCAK-NSHDSACASA-N 1 0 248.326 3.306 20 5 BGBDRO CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182714208 342892080 /nfs/dbraw/zinc/89/20/80/342892080.db2.gz KMLHRUVSKCRAEX-NSHDSACASA-N 1 0 236.315 3.306 20 5 BGBDRO CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182714228 342891851 /nfs/dbraw/zinc/89/18/51/342891851.db2.gz KMLHRUVSKCRAEX-LLVKDONJSA-N 1 0 236.315 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC000182817676 134345164 /nfs/dbraw/zinc/34/51/64/134345164.db2.gz BNJCNYOJXFHRMW-NWDGAFQWSA-N 1 0 248.326 3.449 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC000182817698 134344813 /nfs/dbraw/zinc/34/48/13/134344813.db2.gz BNJCNYOJXFHRMW-RYUDHWBXSA-N 1 0 248.326 3.449 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCC1 ZINC000183219482 367002574 /nfs/dbraw/zinc/00/25/74/367002574.db2.gz ICBDCPVSHGSVEL-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCCCCC1 ZINC000183225196 367003338 /nfs/dbraw/zinc/00/33/38/367003338.db2.gz JCGDNONXEMFQEC-UHFFFAOYSA-N 1 0 248.326 3.279 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C)C1 ZINC000183225966 386390245 /nfs/dbraw/zinc/39/02/45/386390245.db2.gz WUGVYCIDXFRMQC-NSHDSACASA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000183225988 386386134 /nfs/dbraw/zinc/38/61/34/386386134.db2.gz WUGVYCIDXFRMQC-LLVKDONJSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)CC1 ZINC000183228035 367003874 /nfs/dbraw/zinc/00/38/74/367003874.db2.gz UVFVVBQRCGLDOI-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C ZINC000183228117 367004110 /nfs/dbraw/zinc/00/41/10/367004110.db2.gz WYJAPYZPUMSOSM-LBPRGKRZSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C ZINC000183228138 367003681 /nfs/dbraw/zinc/00/36/81/367003681.db2.gz WYJAPYZPUMSOSM-GFCCVEGCSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCCC1 ZINC000183245309 367004686 /nfs/dbraw/zinc/00/46/86/367004686.db2.gz LZOCTCQXXQGARQ-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183252434 367004756 /nfs/dbraw/zinc/00/47/56/367004756.db2.gz QYUAEMYGSNNTSU-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183267140 367008019 /nfs/dbraw/zinc/00/80/19/367008019.db2.gz SANFHBWZZISQHT-LLVKDONJSA-N 1 0 236.315 3.134 20 5 BGBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183267162 367008453 /nfs/dbraw/zinc/00/84/53/367008453.db2.gz SANFHBWZZISQHT-NSHDSACASA-N 1 0 236.315 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000183272473 178270764 /nfs/dbraw/zinc/27/07/64/178270764.db2.gz XQFWIBGOHSFKMA-NSHDSACASA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000183272490 178271570 /nfs/dbraw/zinc/27/15/70/178271570.db2.gz XQFWIBGOHSFKMA-LLVKDONJSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1CC1 ZINC000183276108 367008813 /nfs/dbraw/zinc/00/88/13/367008813.db2.gz SSNNJKBXWLFWJH-UHFFFAOYSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC1(C)C ZINC000183312096 367014206 /nfs/dbraw/zinc/01/42/06/367014206.db2.gz INUWXBBBBQQEJN-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C)(C)C1 ZINC000183340174 367017352 /nfs/dbraw/zinc/01/73/52/367017352.db2.gz OMBYYEMGAJYYTC-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000183344174 367017141 /nfs/dbraw/zinc/01/71/41/367017141.db2.gz SVMNMJGYODFHCN-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000183391008 347126386 /nfs/dbraw/zinc/12/63/86/347126386.db2.gz DTVAEKZBFQEQFN-JQWIXIFHSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000183391031 367019875 /nfs/dbraw/zinc/01/98/75/367019875.db2.gz DTVAEKZBFQEQFN-PWSUYJOCSA-N 1 0 248.326 3.134 20 5 BGBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183391992 367019502 /nfs/dbraw/zinc/01/95/02/367019502.db2.gz OUOPIQQAXIXACP-GFCCVEGCSA-N 1 0 248.326 3.135 20 5 BGBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183392012 367019946 /nfs/dbraw/zinc/01/99/46/367019946.db2.gz OUOPIQQAXIXACP-LBPRGKRZSA-N 1 0 248.326 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000183392185 367018219 /nfs/dbraw/zinc/01/82/19/367018219.db2.gz UFRGRVAHQZGKTP-TXEJJXNPSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000183392205 367019306 /nfs/dbraw/zinc/01/93/06/367019306.db2.gz UFRGRVAHQZGKTP-RYUDHWBXSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000183392222 367019839 /nfs/dbraw/zinc/01/98/39/367019839.db2.gz UFRGRVAHQZGKTP-VXGBXAGGSA-N 1 0 248.326 3.276 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CC1 ZINC000183396474 367020807 /nfs/dbraw/zinc/02/08/07/367020807.db2.gz QPBUQUYKRNHCRF-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183456461 168299734 /nfs/dbraw/zinc/29/97/34/168299734.db2.gz NMFZYXOUEFQWPX-UHFFFAOYSA-N 1 0 236.315 3.181 20 5 BGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000183534841 367028880 /nfs/dbraw/zinc/02/88/80/367028880.db2.gz UJZIJPIUURSTNS-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO CC/C=C/CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184407418 386095392 /nfs/dbraw/zinc/09/53/92/386095392.db2.gz YLUGRYYNOLCHLK-SNAWJCMRSA-N 1 0 248.326 3.383 20 5 BGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184566385 385934072 /nfs/dbraw/zinc/93/40/72/385934072.db2.gz NKERGULSAUKVKM-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000184566403 256846819 /nfs/dbraw/zinc/84/68/19/256846819.db2.gz NKERGULSAUKVKM-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185266383 643282094 /nfs/dbraw/zinc/28/20/94/643282094.db2.gz MQRKYERQMXZLMD-MRVPVSSYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185266403 643281616 /nfs/dbraw/zinc/28/16/16/643281616.db2.gz MQRKYERQMXZLMD-QMMMGPOBSA-N 1 0 242.706 3.136 20 5 BGBDRO CCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185269355 635155727 /nfs/dbraw/zinc/15/57/27/635155727.db2.gz GJVDZWCTCCRMIL-UHFFFAOYSA-N 1 0 242.706 3.138 20 5 BGBDRO CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185316033 643291522 /nfs/dbraw/zinc/29/15/22/643291522.db2.gz ODBVYJBTTGZXFM-UHFFFAOYSA-N 1 0 242.706 3.136 20 5 BGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000185592900 536180623 /nfs/dbraw/zinc/18/06/23/536180623.db2.gz HZMQPRGFTBMSOV-AAEUAGOBSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185600360 134382456 /nfs/dbraw/zinc/38/24/56/134382456.db2.gz NZHHPUBUMQFCBP-BXUZGUMPSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185600383 134382439 /nfs/dbraw/zinc/38/24/39/134382439.db2.gz NZHHPUBUMQFCBP-RISCZKNCSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185600405 134382558 /nfs/dbraw/zinc/38/25/58/134382558.db2.gz NZHHPUBUMQFCBP-SMDDNHRTSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185600420 536180684 /nfs/dbraw/zinc/18/06/84/536180684.db2.gz NZHHPUBUMQFCBP-FZMZJTMJSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000185601619 134387091 /nfs/dbraw/zinc/38/70/91/134387091.db2.gz IQAPPYJELHXYBY-BXUZGUMPSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000185601634 134386766 /nfs/dbraw/zinc/38/67/66/134386766.db2.gz IQAPPYJELHXYBY-RISCZKNCSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000185601652 134386834 /nfs/dbraw/zinc/38/68/34/134386834.db2.gz IQAPPYJELHXYBY-SMDDNHRTSA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000185601668 536180409 /nfs/dbraw/zinc/18/04/09/536180409.db2.gz IQAPPYJELHXYBY-FZMZJTMJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186394341 386820639 /nfs/dbraw/zinc/82/06/39/386820639.db2.gz YXGKWCGVUXXWBF-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@H](CCC1CC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186394357 386820783 /nfs/dbraw/zinc/82/07/83/386820783.db2.gz YXGKWCGVUXXWBF-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000187913971 398338127 /nfs/dbraw/zinc/33/81/27/398338127.db2.gz UBCIPFUXSYNJQA-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187921088 385036350 /nfs/dbraw/zinc/03/63/50/385036350.db2.gz SGOQIVUVZSXXQW-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000187921116 385036644 /nfs/dbraw/zinc/03/66/44/385036644.db2.gz SGOQIVUVZSXXQW-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187922127 387220198 /nfs/dbraw/zinc/22/01/98/387220198.db2.gz SOZUHLOJWYKVKT-GFCCVEGCSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187922156 385073388 /nfs/dbraw/zinc/07/33/88/385073388.db2.gz SOZUHLOJWYKVKT-LBPRGKRZSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189991597 357679662 /nfs/dbraw/zinc/67/96/62/357679662.db2.gz YJTVBFQTDLQAQE-UHFFFAOYSA-N 1 0 242.344 3.182 20 5 BGBDRO CC(C)=CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000190722286 387867426 /nfs/dbraw/zinc/86/74/26/387867426.db2.gz AHGIGTWABCCMNB-NSHDSACASA-N 1 0 234.299 3.212 20 5 BGBDRO CC(C)=CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000190722305 387867362 /nfs/dbraw/zinc/86/73/62/387867362.db2.gz AHGIGTWABCCMNB-LLVKDONJSA-N 1 0 234.299 3.212 20 5 BGBDRO CC(C)=CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191629557 188350894 /nfs/dbraw/zinc/35/08/94/188350894.db2.gz PADHCNPPLYZGRH-FNORWQNLSA-N 1 0 246.310 3.164 20 5 BGBDRO CC(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192591036 323228021 /nfs/dbraw/zinc/22/80/21/323228021.db2.gz WSUAFWBJIFUMJS-CQSZACIVSA-N 1 0 248.326 3.218 20 5 BGBDRO CC(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192591054 323227829 /nfs/dbraw/zinc/22/78/29/323227829.db2.gz WSUAFWBJIFUMJS-AWEZNQCLSA-N 1 0 248.326 3.218 20 5 BGBDRO CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192591239 323227990 /nfs/dbraw/zinc/22/79/90/323227990.db2.gz MYMYEQNCSGCWCM-CQSZACIVSA-N 1 0 248.326 3.362 20 5 BGBDRO CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192591253 323228004 /nfs/dbraw/zinc/22/80/04/323228004.db2.gz MYMYEQNCSGCWCM-AWEZNQCLSA-N 1 0 248.326 3.362 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593614 356219744 /nfs/dbraw/zinc/21/97/44/356219744.db2.gz FJRFSPVBAOZZOY-QMTHXVAHSA-N 1 0 248.326 3.360 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593632 356219447 /nfs/dbraw/zinc/21/94/47/356219447.db2.gz FJRFSPVBAOZZOY-IINYFYTJSA-N 1 0 248.326 3.360 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593650 387204259 /nfs/dbraw/zinc/20/42/59/387204259.db2.gz FJRFSPVBAOZZOY-YGRLFVJLSA-N 1 0 248.326 3.360 20 5 BGBDRO CC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593663 356219228 /nfs/dbraw/zinc/21/92/28/356219228.db2.gz FJRFSPVBAOZZOY-HZMBPMFUSA-N 1 0 248.326 3.360 20 5 BGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000194005189 367241757 /nfs/dbraw/zinc/24/17/57/367241757.db2.gz MYFGPCOGWYSBGP-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000194096944 388477734 /nfs/dbraw/zinc/47/77/34/388477734.db2.gz FFBJWZKTMQACAV-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000194201155 367262769 /nfs/dbraw/zinc/26/27/69/367262769.db2.gz DQACUVRFLBFUHG-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)C ZINC000212263684 387209453 /nfs/dbraw/zinc/20/94/53/387209453.db2.gz GSOCYOBBMJNHOC-GHXNOFRVSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000219198144 134274558 /nfs/dbraw/zinc/27/45/58/134274558.db2.gz RDRGNLQUMPXULT-PWSUYJOCSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000219198198 350116937 /nfs/dbraw/zinc/11/69/37/350116937.db2.gz RDRGNLQUMPXULT-JQWIXIFHSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000219198262 134274744 /nfs/dbraw/zinc/27/47/44/134274744.db2.gz RDRGNLQUMPXULT-ZYHUDNBSSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000219198334 134274599 /nfs/dbraw/zinc/27/45/99/134274599.db2.gz RDRGNLQUMPXULT-CMPLNLGQSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000221392002 582843935 /nfs/dbraw/zinc/84/39/35/582843935.db2.gz TXJANHYTOAXKNW-DMDPSCGWSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000221392066 592419378 /nfs/dbraw/zinc/41/93/78/592419378.db2.gz TXJANHYTOAXKNW-LOWVWBTDSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000222051758 134329281 /nfs/dbraw/zinc/32/92/81/134329281.db2.gz DYOAAQOCOIVTRF-PWSUYJOCSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000222051803 134329483 /nfs/dbraw/zinc/32/94/83/134329483.db2.gz DYOAAQOCOIVTRF-JQWIXIFHSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000222051860 134329114 /nfs/dbraw/zinc/32/91/14/134329114.db2.gz DYOAAQOCOIVTRF-ZYHUDNBSSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000222051925 134329460 /nfs/dbraw/zinc/32/94/60/134329460.db2.gz DYOAAQOCOIVTRF-CMPLNLGQSA-N 1 0 248.326 3.292 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000222174523 134329927 /nfs/dbraw/zinc/32/99/27/134329927.db2.gz FFBAMVLXWPIXNF-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000222174572 134330219 /nfs/dbraw/zinc/33/02/19/134330219.db2.gz FFBAMVLXWPIXNF-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO C[C@@H]([NH2+]CC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222177943 134330015 /nfs/dbraw/zinc/33/00/15/134330015.db2.gz HRHAKPOSRRYEFN-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@H]([NH2+]CC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222177996 134329990 /nfs/dbraw/zinc/32/99/90/134329990.db2.gz HRHAKPOSRRYEFN-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222195295 535803049 /nfs/dbraw/zinc/80/30/49/535803049.db2.gz ZXKQYQGOYZJDCR-CYBMUJFWSA-N 1 0 248.326 3.436 20 5 BGBDRO CC[C@H]([NH2+]CC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000222195355 134330356 /nfs/dbraw/zinc/33/03/56/134330356.db2.gz ZXKQYQGOYZJDCR-ZDUSSCGKSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000223830436 176213846 /nfs/dbraw/zinc/21/38/46/176213846.db2.gz JGKITHMONVQGGF-IJLUTSLNSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000223830498 176234043 /nfs/dbraw/zinc/23/40/43/176234043.db2.gz JGKITHMONVQGGF-UTUOFQBUSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)=CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000224009731 387544038 /nfs/dbraw/zinc/54/40/38/387544038.db2.gz AQTMCGUAQPCBGY-NSHDSACASA-N 1 0 234.299 3.212 20 5 BGBDRO CC(C)=CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000224009782 387544665 /nfs/dbraw/zinc/54/46/65/387544665.db2.gz AQTMCGUAQPCBGY-LLVKDONJSA-N 1 0 234.299 3.212 20 5 BGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000226253911 134362200 /nfs/dbraw/zinc/36/22/00/134362200.db2.gz HIPHMNOTECXTBD-LBPRGKRZSA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000226253923 134362201 /nfs/dbraw/zinc/36/22/01/134362201.db2.gz HIPHMNOTECXTBD-GFCCVEGCSA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1c(C[NH2+]C(C)(C)C2CC2)cccc1[N+](=O)[O-] ZINC000226670885 644150390 /nfs/dbraw/zinc/15/03/90/644150390.db2.gz VQQKFQNJHLLLQS-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000226761206 134370893 /nfs/dbraw/zinc/37/08/93/134370893.db2.gz BWYZZDAOHLACIG-SNVBAGLBSA-N 1 0 234.299 3.046 20 5 BGBDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000226761212 344707332 /nfs/dbraw/zinc/70/73/32/344707332.db2.gz BWYZZDAOHLACIG-JTQLQIEISA-N 1 0 234.299 3.046 20 5 BGBDRO CCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000226784925 134368810 /nfs/dbraw/zinc/36/88/10/134368810.db2.gz RXZQCGXZPOZEDD-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO Cc1ccc(C[NH2+]CC2(C)CCC2)cc1[N+](=O)[O-] ZINC000226787550 385056899 /nfs/dbraw/zinc/05/68/99/385056899.db2.gz JHDKIAGXHDSJHG-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000227198389 134375225 /nfs/dbraw/zinc/37/52/25/134375225.db2.gz FETQKDFKKGQOSL-NQBHXWOUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000227198396 134375302 /nfs/dbraw/zinc/37/53/02/134375302.db2.gz FETQKDFKKGQOSL-WZRBSPASSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000227762693 535295540 /nfs/dbraw/zinc/29/55/40/535295540.db2.gz KJSNPEDGBWUPSI-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000227763234 134392862 /nfs/dbraw/zinc/39/28/62/134392862.db2.gz ZZWKXJSXTOPING-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000227763408 535295171 /nfs/dbraw/zinc/29/51/71/535295171.db2.gz GHQBMWVGARSJEO-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC(C)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000227832180 346661345 /nfs/dbraw/zinc/66/13/45/346661345.db2.gz VCZIDRGAMFUDTA-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO CC(C)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000227833147 134390370 /nfs/dbraw/zinc/39/03/70/134390370.db2.gz UNHYFHHHJJJNFF-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO CC(C)C1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000227833367 134390309 /nfs/dbraw/zinc/39/03/09/134390309.db2.gz INYZJYGWWUVNOD-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000228589987 372052660 /nfs/dbraw/zinc/05/26/60/372052660.db2.gz TUICPWDGZLEOIY-LLVKDONJSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H](C)C2CCC2)cccc1[N+](=O)[O-] ZINC000228589992 134415942 /nfs/dbraw/zinc/41/59/42/134415942.db2.gz TUICPWDGZLEOIY-NSHDSACASA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000228911596 134431565 /nfs/dbraw/zinc/43/15/65/134431565.db2.gz RHFPMXBLTACULJ-NQBHXWOUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000228911611 134431015 /nfs/dbraw/zinc/43/10/15/134431015.db2.gz RHFPMXBLTACULJ-WZRBSPASSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000229488549 372156720 /nfs/dbraw/zinc/15/67/20/372156720.db2.gz QPGPAYXLNAKMPK-UHFFFAOYSA-N 1 0 248.326 3.060 20 5 BGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230401486 344597610 /nfs/dbraw/zinc/59/76/10/344597610.db2.gz SFFLBSIENGIICM-DGCLKSJQSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230401488 344597521 /nfs/dbraw/zinc/59/75/21/344597521.db2.gz SFFLBSIENGIICM-WCQYABFASA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230401491 344598232 /nfs/dbraw/zinc/59/82/32/344598232.db2.gz SFFLBSIENGIICM-YPMHNXCESA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000230401493 344598156 /nfs/dbraw/zinc/59/81/56/344598156.db2.gz SFFLBSIENGIICM-AAEUAGOBSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230410054 344645103 /nfs/dbraw/zinc/64/51/03/344645103.db2.gz IJKIUQXMPSFDAQ-DGCLKSJQSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230410058 518184315 /nfs/dbraw/zinc/18/43/15/518184315.db2.gz IJKIUQXMPSFDAQ-WCQYABFASA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230410061 344645058 /nfs/dbraw/zinc/64/50/58/344645058.db2.gz IJKIUQXMPSFDAQ-YPMHNXCESA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000230410065 344645145 /nfs/dbraw/zinc/64/51/45/344645145.db2.gz IJKIUQXMPSFDAQ-AAEUAGOBSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000230412315 344644553 /nfs/dbraw/zinc/64/45/53/344644553.db2.gz RYDRPWMUPBUXJJ-VXGBXAGGSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000230412319 344644555 /nfs/dbraw/zinc/64/45/55/344644555.db2.gz RYDRPWMUPBUXJJ-NWDGAFQWSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000230412321 344644527 /nfs/dbraw/zinc/64/45/27/344644527.db2.gz RYDRPWMUPBUXJJ-NEPJUHHUSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000230412324 344644551 /nfs/dbraw/zinc/64/45/51/344644551.db2.gz RYDRPWMUPBUXJJ-RYUDHWBXSA-N 1 0 248.326 3.121 20 5 BGBDRO CCC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230643040 371943172 /nfs/dbraw/zinc/94/31/72/371943172.db2.gz OISUYVUBAVMBDF-UHFFFAOYSA-N 1 0 236.315 3.121 20 5 BGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230649229 371943988 /nfs/dbraw/zinc/94/39/88/371943988.db2.gz JNPNYZUKSVSISH-DGCLKSJQSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230649233 371943863 /nfs/dbraw/zinc/94/38/63/371943863.db2.gz JNPNYZUKSVSISH-WCQYABFASA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230649238 371945804 /nfs/dbraw/zinc/94/58/04/371945804.db2.gz JNPNYZUKSVSISH-YPMHNXCESA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000230649244 371945745 /nfs/dbraw/zinc/94/57/45/371945745.db2.gz JNPNYZUKSVSISH-AAEUAGOBSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230661777 346686607 /nfs/dbraw/zinc/68/66/07/346686607.db2.gz DLIKNEKHUXOWNL-DGCLKSJQSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230661781 134519305 /nfs/dbraw/zinc/51/93/05/134519305.db2.gz DLIKNEKHUXOWNL-WCQYABFASA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230661785 346686740 /nfs/dbraw/zinc/68/67/40/346686740.db2.gz DLIKNEKHUXOWNL-YPMHNXCESA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000230661791 134519883 /nfs/dbraw/zinc/51/98/83/134519883.db2.gz DLIKNEKHUXOWNL-AAEUAGOBSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230663687 346689204 /nfs/dbraw/zinc/68/92/04/346689204.db2.gz VDGFIRWBKNNMDC-VXGBXAGGSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230663691 346689198 /nfs/dbraw/zinc/68/91/98/346689198.db2.gz VDGFIRWBKNNMDC-NWDGAFQWSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230663694 346689063 /nfs/dbraw/zinc/68/90/63/346689063.db2.gz VDGFIRWBKNNMDC-NEPJUHHUSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000230663698 346690768 /nfs/dbraw/zinc/69/07/68/346690768.db2.gz VDGFIRWBKNNMDC-RYUDHWBXSA-N 1 0 248.326 3.121 20 5 BGBDRO Cc1ccc(C[NH2+]C(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000230673872 323398281 /nfs/dbraw/zinc/39/82/81/323398281.db2.gz UIVTVQUYONEJJR-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000231883958 351433551 /nfs/dbraw/zinc/43/35/51/351433551.db2.gz PLZNJGOKFGMARF-NSHDSACASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000231883961 134544852 /nfs/dbraw/zinc/54/48/52/134544852.db2.gz PLZNJGOKFGMARF-LLVKDONJSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000231884178 259653606 /nfs/dbraw/zinc/65/36/06/259653606.db2.gz MYENTWFAYVWGCK-CYBMUJFWSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000231884180 388843837 /nfs/dbraw/zinc/84/38/37/388843837.db2.gz MYENTWFAYVWGCK-ZDUSSCGKSA-N 1 0 248.326 3.181 20 5 BGBDRO CC(C)C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000232538048 386113716 /nfs/dbraw/zinc/11/37/16/386113716.db2.gz FVBSKNNRCVQQLQ-UHFFFAOYSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000232538165 386112347 /nfs/dbraw/zinc/11/23/47/386112347.db2.gz MWQWMZMARDXMBB-UHFFFAOYSA-N 1 0 248.326 3.119 20 5 BGBDRO Cc1c(C[NH2+]CC2(C)CCC2)cccc1[N+](=O)[O-] ZINC000235813796 134817592 /nfs/dbraw/zinc/81/75/92/134817592.db2.gz KGZABJRGGNIOMV-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO CCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000236857855 168297261 /nfs/dbraw/zinc/29/72/61/168297261.db2.gz KDTRLUWRWKHWAY-VQHVLOKHSA-N 1 0 248.326 3.386 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]1C ZINC000245514305 388421615 /nfs/dbraw/zinc/42/16/15/388421615.db2.gz BNJCNYOJXFHRMW-NEPJUHHUSA-N 1 0 248.326 3.449 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC000245514306 388421553 /nfs/dbraw/zinc/42/15/53/388421553.db2.gz BNJCNYOJXFHRMW-VXGBXAGGSA-N 1 0 248.326 3.449 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245720326 388430101 /nfs/dbraw/zinc/43/01/01/388430101.db2.gz DGLRKORXCIKUEL-CMPLNLGQSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245720332 388430047 /nfs/dbraw/zinc/43/00/47/388430047.db2.gz DGLRKORXCIKUEL-ZYHUDNBSSA-N 1 0 248.326 3.134 20 5 BGBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000245917876 388434612 /nfs/dbraw/zinc/43/46/12/388434612.db2.gz NLOGFKULLNUJLK-NWDGAFQWSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000245917881 388434894 /nfs/dbraw/zinc/43/48/94/388434894.db2.gz NLOGFKULLNUJLK-VXGBXAGGSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245926781 388434925 /nfs/dbraw/zinc/43/49/25/388434925.db2.gz ORQSAFJAZNELOS-NWDGAFQWSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245926783 388435060 /nfs/dbraw/zinc/43/50/60/388435060.db2.gz ORQSAFJAZNELOS-VXGBXAGGSA-N 1 0 248.326 3.073 20 5 BGBDRO CC[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246151602 388439509 /nfs/dbraw/zinc/43/95/09/388439509.db2.gz CDTDQXQZJSNDIB-NEPJUHHUSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246151608 388439554 /nfs/dbraw/zinc/43/95/54/388439554.db2.gz CDTDQXQZJSNDIB-VXGBXAGGSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000246518726 374271260 /nfs/dbraw/zinc/27/12/60/374271260.db2.gz BRLPEPOXQFWWGW-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000246518733 374272271 /nfs/dbraw/zinc/27/22/71/374272271.db2.gz BRLPEPOXQFWWGW-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000246695704 374287674 /nfs/dbraw/zinc/28/76/74/374287674.db2.gz KLBQYVMPBQCZSU-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000246695716 374287644 /nfs/dbraw/zinc/28/76/44/374287644.db2.gz KLBQYVMPBQCZSU-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246770121 374297034 /nfs/dbraw/zinc/29/70/34/374297034.db2.gz ODOIGDHUXFXMEO-NEPJUHHUSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246770138 374297151 /nfs/dbraw/zinc/29/71/51/374297151.db2.gz ODOIGDHUXFXMEO-RYUDHWBXSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1C ZINC000247686629 176110834 /nfs/dbraw/zinc/11/08/34/176110834.db2.gz VDTSHAIHILZINW-GHMZBOCLSA-N 1 0 234.299 3.140 20 5 BGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248329419 345108526 /nfs/dbraw/zinc/10/85/26/345108526.db2.gz DEKQKOLHSLDTSP-CMPLNLGQSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248329420 345108570 /nfs/dbraw/zinc/10/85/70/345108570.db2.gz DEKQKOLHSLDTSP-ZYHUDNBSSA-N 1 0 248.326 3.134 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344332 384788668 /nfs/dbraw/zinc/78/86/68/384788668.db2.gz LLJZENXZEWRQSA-GRYCIOLGSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248344333 384786127 /nfs/dbraw/zinc/78/61/27/384786127.db2.gz LLJZENXZEWRQSA-IJLUTSLNSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248344334 345113961 /nfs/dbraw/zinc/11/39/61/345113961.db2.gz LLJZENXZEWRQSA-WOPDTQHZSA-N 1 0 248.326 3.386 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000248577364 387036124 /nfs/dbraw/zinc/03/61/24/387036124.db2.gz DTVAEKZBFQEQFN-CMPLNLGQSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248577367 387036320 /nfs/dbraw/zinc/03/63/20/387036320.db2.gz DTVAEKZBFQEQFN-ZYHUDNBSSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000252714753 388573543 /nfs/dbraw/zinc/57/35/43/388573543.db2.gz SVWPLFYHCHBGOF-MDZLAQPJSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000252714754 388573496 /nfs/dbraw/zinc/57/34/96/388573496.db2.gz SVWPLFYHCHBGOF-NTZNESFSSA-N 1 0 248.326 3.210 20 5 BGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000252714995 135101166 /nfs/dbraw/zinc/10/11/66/135101166.db2.gz UGRAQTMMRCRYQV-OSMZGAPFSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000252714996 135101665 /nfs/dbraw/zinc/10/16/65/135101665.db2.gz UGRAQTMMRCRYQV-QKCSRTOESA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000252799459 135110562 /nfs/dbraw/zinc/11/05/62/135110562.db2.gz XIBAXOURGSZJKO-NWDGAFQWSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000252799460 135111215 /nfs/dbraw/zinc/11/12/15/135111215.db2.gz XIBAXOURGSZJKO-VXGBXAGGSA-N 1 0 248.326 3.073 20 5 BGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000253606071 388618540 /nfs/dbraw/zinc/61/85/40/388618540.db2.gz SYNSPAUOBYGAII-CYBMUJFWSA-N 1 0 248.326 3.359 20 5 BGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000253606072 388618421 /nfs/dbraw/zinc/61/84/21/388618421.db2.gz SYNSPAUOBYGAII-ZDUSSCGKSA-N 1 0 248.326 3.359 20 5 BGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255201723 388676572 /nfs/dbraw/zinc/67/65/72/388676572.db2.gz WLUASFRVOXZNQZ-ALCCZGGFSA-N 1 0 246.310 3.092 20 5 BGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000255390180 135129214 /nfs/dbraw/zinc/12/92/14/135129214.db2.gz BOQFJNHKWZLANQ-ALCCZGGFSA-N 1 0 246.310 3.092 20 5 BGBDRO CC[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255550178 384815370 /nfs/dbraw/zinc/81/53/70/384815370.db2.gz LXAPSXKFWOQQTK-UPZNUWHASA-N 1 0 248.326 3.338 20 5 BGBDRO CC[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255550182 384814594 /nfs/dbraw/zinc/81/45/94/384814594.db2.gz LXAPSXKFWOQQTK-ZVTBTPLYSA-N 1 0 248.326 3.338 20 5 BGBDRO C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255573360 135130091 /nfs/dbraw/zinc/13/00/91/135130091.db2.gz LMNUYRXQVPTYCD-JECSTDCCSA-N 1 0 246.310 3.092 20 5 BGBDRO C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255573361 135129811 /nfs/dbraw/zinc/12/98/11/135129811.db2.gz LMNUYRXQVPTYCD-VVEJJEBESA-N 1 0 246.310 3.092 20 5 BGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000255635567 135097034 /nfs/dbraw/zinc/09/70/34/135097034.db2.gz AXVYLFQAHVGLMH-CLFYSBASSA-N 1 0 248.326 3.338 20 5 BGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)C ZINC000263800282 385145419 /nfs/dbraw/zinc/14/54/19/385145419.db2.gz QEBRWMAPOUGFHN-UHFFFAOYSA-N 1 0 242.344 3.134 20 5 BGBDRO CCC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000265183138 168287261 /nfs/dbraw/zinc/28/72/61/168287261.db2.gz HFKZTQMSVQMONM-UHFFFAOYSA-N 1 0 236.315 3.215 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000266560166 177042595 /nfs/dbraw/zinc/04/25/95/177042595.db2.gz XGDKNUSUAGVUSD-LLVKDONJSA-N 1 0 234.299 3.142 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000266560167 176026252 /nfs/dbraw/zinc/02/62/52/176026252.db2.gz XGDKNUSUAGVUSD-NSHDSACASA-N 1 0 234.299 3.142 20 5 BGBDRO CC[NH+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266931954 386737630 /nfs/dbraw/zinc/73/76/30/386737630.db2.gz TXJVIAXSLWDKDC-UHFFFAOYSA-N 1 0 242.706 3.090 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C ZINC000267725391 176110088 /nfs/dbraw/zinc/11/00/88/176110088.db2.gz ZHMGDQBRTOCURH-GHMZBOCLSA-N 1 0 234.299 3.140 20 5 BGBDRO CC(C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000268419861 188023507 /nfs/dbraw/zinc/02/35/07/188023507.db2.gz AQECJMFYHVJSDA-UHFFFAOYSA-N 1 0 242.706 3.088 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268839340 387490704 /nfs/dbraw/zinc/49/07/04/387490704.db2.gz ZFKWHESPHZFZDW-ADEWGFFLSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268839343 177633937 /nfs/dbraw/zinc/63/39/37/177633937.db2.gz ZFKWHESPHZFZDW-DLOVCJGASA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268839346 177632993 /nfs/dbraw/zinc/63/29/93/177632993.db2.gz ZFKWHESPHZFZDW-USWWRNFRSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268839348 177633864 /nfs/dbraw/zinc/63/38/64/177633864.db2.gz ZFKWHESPHZFZDW-ZMLRMANQSA-N 1 0 248.326 3.210 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC1 ZINC000269725237 177043034 /nfs/dbraw/zinc/04/30/34/177043034.db2.gz VPZUSBAPTVSPOU-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC1 ZINC000269725242 176026500 /nfs/dbraw/zinc/02/65/00/176026500.db2.gz VPZUSBAPTVSPOU-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO CC1=CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270117790 168117262 /nfs/dbraw/zinc/11/72/62/168117262.db2.gz FCFJVUXUDKVTOI-GFCCVEGCSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270117793 168117251 /nfs/dbraw/zinc/11/72/51/168117251.db2.gz FCFJVUXUDKVTOI-LBPRGKRZSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270387266 168117352 /nfs/dbraw/zinc/11/73/52/168117352.db2.gz XGRTVLNQIGEWTH-GFCCVEGCSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270387268 168118013 /nfs/dbraw/zinc/11/80/13/168118013.db2.gz XGRTVLNQIGEWTH-LBPRGKRZSA-N 1 0 246.310 3.308 20 5 BGBDRO CC[N@H+](CC1CC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270709784 388365621 /nfs/dbraw/zinc/36/56/21/388365621.db2.gz HSMQRSSIUJMOIO-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[N@H+](CC1CC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270709786 388365885 /nfs/dbraw/zinc/36/58/85/388365885.db2.gz HSMQRSSIUJMOIO-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000271453903 388389786 /nfs/dbraw/zinc/38/97/86/388389786.db2.gz ISOHHTXZENFSIE-LLVKDONJSA-N 1 0 248.326 3.058 20 5 BGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC1 ZINC000271453906 175686388 /nfs/dbraw/zinc/68/63/88/175686388.db2.gz ISOHHTXZENFSIE-NSHDSACASA-N 1 0 248.326 3.058 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]C2CC(C)C2)cccc1[N+](=O)[O-] ZINC000271455377 385830788 /nfs/dbraw/zinc/83/07/88/385830788.db2.gz GSLVBTXEABMPRX-CKBZRRDASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C2CC(C)C2)cccc1[N+](=O)[O-] ZINC000271455380 388389802 /nfs/dbraw/zinc/38/98/02/388389802.db2.gz GSLVBTXEABMPRX-ZYXZCXLHSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+]C2CCC2)cccc1[N+](=O)[O-] ZINC000271520747 388391756 /nfs/dbraw/zinc/39/17/56/388391756.db2.gz USFGWUIFIVZJAB-JTQLQIEISA-N 1 0 234.299 3.106 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]C2CCC2)cccc1[N+](=O)[O-] ZINC000271520749 388391763 /nfs/dbraw/zinc/39/17/63/388391763.db2.gz USFGWUIFIVZJAB-SNVBAGLBSA-N 1 0 234.299 3.106 20 5 BGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271845971 388408596 /nfs/dbraw/zinc/40/85/96/388408596.db2.gz WSHXEOQXEXCAKD-GWCFXTLKSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271845973 363041727 /nfs/dbraw/zinc/04/17/27/363041727.db2.gz WSHXEOQXEXCAKD-GXFFZTMASA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271845975 388408623 /nfs/dbraw/zinc/40/86/23/388408623.db2.gz WSHXEOQXEXCAKD-MFKMUULPSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271845977 363041615 /nfs/dbraw/zinc/04/16/15/363041615.db2.gz WSHXEOQXEXCAKD-ZWNOBZJWSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000276578366 398313796 /nfs/dbraw/zinc/31/37/96/398313796.db2.gz APOWEFRGMHWQHC-UHFFFAOYSA-N 1 0 234.299 3.041 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000276602454 188265653 /nfs/dbraw/zinc/26/56/53/188265653.db2.gz GVWSDYDFBOGPIR-UHFFFAOYSA-N 1 0 234.299 3.041 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000276660824 188266571 /nfs/dbraw/zinc/26/65/71/188266571.db2.gz WHFMGRMLVOQWTA-UHFFFAOYSA-N 1 0 234.299 3.041 20 5 BGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC1)CCC2 ZINC000278799740 388763149 /nfs/dbraw/zinc/76/31/49/388763149.db2.gz RBPVLTOEPWMVGU-AWEZNQCLSA-N 1 0 246.310 3.114 20 5 BGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC1)CCC2 ZINC000278799742 388757395 /nfs/dbraw/zinc/75/73/95/388757395.db2.gz RBPVLTOEPWMVGU-CQSZACIVSA-N 1 0 246.310 3.114 20 5 BGBDRO CC1(C)C[C@@H]([NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048103 371256739 /nfs/dbraw/zinc/25/67/39/371256739.db2.gz JYHVUXNBXUKVFH-CYBMUJFWSA-N 1 0 246.310 3.069 20 5 BGBDRO CC1(C)C[C@H]([NH2+]C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279048106 371256462 /nfs/dbraw/zinc/25/64/62/371256462.db2.gz JYHVUXNBXUKVFH-ZDUSSCGKSA-N 1 0 246.310 3.069 20 5 BGBDRO CC1=CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280819118 168100400 /nfs/dbraw/zinc/10/04/00/168100400.db2.gz NCZUJEWBRRRGJE-GFCCVEGCSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280819120 168099839 /nfs/dbraw/zinc/09/98/39/168099839.db2.gz NCZUJEWBRRRGJE-LBPRGKRZSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000280894375 168099170 /nfs/dbraw/zinc/09/91/70/168099170.db2.gz QLQFBUSSQPRZHS-GFCCVEGCSA-N 1 0 246.310 3.308 20 5 BGBDRO CC1=CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000280894377 168099150 /nfs/dbraw/zinc/09/91/50/168099150.db2.gz QLQFBUSSQPRZHS-LBPRGKRZSA-N 1 0 246.310 3.308 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000282197177 398316760 /nfs/dbraw/zinc/31/67/60/398316760.db2.gz NSTVZOHUDDOUAE-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000282197179 398316751 /nfs/dbraw/zinc/31/67/51/398316751.db2.gz NSTVZOHUDDOUAE-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000282429805 388816613 /nfs/dbraw/zinc/81/66/13/388816613.db2.gz YYUBUCCFZKWMTM-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC12CCC2 ZINC000282429807 388815617 /nfs/dbraw/zinc/81/56/17/388815617.db2.gz YYUBUCCFZKWMTM-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000282513007 388817704 /nfs/dbraw/zinc/81/77/04/388817704.db2.gz SGUKSLIRVTXVCK-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000284461655 388828321 /nfs/dbraw/zinc/82/83/21/388828321.db2.gz TXKVUYHUJSVQCB-GWCFXTLKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000284461657 388827836 /nfs/dbraw/zinc/82/78/36/388827836.db2.gz TXKVUYHUJSVQCB-GXFFZTMASA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000284461658 175923865 /nfs/dbraw/zinc/92/38/65/175923865.db2.gz TXKVUYHUJSVQCB-MFKMUULPSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000284461660 388827416 /nfs/dbraw/zinc/82/74/16/388827416.db2.gz TXKVUYHUJSVQCB-ZWNOBZJWSA-N 1 0 248.326 3.434 20 5 BGBDRO CC1=CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000284952851 168118636 /nfs/dbraw/zinc/11/86/36/168118636.db2.gz FGBQGSSIGCEOBD-CYBMUJFWSA-N 1 0 246.310 3.183 20 5 BGBDRO CC1=CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000284952853 168120178 /nfs/dbraw/zinc/12/01/78/168120178.db2.gz FGBQGSSIGCEOBD-ZDUSSCGKSA-N 1 0 246.310 3.183 20 5 BGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000285262446 384427004 /nfs/dbraw/zinc/42/70/04/384427004.db2.gz IAINUUGEOZBVNW-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO CC(C)=CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285455164 384488895 /nfs/dbraw/zinc/48/88/95/384488895.db2.gz YWLQZGHHXMMTTN-UHFFFAOYSA-N 1 0 248.326 3.035 20 5 BGBDRO CC(C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291683371 167001830 /nfs/dbraw/zinc/00/18/30/167001830.db2.gz HXOVIWXJYTXVKX-UHFFFAOYSA-N 1 0 236.315 3.076 20 5 BGBDRO CC(C)([NH2+]CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000292129962 188390638 /nfs/dbraw/zinc/39/06/38/188390638.db2.gz LDWFLFIDTNAIGW-UHFFFAOYSA-N 1 0 248.326 3.220 20 5 BGBDRO CCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292227783 385622410 /nfs/dbraw/zinc/62/24/10/385622410.db2.gz VLMFDPSKSRBRFP-UHFFFAOYSA-N 1 0 236.315 3.220 20 5 BGBDRO CC[C@H]1CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292749638 385721226 /nfs/dbraw/zinc/72/12/26/385721226.db2.gz IGSVKZPJFKGEFX-IYNGYCSASA-N 1 0 246.310 3.092 20 5 BGBDRO CC[C@@H]1CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292749642 171023043 /nfs/dbraw/zinc/02/30/43/171023043.db2.gz IGSVKZPJFKGEFX-VUDGCMKMSA-N 1 0 246.310 3.092 20 5 BGBDRO CC(C)C1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293008102 385733229 /nfs/dbraw/zinc/73/32/29/385733229.db2.gz NQPMNURPTJDUAB-LLVKDONJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)C1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293008106 385733731 /nfs/dbraw/zinc/73/37/31/385733731.db2.gz NQPMNURPTJDUAB-NSHDSACASA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc(C[NH2+]C2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000293030012 385735838 /nfs/dbraw/zinc/73/58/38/385735838.db2.gz PTQKASJIIWRTLB-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO CC(C)C1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000293031686 385735611 /nfs/dbraw/zinc/73/56/11/385735611.db2.gz PWCORGRMJIYDEW-LLVKDONJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)C1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000293031690 385735770 /nfs/dbraw/zinc/73/57/70/385735770.db2.gz PWCORGRMJIYDEW-NSHDSACASA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1c(C[NH2+]C2(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000293043614 385735587 /nfs/dbraw/zinc/73/55/87/385735587.db2.gz QXPVQGUITHLUKT-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO CC1=CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000293716112 168119975 /nfs/dbraw/zinc/11/99/75/168119975.db2.gz VEMVPTLHPCWQQF-CYBMUJFWSA-N 1 0 246.310 3.183 20 5 BGBDRO CC1=CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000293716116 168120572 /nfs/dbraw/zinc/12/05/72/168120572.db2.gz VEMVPTLHPCWQQF-ZDUSSCGKSA-N 1 0 246.310 3.183 20 5 BGBDRO CCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000294839012 168494098 /nfs/dbraw/zinc/49/40/98/168494098.db2.gz QVKVDUQIQQDEGE-FNORWQNLSA-N 1 0 246.310 3.140 20 5 BGBDRO CC/C=C/C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296380317 387954551 /nfs/dbraw/zinc/95/45/51/387954551.db2.gz JNQRZLGYKKVSSO-SGUJLRQBSA-N 1 0 234.299 3.212 20 5 BGBDRO CC/C=C/C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296380321 387953805 /nfs/dbraw/zinc/95/38/05/387953805.db2.gz JNQRZLGYKKVSSO-ZWNMCFTASA-N 1 0 234.299 3.212 20 5 BGBDRO CCC1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000296415530 387970291 /nfs/dbraw/zinc/97/02/91/387970291.db2.gz LBUOQUDWEBVHNT-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO CCC1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000296415533 387970147 /nfs/dbraw/zinc/97/01/47/387970147.db2.gz LBUOQUDWEBVHNT-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO CCC1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296440568 384141007 /nfs/dbraw/zinc/14/10/07/384141007.db2.gz MGIRXVAWZNDVAI-JTQLQIEISA-N 1 0 234.299 3.188 20 5 BGBDRO CCC1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296440575 384141163 /nfs/dbraw/zinc/14/11/63/384141163.db2.gz MGIRXVAWZNDVAI-SNVBAGLBSA-N 1 0 234.299 3.188 20 5 BGBDRO CCC1([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296557123 388009520 /nfs/dbraw/zinc/00/95/20/388009520.db2.gz RYPNSNCLMIBJNO-JTQLQIEISA-N 1 0 234.299 3.188 20 5 BGBDRO CCC1([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296557129 388009344 /nfs/dbraw/zinc/00/93/44/388009344.db2.gz RYPNSNCLMIBJNO-SNVBAGLBSA-N 1 0 234.299 3.188 20 5 BGBDRO CC/C=C/C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296587631 388019254 /nfs/dbraw/zinc/01/92/54/388019254.db2.gz UTRSVQHGENTBKI-SGUJLRQBSA-N 1 0 234.299 3.212 20 5 BGBDRO CC/C=C/C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296587632 388018086 /nfs/dbraw/zinc/01/80/86/388018086.db2.gz UTRSVQHGENTBKI-ZWNMCFTASA-N 1 0 234.299 3.212 20 5 BGBDRO CCC1([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000296652832 387078134 /nfs/dbraw/zinc/07/81/34/387078134.db2.gz ZBDRARYYEDPWFO-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO CCC1([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000296652834 387078289 /nfs/dbraw/zinc/07/82/89/387078289.db2.gz ZBDRARYYEDPWFO-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297290705 133673172 /nfs/dbraw/zinc/67/31/72/133673172.db2.gz LVIFZTVMZUMEGG-HZMBPMFUSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000297290711 133673296 /nfs/dbraw/zinc/67/32/96/133673296.db2.gz LVIFZTVMZUMEGG-IINYFYTJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298425478 167368823 /nfs/dbraw/zinc/36/88/23/167368823.db2.gz MUCKAKOXNHRJHE-LLVKDONJSA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000298425482 188214693 /nfs/dbraw/zinc/21/46/93/188214693.db2.gz MUCKAKOXNHRJHE-NSHDSACASA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000298447273 167367786 /nfs/dbraw/zinc/36/77/86/167367786.db2.gz FQLDUVAASCJNEU-LLVKDONJSA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000298447279 388582940 /nfs/dbraw/zinc/58/29/40/388582940.db2.gz FQLDUVAASCJNEU-NSHDSACASA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000298463808 167368096 /nfs/dbraw/zinc/36/80/96/167368096.db2.gz ZKDKWQMIOPGSNJ-LLVKDONJSA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000298463810 398277258 /nfs/dbraw/zinc/27/72/58/398277258.db2.gz ZKDKWQMIOPGSNJ-NSHDSACASA-N 1 0 236.315 3.071 20 5 BGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298761543 167367781 /nfs/dbraw/zinc/36/77/81/167367781.db2.gz UJEWGDWOOGMYLF-SECBINFHSA-N 1 0 242.344 3.133 20 5 BGBDRO CC(C)[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298761545 388651815 /nfs/dbraw/zinc/65/18/15/388651815.db2.gz UJEWGDWOOGMYLF-VIFPVBQESA-N 1 0 242.344 3.133 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000302736207 177105299 /nfs/dbraw/zinc/10/52/99/177105299.db2.gz DMVFVCQEVQBTIX-NWDGAFQWSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000302736208 176103563 /nfs/dbraw/zinc/10/35/63/176103563.db2.gz DMVFVCQEVQBTIX-VXGBXAGGSA-N 1 0 248.326 3.388 20 5 BGBDRO CC(C)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000309395587 350367764 /nfs/dbraw/zinc/36/77/64/350367764.db2.gz VFFMCTPBOXOMIQ-UHFFFAOYSA-N 1 0 242.344 3.181 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310339368 384849151 /nfs/dbraw/zinc/84/91/51/384849151.db2.gz CJRXFAAIZHUIBN-GBIKHYSHSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310339369 384850542 /nfs/dbraw/zinc/85/05/42/384850542.db2.gz CJRXFAAIZHUIBN-KWBADKCTSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310339370 176927635 /nfs/dbraw/zinc/92/76/35/176927635.db2.gz CJRXFAAIZHUIBN-NRUUGDAUSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310339371 384850067 /nfs/dbraw/zinc/85/00/67/384850067.db2.gz CJRXFAAIZHUIBN-OUJBWJOFSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000310706820 229510382 /nfs/dbraw/zinc/51/03/82/229510382.db2.gz SMMPVSDSJXQAIG-GWCFXTLKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000310706821 384258247 /nfs/dbraw/zinc/25/82/47/384258247.db2.gz SMMPVSDSJXQAIG-GXFFZTMASA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000310706822 256531512 /nfs/dbraw/zinc/53/15/12/256531512.db2.gz SMMPVSDSJXQAIG-MFKMUULPSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000310706823 384257916 /nfs/dbraw/zinc/25/79/16/384257916.db2.gz SMMPVSDSJXQAIG-ZWNOBZJWSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310716815 384269369 /nfs/dbraw/zinc/26/93/69/384269369.db2.gz WSQBCBZXGSUFBH-GWCFXTLKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310716817 229510545 /nfs/dbraw/zinc/51/05/45/229510545.db2.gz WSQBCBZXGSUFBH-GXFFZTMASA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310716819 384270031 /nfs/dbraw/zinc/27/00/31/384270031.db2.gz WSQBCBZXGSUFBH-MFKMUULPSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000310716822 533519136 /nfs/dbraw/zinc/51/91/36/533519136.db2.gz WSQBCBZXGSUFBH-ZWNOBZJWSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000310841430 178624921 /nfs/dbraw/zinc/62/49/21/178624921.db2.gz BFSXVLJCXWJPGG-CYBMUJFWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000310841432 384505834 /nfs/dbraw/zinc/50/58/34/384505834.db2.gz BFSXVLJCXWJPGG-ZDUSSCGKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000310910001 384530469 /nfs/dbraw/zinc/53/04/69/384530469.db2.gz GYKLDDRTCQVKFO-CDMKHQONSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000310910003 229514672 /nfs/dbraw/zinc/51/46/72/229514672.db2.gz GYKLDDRTCQVKFO-GAFUQQFSSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000310910005 384531266 /nfs/dbraw/zinc/53/12/66/384531266.db2.gz GYKLDDRTCQVKFO-SUZMYJTESA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000310910007 384530732 /nfs/dbraw/zinc/53/07/32/384530732.db2.gz GYKLDDRTCQVKFO-XHVZSJERSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000310972889 384609325 /nfs/dbraw/zinc/60/93/25/384609325.db2.gz WDWHXCNSJISWPX-CYBMUJFWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[NH2+][C@H]2CCC2(C)C)cccc1[N+](=O)[O-] ZINC000310972890 384609089 /nfs/dbraw/zinc/60/90/89/384609089.db2.gz WDWHXCNSJISWPX-ZDUSSCGKSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310980880 171549340 /nfs/dbraw/zinc/54/93/40/171549340.db2.gz XVQUOVLJVBZKDF-BPNCWPANSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310980883 385263608 /nfs/dbraw/zinc/26/36/08/385263608.db2.gz XVQUOVLJVBZKDF-DDTOSNHZSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310980887 385263684 /nfs/dbraw/zinc/26/36/84/385263684.db2.gz XVQUOVLJVBZKDF-LEWSCRJBSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000310980892 385262916 /nfs/dbraw/zinc/26/29/16/385262916.db2.gz XVQUOVLJVBZKDF-SWHYSGLUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000311125570 384780177 /nfs/dbraw/zinc/78/01/77/384780177.db2.gz VEOSRAJUKWWDRZ-AYGWYOGXSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000311125571 384778757 /nfs/dbraw/zinc/77/87/57/384778757.db2.gz VEOSRAJUKWWDRZ-BBGACYKPSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000311125572 388672734 /nfs/dbraw/zinc/67/27/34/388672734.db2.gz VEOSRAJUKWWDRZ-NJBDSQKTSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000311125573 388672932 /nfs/dbraw/zinc/67/29/32/388672932.db2.gz VEOSRAJUKWWDRZ-YAMSLAJTSA-N 1 0 248.326 3.290 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000321063025 387941024 /nfs/dbraw/zinc/94/10/24/387941024.db2.gz JHSLUSOXDSRDRF-IRUJWGPZSA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000321063026 385016604 /nfs/dbraw/zinc/01/66/04/385016604.db2.gz JHSLUSOXDSRDRF-NDMJEZRESA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000321063027 385016241 /nfs/dbraw/zinc/01/62/41/385016241.db2.gz JHSLUSOXDSRDRF-UFGOTCBOSA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@H](C)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000321063028 259468150 /nfs/dbraw/zinc/46/81/50/259468150.db2.gz JHSLUSOXDSRDRF-XWIASGKRSA-N 1 0 248.326 3.037 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000321154545 387952133 /nfs/dbraw/zinc/95/21/33/387952133.db2.gz WPSYCLFGBPYBEB-DEKYYXRVSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C ZINC000321154546 387952434 /nfs/dbraw/zinc/95/24/34/387952434.db2.gz WPSYCLFGBPYBEB-DYNIEEOBSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000321154547 385035197 /nfs/dbraw/zinc/03/51/97/385035197.db2.gz WPSYCLFGBPYBEB-FBKDDSFISA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C ZINC000321154548 385037350 /nfs/dbraw/zinc/03/73/50/385037350.db2.gz WPSYCLFGBPYBEB-KZWBYHQPSA-N 1 0 248.326 3.290 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1C ZINC000321757619 385613849 /nfs/dbraw/zinc/61/38/49/385613849.db2.gz CDHFKOORTKAEDN-DRZSPHRISA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000321757620 387300644 /nfs/dbraw/zinc/30/06/44/387300644.db2.gz CDHFKOORTKAEDN-RTXFEEFZSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C ZINC000321757622 387300849 /nfs/dbraw/zinc/30/08/49/387300849.db2.gz CDHFKOORTKAEDN-UHTWSYAYSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000321757624 387301773 /nfs/dbraw/zinc/30/17/73/387301773.db2.gz CDHFKOORTKAEDN-WXHSDQCUSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000322223276 259377475 /nfs/dbraw/zinc/37/74/75/259377475.db2.gz XPUUDTWJFAKRHA-BPNCWPANSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000322223278 259377569 /nfs/dbraw/zinc/37/75/69/259377569.db2.gz XPUUDTWJFAKRHA-GDLCADMTSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000322223280 259377479 /nfs/dbraw/zinc/37/74/79/259377479.db2.gz XPUUDTWJFAKRHA-HONMWMINSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000322223282 259377498 /nfs/dbraw/zinc/37/74/98/259377498.db2.gz XPUUDTWJFAKRHA-SWHYSGLUSA-N 1 0 248.326 3.119 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000322815463 388447781 /nfs/dbraw/zinc/44/77/81/388447781.db2.gz FUMOPRMYPUPAIH-CYBMUJFWSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000322815464 388448180 /nfs/dbraw/zinc/44/81/80/388448180.db2.gz FUMOPRMYPUPAIH-ZDUSSCGKSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000322817731 386972036 /nfs/dbraw/zinc/97/20/36/386972036.db2.gz GFGNMWSDONNNGZ-AWEZNQCLSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000322817732 386972282 /nfs/dbraw/zinc/97/22/82/386972282.db2.gz GFGNMWSDONNNGZ-CQSZACIVSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000324265925 350289954 /nfs/dbraw/zinc/28/99/54/350289954.db2.gz DIDJXKBPWDERNS-CYBMUJFWSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000324265926 350289734 /nfs/dbraw/zinc/28/97/34/350289734.db2.gz DIDJXKBPWDERNS-ZDUSSCGKSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324306953 350292124 /nfs/dbraw/zinc/29/21/24/350292124.db2.gz LVIFZTVMZUMEGG-QMTHXVAHSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000324306954 350291688 /nfs/dbraw/zinc/29/16/88/350291688.db2.gz LVIFZTVMZUMEGG-YGRLFVJLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000324451829 387237615 /nfs/dbraw/zinc/23/76/15/387237615.db2.gz WZRHOMMOZHWTCP-AWEZNQCLSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000324451832 387237845 /nfs/dbraw/zinc/23/78/45/387237845.db2.gz WZRHOMMOZHWTCP-CQSZACIVSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000336680192 384250970 /nfs/dbraw/zinc/25/09/70/384250970.db2.gz RDKFRONCYLSISD-UHFFFAOYSA-N 1 0 240.328 3.102 20 5 BGBDRO CCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336713952 168299013 /nfs/dbraw/zinc/29/90/13/168299013.db2.gz OPRAARMBADDBJE-UHFFFAOYSA-N 1 0 240.278 3.012 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000336722882 384255973 /nfs/dbraw/zinc/25/59/73/384255973.db2.gz YJZGGOJNQLAKOO-GBIKHYSHSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000336722888 397919361 /nfs/dbraw/zinc/91/93/61/397919361.db2.gz YJZGGOJNQLAKOO-KWBADKCTSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000336722890 384256368 /nfs/dbraw/zinc/25/63/68/384256368.db2.gz YJZGGOJNQLAKOO-NRUUGDAUSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000336722891 384256358 /nfs/dbraw/zinc/25/63/58/384256358.db2.gz YJZGGOJNQLAKOO-OUJBWJOFSA-N 1 0 234.299 3.044 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336795749 177592070 /nfs/dbraw/zinc/59/20/70/177592070.db2.gz MZOVXTVHHAIEMT-GBIKHYSHSA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000336795750 384284420 /nfs/dbraw/zinc/28/44/20/384284420.db2.gz MZOVXTVHHAIEMT-GIPNMCIBSA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000336795751 384284455 /nfs/dbraw/zinc/28/44/55/384284455.db2.gz MZOVXTVHHAIEMT-OPQQBVKSSA-N 1 0 248.326 3.037 20 5 BGBDRO Cc1c(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000336795752 384284366 /nfs/dbraw/zinc/28/43/66/384284366.db2.gz MZOVXTVHHAIEMT-OUJBWJOFSA-N 1 0 248.326 3.037 20 5 BGBDRO CCC[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337209982 169368049 /nfs/dbraw/zinc/36/80/49/169368049.db2.gz BPUMTDOKHXGDFG-LLVKDONJSA-N 1 0 248.326 3.142 20 5 BGBDRO CCC[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337209983 491125268 /nfs/dbraw/zinc/12/52/68/491125268.db2.gz BPUMTDOKHXGDFG-NSHDSACASA-N 1 0 248.326 3.142 20 5 BGBDRO CC(C)c1ccc(C[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000337344288 384401988 /nfs/dbraw/zinc/40/19/88/384401988.db2.gz KBOPWIHJIYICOP-UHFFFAOYSA-N 1 0 248.326 3.360 20 5 BGBDRO C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000338327166 176071839 /nfs/dbraw/zinc/07/18/39/176071839.db2.gz LGHOBYADBNDUOA-GFCCVEGCSA-N 1 0 248.326 3.012 20 5 BGBDRO C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000338327167 177076416 /nfs/dbraw/zinc/07/64/16/177076416.db2.gz LGHOBYADBNDUOA-LBPRGKRZSA-N 1 0 248.326 3.012 20 5 BGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338888930 177203435 /nfs/dbraw/zinc/20/34/35/177203435.db2.gz CFSXPODDJCICSL-AAEUAGOBSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338888932 176207646 /nfs/dbraw/zinc/20/76/46/176207646.db2.gz CFSXPODDJCICSL-DGCLKSJQSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338888933 177191707 /nfs/dbraw/zinc/19/17/07/177191707.db2.gz CFSXPODDJCICSL-WCQYABFASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338888935 176229319 /nfs/dbraw/zinc/22/93/19/176229319.db2.gz CFSXPODDJCICSL-YPMHNXCESA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000339025699 177203240 /nfs/dbraw/zinc/20/32/40/177203240.db2.gz AXLNYWFHVAHGFH-AAEUAGOBSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000339025701 176207606 /nfs/dbraw/zinc/20/76/06/176207606.db2.gz AXLNYWFHVAHGFH-DGCLKSJQSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000339025703 177191165 /nfs/dbraw/zinc/19/11/65/177191165.db2.gz AXLNYWFHVAHGFH-WCQYABFASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000339025705 176228662 /nfs/dbraw/zinc/22/86/62/176228662.db2.gz AXLNYWFHVAHGFH-YPMHNXCESA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027154 176207857 /nfs/dbraw/zinc/20/78/57/176207857.db2.gz AYSONBPSRMQWHZ-BXUZGUMPSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027155 177203490 /nfs/dbraw/zinc/20/34/90/177203490.db2.gz AYSONBPSRMQWHZ-FZMZJTMJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027156 176228625 /nfs/dbraw/zinc/22/86/25/176228625.db2.gz AYSONBPSRMQWHZ-RISCZKNCSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339027157 177191595 /nfs/dbraw/zinc/19/15/95/177191595.db2.gz AYSONBPSRMQWHZ-SMDDNHRTSA-N 1 0 248.326 3.215 20 5 BGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000339250976 383942126 /nfs/dbraw/zinc/94/21/26/383942126.db2.gz PNNWGURBJJTTCD-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000339252444 344648330 /nfs/dbraw/zinc/64/83/30/344648330.db2.gz GAOAMKWEMWZYMR-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000339257056 383937866 /nfs/dbraw/zinc/93/78/66/383937866.db2.gz VRVHTVBEQUBQAS-UHFFFAOYSA-N 1 0 236.315 3.073 20 5 BGBDRO CC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000339258047 344648803 /nfs/dbraw/zinc/64/88/03/344648803.db2.gz VHEMEXJCPNGNQN-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339259855 344648676 /nfs/dbraw/zinc/64/86/76/344648676.db2.gz RTSSIVQIGMTKSI-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(C)C)CC1 ZINC000339509146 178271252 /nfs/dbraw/zinc/27/12/52/178271252.db2.gz XTUWNGGYAFJWIO-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1c(C[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000339630860 168114016 /nfs/dbraw/zinc/11/40/16/168114016.db2.gz XRTIVPOFGBYVQU-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(C)CCC1 ZINC000340274451 384148144 /nfs/dbraw/zinc/14/81/44/384148144.db2.gz CFKJYWJEZHDXJN-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000340617643 384517944 /nfs/dbraw/zinc/51/79/44/384517944.db2.gz SECQNZIXHCDFDB-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000340632867 384521290 /nfs/dbraw/zinc/52/12/90/384521290.db2.gz AWWTUYONGXHZBQ-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000340674362 345609195 /nfs/dbraw/zinc/60/91/95/345609195.db2.gz HCXHGQGEHONXII-CYBMUJFWSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000340674363 384527152 /nfs/dbraw/zinc/52/71/52/384527152.db2.gz HCXHGQGEHONXII-ZDUSSCGKSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340685434 345617082 /nfs/dbraw/zinc/61/70/82/345617082.db2.gz ZEOOUQVYWBHCOG-CYBMUJFWSA-N 1 0 248.326 3.012 20 5 BGBDRO CC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000340685435 384530145 /nfs/dbraw/zinc/53/01/45/384530145.db2.gz ZEOOUQVYWBHCOG-ZDUSSCGKSA-N 1 0 248.326 3.012 20 5 BGBDRO CC[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000340695622 384534361 /nfs/dbraw/zinc/53/43/61/384534361.db2.gz JPEDXMDZRLYARD-JTQLQIEISA-N 1 0 240.328 3.031 20 5 BGBDRO CC[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000340695623 345640842 /nfs/dbraw/zinc/64/08/42/345640842.db2.gz JPEDXMDZRLYARD-SNVBAGLBSA-N 1 0 240.328 3.031 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000342224760 135252769 /nfs/dbraw/zinc/25/27/69/135252769.db2.gz JJBTYGHGWOCXPK-CYBMUJFWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC1(C)C ZINC000342224774 135253049 /nfs/dbraw/zinc/25/30/49/135253049.db2.gz JJBTYGHGWOCXPK-ZDUSSCGKSA-N 1 0 248.326 3.181 20 5 BGBDRO CC/C=C\CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000342282159 350038235 /nfs/dbraw/zinc/03/82/35/350038235.db2.gz YLUGRYYNOLCHLK-PLNGDYQASA-N 1 0 248.326 3.383 20 5 BGBDRO CCC1CC([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000342588166 135293675 /nfs/dbraw/zinc/29/36/75/135293675.db2.gz BQJRFYUHQFNVCV-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000342847109 350778331 /nfs/dbraw/zinc/77/83/31/350778331.db2.gz ALTCLBCKJTTYDB-CYBMUJFWSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000342847110 350778544 /nfs/dbraw/zinc/77/85/44/350778544.db2.gz ALTCLBCKJTTYDB-ZDUSSCGKSA-N 1 0 248.326 3.134 20 5 BGBDRO CCC[N@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343641397 350985059 /nfs/dbraw/zinc/98/50/59/350985059.db2.gz BXSZUSMRRGXWJD-LLVKDONJSA-N 1 0 236.315 3.388 20 5 BGBDRO CCC[N@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343641399 350985153 /nfs/dbraw/zinc/98/51/53/350985153.db2.gz BXSZUSMRRGXWJD-NSHDSACASA-N 1 0 236.315 3.388 20 5 BGBDRO CCC[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000343654399 350986107 /nfs/dbraw/zinc/98/61/07/350986107.db2.gz VHLJEXJFJBTNRF-LLVKDONJSA-N 1 0 236.315 3.388 20 5 BGBDRO CCC[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343654400 350985836 /nfs/dbraw/zinc/98/58/36/350985836.db2.gz VHLJEXJFJBTNRF-NSHDSACASA-N 1 0 236.315 3.388 20 5 BGBDRO C[C@H](CCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345847930 135474021 /nfs/dbraw/zinc/47/40/21/135474021.db2.gz HOPFQUYDESDQEH-LLVKDONJSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345847933 490104654 /nfs/dbraw/zinc/10/46/54/490104654.db2.gz HOPFQUYDESDQEH-NSHDSACASA-N 1 0 248.326 3.263 20 5 BGBDRO CCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000346284479 169130612 /nfs/dbraw/zinc/13/06/12/169130612.db2.gz AHCRHSGOZCXKTN-UHFFFAOYSA-N 1 0 236.315 3.135 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000346585388 357099337 /nfs/dbraw/zinc/09/93/37/357099337.db2.gz ZILGGKHDQNRCMP-GWCFXTLKSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000346585389 357099600 /nfs/dbraw/zinc/09/96/00/357099600.db2.gz ZILGGKHDQNRCMP-GXFFZTMASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000346585390 357099503 /nfs/dbraw/zinc/09/95/03/357099503.db2.gz ZILGGKHDQNRCMP-MFKMUULPSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000346585391 357099429 /nfs/dbraw/zinc/09/94/29/357099429.db2.gz ZILGGKHDQNRCMP-ZWNOBZJWSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c(C[N@@H+]2CCC23CCC3)cccc1[N+](=O)[O-] ZINC000348306927 136065714 /nfs/dbraw/zinc/06/57/14/136065714.db2.gz NBYSEZYOGKCMHC-UHFFFAOYSA-N 1 0 246.310 3.032 20 5 BGBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000348307562 136066307 /nfs/dbraw/zinc/06/63/07/136066307.db2.gz PDBDTMMJARICET-AAEUAGOBSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000348307567 136066423 /nfs/dbraw/zinc/06/64/23/136066423.db2.gz PDBDTMMJARICET-DGCLKSJQSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000348307574 536101137 /nfs/dbraw/zinc/10/11/37/536101137.db2.gz PDBDTMMJARICET-WCQYABFASA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000348307594 136066199 /nfs/dbraw/zinc/06/61/99/136066199.db2.gz PDBDTMMJARICET-YPMHNXCESA-N 1 0 248.326 3.181 20 5 BGBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000349838041 370553921 /nfs/dbraw/zinc/55/39/21/370553921.db2.gz WOPXKQPGBOBDCE-UHFFFAOYSA-N 1 0 236.315 3.135 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]1C(C)C ZINC000349976053 178271685 /nfs/dbraw/zinc/27/16/85/178271685.db2.gz ZJUWLLGAGQTMMG-AWEZNQCLSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]1C(C)C ZINC000349976054 178271553 /nfs/dbraw/zinc/27/15/53/178271553.db2.gz ZJUWLLGAGQTMMG-CQSZACIVSA-N 1 0 248.326 3.134 20 5 BGBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349976058 488129697 /nfs/dbraw/zinc/12/96/97/488129697.db2.gz ZJXPEYYQDCMPFV-CYBMUJFWSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000349976059 488129593 /nfs/dbraw/zinc/12/95/93/488129593.db2.gz ZJXPEYYQDCMPFV-ZDUSSCGKSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(C)CC1 ZINC000349976111 168114577 /nfs/dbraw/zinc/11/45/77/168114577.db2.gz ZXBNTMAHBBIZTK-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000349978402 370857044 /nfs/dbraw/zinc/85/70/44/370857044.db2.gz TVJZCTWLJYZYAY-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCC2 ZINC000349980431 370856951 /nfs/dbraw/zinc/85/69/51/370856951.db2.gz ZCDQZVYOJZMSLV-UHFFFAOYSA-N 1 0 246.310 3.032 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC1(C)C ZINC000350082448 136354297 /nfs/dbraw/zinc/35/42/97/136354297.db2.gz CAUDFSNTSQQZFG-GFCCVEGCSA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC1(C)C ZINC000350082449 136354211 /nfs/dbraw/zinc/35/42/11/136354211.db2.gz CAUDFSNTSQQZFG-LBPRGKRZSA-N 1 0 248.326 3.039 20 5 BGBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000352641525 371860693 /nfs/dbraw/zinc/86/06/93/371860693.db2.gz BBYMJXSDGDOOSM-CYBMUJFWSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000352641526 388362748 /nfs/dbraw/zinc/36/27/48/388362748.db2.gz BBYMJXSDGDOOSM-ZDUSSCGKSA-N 1 0 248.326 3.278 20 5 BGBDRO CC(C)[NH+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000352771083 188057901 /nfs/dbraw/zinc/05/79/01/188057901.db2.gz XACBNYUCNTVRLK-UHFFFAOYSA-N 1 0 242.344 3.275 20 5 BGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000353460475 176063545 /nfs/dbraw/zinc/06/35/45/176063545.db2.gz CCBQZYCZNUBUHG-GFCCVEGCSA-N 1 0 248.326 3.359 20 5 BGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000353469508 176063355 /nfs/dbraw/zinc/06/33/55/176063355.db2.gz FVJUNUCAZTXPRH-GFCCVEGCSA-N 1 0 248.326 3.359 20 5 BGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000353490961 176063218 /nfs/dbraw/zinc/06/32/18/176063218.db2.gz ICRLLVZKKOXAGE-GFCCVEGCSA-N 1 0 248.326 3.359 20 5 BGBDRO Cc1ccc(C[N@@H+]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000353655851 388372233 /nfs/dbraw/zinc/37/22/33/388372233.db2.gz QUDMOSVXPALDAL-UHFFFAOYSA-N 1 0 246.310 3.032 20 5 BGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000353852754 177263375 /nfs/dbraw/zinc/26/33/75/177263375.db2.gz CXDYWXMDHLMOKX-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000353852765 176304299 /nfs/dbraw/zinc/30/42/99/176304299.db2.gz CXDYWXMDHLMOKX-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000353869500 371964260 /nfs/dbraw/zinc/96/42/60/371964260.db2.gz LHLBULJGBBWPBP-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353871871 177264884 /nfs/dbraw/zinc/26/48/84/177264884.db2.gz ULWHNYQEUOKHRC-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353871872 176306645 /nfs/dbraw/zinc/30/66/45/176306645.db2.gz ULWHNYQEUOKHRC-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000353877022 177267008 /nfs/dbraw/zinc/26/70/08/177267008.db2.gz BKBSRFUSFRELSC-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000353877024 176308067 /nfs/dbraw/zinc/30/80/67/176308067.db2.gz BKBSRFUSFRELSC-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO Cc1ccc(C[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000353909969 168114317 /nfs/dbraw/zinc/11/43/17/168114317.db2.gz FBHDTYYIRDFQPE-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354072503 171200178 /nfs/dbraw/zinc/20/01/78/171200178.db2.gz IAVPUFQSCNMOGK-AWEZNQCLSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354072504 388377252 /nfs/dbraw/zinc/37/72/52/388377252.db2.gz IAVPUFQSCNMOGK-CQSZACIVSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354078372 171200741 /nfs/dbraw/zinc/20/07/41/171200741.db2.gz QOJTWWBCHZKYIH-AWEZNQCLSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000354078373 388376502 /nfs/dbraw/zinc/37/65/02/388376502.db2.gz QOJTWWBCHZKYIH-CQSZACIVSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000354087466 171201990 /nfs/dbraw/zinc/20/19/90/171201990.db2.gz AWRSWFVPPYJLPN-AWEZNQCLSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000354087467 388376579 /nfs/dbraw/zinc/37/65/79/388376579.db2.gz AWRSWFVPPYJLPN-CQSZACIVSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[N@H+](CCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000355030862 387378658 /nfs/dbraw/zinc/37/86/58/387378658.db2.gz DTZPOUCLHVBTDZ-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[N@H+](CCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000355070694 387505786 /nfs/dbraw/zinc/50/57/86/387505786.db2.gz TZWYCDZFPDEMJH-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO Cc1ccc(C[NH2+]CCC2(C)CC2)cc1[N+](=O)[O-] ZINC000355123948 411183992 /nfs/dbraw/zinc/18/39/92/411183992.db2.gz BNQRHDDMOHLSOB-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(C)CC1 ZINC000355137014 178271400 /nfs/dbraw/zinc/27/14/00/178271400.db2.gz SINDXXYWKGDKBZ-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000355600859 372079320 /nfs/dbraw/zinc/07/93/20/372079320.db2.gz FXXPQBFVZCWORV-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000355606547 372079039 /nfs/dbraw/zinc/07/90/39/372079039.db2.gz LOGAQNLVPQNJED-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000355610078 351346471 /nfs/dbraw/zinc/34/64/71/351346471.db2.gz QYKGNMSKCBSBET-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000357008411 388391208 /nfs/dbraw/zinc/39/12/08/388391208.db2.gz GBWWQOGPHIAFSZ-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000357008412 388391196 /nfs/dbraw/zinc/39/11/96/388391196.db2.gz GBWWQOGPHIAFSZ-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000357031413 386327365 /nfs/dbraw/zinc/32/73/65/386327365.db2.gz FVTHLDLWCXLSLY-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000357031414 386325590 /nfs/dbraw/zinc/32/55/90/386325590.db2.gz FVTHLDLWCXLSLY-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000357526911 398328898 /nfs/dbraw/zinc/32/88/98/398328898.db2.gz HCKAVIMDIOXSFB-AAEUAGOBSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000357526916 171038899 /nfs/dbraw/zinc/03/88/99/171038899.db2.gz HCKAVIMDIOXSFB-DGCLKSJQSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000357526927 171054489 /nfs/dbraw/zinc/05/44/89/171054489.db2.gz HCKAVIMDIOXSFB-WCQYABFASA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000357526931 386413409 /nfs/dbraw/zinc/41/34/09/386413409.db2.gz HCKAVIMDIOXSFB-YPMHNXCESA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000357533867 386427709 /nfs/dbraw/zinc/42/77/09/386427709.db2.gz YWTONZNVDUTOPV-AAEUAGOBSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000357533869 171038982 /nfs/dbraw/zinc/03/89/82/171038982.db2.gz YWTONZNVDUTOPV-DGCLKSJQSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000357533871 171053511 /nfs/dbraw/zinc/05/35/11/171053511.db2.gz YWTONZNVDUTOPV-WCQYABFASA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000357533874 386428123 /nfs/dbraw/zinc/42/81/23/386428123.db2.gz YWTONZNVDUTOPV-YPMHNXCESA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000357549050 386499095 /nfs/dbraw/zinc/49/90/95/386499095.db2.gz DGAFZUMCMQSYNO-AAEUAGOBSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000357549052 171038792 /nfs/dbraw/zinc/03/87/92/171038792.db2.gz DGAFZUMCMQSYNO-DGCLKSJQSA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000357549053 171055142 /nfs/dbraw/zinc/05/51/42/171055142.db2.gz DGAFZUMCMQSYNO-WCQYABFASA-N 1 0 248.326 3.358 20 5 BGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000357549066 386499450 /nfs/dbraw/zinc/49/94/50/386499450.db2.gz DGAFZUMCMQSYNO-YPMHNXCESA-N 1 0 248.326 3.358 20 5 BGBDRO Cc1c([C@@H](C)[NH2+]CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000358185475 177629122 /nfs/dbraw/zinc/62/91/22/177629122.db2.gz HKEJZRYUPMQOBH-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1c([C@H](C)[NH2+]CC2(C)CC2)cccc1[N+](=O)[O-] ZINC000358185478 386838464 /nfs/dbraw/zinc/83/84/64/386838464.db2.gz HKEJZRYUPMQOBH-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358978706 384369915 /nfs/dbraw/zinc/36/99/15/384369915.db2.gz CZFNEVLZYSMMDK-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CCC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358978708 384370011 /nfs/dbraw/zinc/37/00/11/384370011.db2.gz CZFNEVLZYSMMDK-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000359005923 384372463 /nfs/dbraw/zinc/37/24/63/384372463.db2.gz WZNWQFFOXMIAJK-LLVKDONJSA-N 1 0 248.326 3.436 20 5 BGBDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000359005924 176840087 /nfs/dbraw/zinc/84/00/87/176840087.db2.gz WZNWQFFOXMIAJK-NSHDSACASA-N 1 0 248.326 3.436 20 5 BGBDRO CC1=C(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000361108581 168084955 /nfs/dbraw/zinc/08/49/55/168084955.db2.gz CSJFCILWSDGLOX-UHFFFAOYSA-N 1 0 246.310 3.137 20 5 BGBDRO CC1=C(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361125765 168085566 /nfs/dbraw/zinc/08/55/66/168085566.db2.gz KKPFEBINDKMHCG-UHFFFAOYSA-N 1 0 246.310 3.137 20 5 BGBDRO CC1=C(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000361126287 168086046 /nfs/dbraw/zinc/08/60/46/168086046.db2.gz MDDTXMDGOILHHS-UHFFFAOYSA-N 1 0 246.310 3.137 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000361347643 384682794 /nfs/dbraw/zinc/68/27/94/384682794.db2.gz XGIJZWQEZPIYOU-GRYCIOLGSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000361347644 176180292 /nfs/dbraw/zinc/18/02/92/176180292.db2.gz XGIJZWQEZPIYOU-IJLUTSLNSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000361347645 176025728 /nfs/dbraw/zinc/02/57/28/176025728.db2.gz XGIJZWQEZPIYOU-UTUOFQBUSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000361347646 176026009 /nfs/dbraw/zinc/02/60/09/176026009.db2.gz XGIJZWQEZPIYOU-WOPDTQHZSA-N 1 0 248.326 3.386 20 5 BGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000365628565 386237181 /nfs/dbraw/zinc/23/71/81/386237181.db2.gz LPAYBUUXIGKCRS-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000365636349 385000987 /nfs/dbraw/zinc/00/09/87/385000987.db2.gz JHANYUSXYVMHEM-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000371743472 388698788 /nfs/dbraw/zinc/69/87/88/388698788.db2.gz IWJLBOBNCDJQGQ-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C23CCC(CC2)C3)c1 ZINC000371745703 182944378 /nfs/dbraw/zinc/94/43/78/182944378.db2.gz YTVICAIGLXWGIU-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC12CCC2 ZINC000373100928 388708621 /nfs/dbraw/zinc/70/86/21/388708621.db2.gz UMIMURDCXOKJHL-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1=CCCCC1 ZINC000379564351 343575250 /nfs/dbraw/zinc/57/52/50/343575250.db2.gz DFJTYQIFHLKPPT-UHFFFAOYSA-N 1 0 246.310 3.185 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2=CCCCC2)c1 ZINC000379565943 343575496 /nfs/dbraw/zinc/57/54/96/343575496.db2.gz GVZVIDRNAIVALI-UHFFFAOYSA-N 1 0 246.310 3.185 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCCC2)cc1 ZINC000379569756 343576413 /nfs/dbraw/zinc/57/64/13/343576413.db2.gz ORJAPDIFYXMYBU-UHFFFAOYSA-N 1 0 246.310 3.185 20 5 BGBDRO CCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000382530203 350855329 /nfs/dbraw/zinc/85/53/29/350855329.db2.gz AEAWVYSRCFSKPM-UHFFFAOYSA-N 1 0 248.326 3.407 20 5 BGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000382560583 350878110 /nfs/dbraw/zinc/87/81/10/350878110.db2.gz LLSBBCWAVALOJV-UHFFFAOYSA-N 1 0 248.326 3.407 20 5 BGBDRO CC/C=C\C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000384885441 356790774 /nfs/dbraw/zinc/79/07/74/356790774.db2.gz JNQRZLGYKKVSSO-DOGVGXBMSA-N 1 0 234.299 3.212 20 5 BGBDRO CC/C=C\C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000384885442 356790764 /nfs/dbraw/zinc/79/07/64/356790764.db2.gz JNQRZLGYKKVSSO-WYGGZMRJSA-N 1 0 234.299 3.212 20 5 BGBDRO CC/C=C\C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000384945954 356812488 /nfs/dbraw/zinc/81/24/88/356812488.db2.gz UTRSVQHGENTBKI-DOGVGXBMSA-N 1 0 234.299 3.212 20 5 BGBDRO CC/C=C\C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000384945955 356812665 /nfs/dbraw/zinc/81/26/65/356812665.db2.gz UTRSVQHGENTBKI-WYGGZMRJSA-N 1 0 234.299 3.212 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000385726375 359628329 /nfs/dbraw/zinc/62/83/29/359628329.db2.gz XVCLQUJMNAEKRR-NJBDSQKTSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000385726376 359628145 /nfs/dbraw/zinc/62/81/45/359628145.db2.gz XVCLQUJMNAEKRR-YAMSLAJTSA-N 1 0 248.326 3.290 20 5 BGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000385792841 359672966 /nfs/dbraw/zinc/67/29/66/359672966.db2.gz FGNLFRFADCCZOA-TZMCWYRMSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000385816083 359752180 /nfs/dbraw/zinc/75/21/80/359752180.db2.gz JBEWQNVROQVROH-TZMCWYRMSA-N 1 0 248.326 3.119 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000386870975 363055278 /nfs/dbraw/zinc/05/52/78/363055278.db2.gz GYXGURBRDOAVQP-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000386870982 363054825 /nfs/dbraw/zinc/05/48/25/363054825.db2.gz GYXGURBRDOAVQP-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000386957317 363089064 /nfs/dbraw/zinc/08/90/64/363089064.db2.gz YCEYXOFJLBFXBF-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000386957318 363089193 /nfs/dbraw/zinc/08/91/93/363089193.db2.gz YCEYXOFJLBFXBF-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000387776218 369310452 /nfs/dbraw/zinc/31/04/52/369310452.db2.gz CMZYDLWLHUOSBJ-LOWVWBTDSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000387776220 369310616 /nfs/dbraw/zinc/31/06/16/369310616.db2.gz CMZYDLWLHUOSBJ-WZRBSPASSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387821813 369366134 /nfs/dbraw/zinc/36/61/34/369366134.db2.gz MLRSPUFSULXZIT-LOWVWBTDSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387821819 369366446 /nfs/dbraw/zinc/36/64/46/369366446.db2.gz MLRSPUFSULXZIT-WZRBSPASSA-N 1 0 248.326 3.292 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000387825965 369366416 /nfs/dbraw/zinc/36/64/16/369366416.db2.gz NEJOMYNSGQDDLB-OLZOCXBDSA-N 1 0 248.326 3.039 20 5 BGBDRO CCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000394617168 384236333 /nfs/dbraw/zinc/23/63/33/384236333.db2.gz WNKAAVZQHDNRQP-UHFFFAOYSA-N 1 0 248.326 3.407 20 5 BGBDRO Cc1ccc(C[NH2+]C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000395199188 344123738 /nfs/dbraw/zinc/12/37/38/344123738.db2.gz FBGGWSCGAZNAPA-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000395235554 323222636 /nfs/dbraw/zinc/22/26/36/323222636.db2.gz WNMHUUVQHILJKC-JTQLQIEISA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000395235555 323222657 /nfs/dbraw/zinc/22/26/57/323222657.db2.gz WNMHUUVQHILJKC-SNVBAGLBSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000395240803 384564349 /nfs/dbraw/zinc/56/43/49/384564349.db2.gz YPCLBYVWZFWDAW-JTQLQIEISA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000395240808 344130210 /nfs/dbraw/zinc/13/02/10/344130210.db2.gz YPCLBYVWZFWDAW-SNVBAGLBSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000395295977 262785969 /nfs/dbraw/zinc/78/59/69/262785969.db2.gz NDQJTWZVIJNFQD-JTQLQIEISA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000395295984 384692525 /nfs/dbraw/zinc/69/25/25/384692525.db2.gz NDQJTWZVIJNFQD-SNVBAGLBSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1c(C[NH2+]C2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000395308248 383825671 /nfs/dbraw/zinc/82/56/71/383825671.db2.gz VYEABEWHASKKNU-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000395344911 383890256 /nfs/dbraw/zinc/89/02/56/383890256.db2.gz OKVGRIXKKKJXIA-CHWSQXEVSA-N 1 0 248.326 3.119 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000395644162 323234918 /nfs/dbraw/zinc/23/49/18/323234918.db2.gz MNYQYLDQMOOQIB-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC12CCCC2 ZINC000395644164 323234928 /nfs/dbraw/zinc/23/49/28/323234928.db2.gz MNYQYLDQMOOQIB-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000397621476 385700511 /nfs/dbraw/zinc/70/05/11/385700511.db2.gz HMYYYDVKBHTYIZ-FOUMNBMASA-N 1 0 246.310 3.044 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000397621482 385700021 /nfs/dbraw/zinc/70/00/21/385700021.db2.gz HMYYYDVKBHTYIZ-SYEHKZFSSA-N 1 0 246.310 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000397640392 385702185 /nfs/dbraw/zinc/70/21/85/385702185.db2.gz RNXFBVSQAWCGGU-FOUMNBMASA-N 1 0 246.310 3.044 20 5 BGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000397640963 385702805 /nfs/dbraw/zinc/70/28/05/385702805.db2.gz RNXFBVSQAWCGGU-SYEHKZFSSA-N 1 0 246.310 3.044 20 5 BGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000397751108 385710075 /nfs/dbraw/zinc/71/00/75/385710075.db2.gz CAIWJAAVTMKILQ-CMPLNLGQSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000397751110 385711465 /nfs/dbraw/zinc/71/14/65/385711465.db2.gz CAIWJAAVTMKILQ-JQWIXIFHSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000397751112 385710834 /nfs/dbraw/zinc/71/08/34/385710834.db2.gz CAIWJAAVTMKILQ-PWSUYJOCSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000397751114 385711179 /nfs/dbraw/zinc/71/11/79/385711179.db2.gz CAIWJAAVTMKILQ-ZYHUDNBSSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000397758231 350970699 /nfs/dbraw/zinc/97/06/99/350970699.db2.gz IXMUEHVQNGQAJF-UHFFFAOYSA-N 1 0 248.326 3.349 20 5 BGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397860640 385721049 /nfs/dbraw/zinc/72/10/49/385721049.db2.gz YDLLKRIHKUPTIK-GWCFXTLKSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397860642 323099051 /nfs/dbraw/zinc/09/90/51/323099051.db2.gz YDLLKRIHKUPTIK-GXFFZTMASA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397860644 323099087 /nfs/dbraw/zinc/09/90/87/323099087.db2.gz YDLLKRIHKUPTIK-MFKMUULPSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397860646 323099045 /nfs/dbraw/zinc/09/90/45/323099045.db2.gz YDLLKRIHKUPTIK-ZWNOBZJWSA-N 1 0 248.326 3.119 20 5 BGBDRO CC1(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000398132859 385739015 /nfs/dbraw/zinc/73/90/15/385739015.db2.gz LEVVOBBFGVMIMG-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO CC1(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000398158547 385740375 /nfs/dbraw/zinc/74/03/75/385740375.db2.gz YGMLGMPBFTZKSU-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000398202892 351013608 /nfs/dbraw/zinc/01/36/08/351013608.db2.gz GCVXAJUMNDWICU-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000398235368 385742224 /nfs/dbraw/zinc/74/22/24/385742224.db2.gz VXFYABPESCEXEK-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC=CCC1 ZINC000398281577 398194250 /nfs/dbraw/zinc/19/42/50/398194250.db2.gz LLWNZLQPDNOKQN-AWEZNQCLSA-N 1 0 246.310 3.183 20 5 BGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC=CCC1 ZINC000398281578 398194498 /nfs/dbraw/zinc/19/44/98/398194498.db2.gz LLWNZLQPDNOKQN-CQSZACIVSA-N 1 0 246.310 3.183 20 5 BGBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC000398311644 385746015 /nfs/dbraw/zinc/74/60/15/385746015.db2.gz ZMYYCDAHKHVZRV-AWEZNQCLSA-N 1 0 246.310 3.183 20 5 BGBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC000398311647 262721150 /nfs/dbraw/zinc/72/11/50/262721150.db2.gz ZMYYCDAHKHVZRV-CQSZACIVSA-N 1 0 246.310 3.183 20 5 BGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412020426 191238145 /nfs/dbraw/zinc/23/81/45/191238145.db2.gz IVHOSKAGIKANBR-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000412020427 191237735 /nfs/dbraw/zinc/23/77/35/191237735.db2.gz IVHOSKAGIKANBR-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412032440 191240709 /nfs/dbraw/zinc/24/07/09/191240709.db2.gz CAFAGQNDPLBUCT-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000412032441 191242159 /nfs/dbraw/zinc/24/21/59/191242159.db2.gz CAFAGQNDPLBUCT-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412046441 191243746 /nfs/dbraw/zinc/24/37/46/191243746.db2.gz RHGZZGGNZWYPGJ-LLVKDONJSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000412046443 191243683 /nfs/dbraw/zinc/24/36/83/191243683.db2.gz RHGZZGGNZWYPGJ-NSHDSACASA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000414139471 387029903 /nfs/dbraw/zinc/02/99/03/387029903.db2.gz KSMAVKSRMIPYNK-DEKYYXRVSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000414139474 387030375 /nfs/dbraw/zinc/03/03/75/387030375.db2.gz KSMAVKSRMIPYNK-FBKDDSFISA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414139477 387029661 /nfs/dbraw/zinc/02/96/61/387029661.db2.gz KSMAVKSRMIPYNK-YAMSLAJTSA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414139480 387030647 /nfs/dbraw/zinc/03/06/47/387030647.db2.gz KSMAVKSRMIPYNK-ZHPDPMBESA-N 1 0 248.326 3.290 20 5 BGBDRO CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297013 488091624 /nfs/dbraw/zinc/09/16/24/488091624.db2.gz HZWQKXBLADRCHT-AWEZNQCLSA-N 1 0 248.326 3.362 20 5 BGBDRO CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417297015 488091708 /nfs/dbraw/zinc/09/17/08/488091708.db2.gz HZWQKXBLADRCHT-CQSZACIVSA-N 1 0 248.326 3.362 20 5 BGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCCC2 ZINC000417299087 191787555 /nfs/dbraw/zinc/78/75/55/191787555.db2.gz MBIAQGNYFHDWEG-AWEZNQCLSA-N 1 0 246.310 3.114 20 5 BGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCCC2 ZINC000417299091 488091515 /nfs/dbraw/zinc/09/15/15/488091515.db2.gz MBIAQGNYFHDWEG-CQSZACIVSA-N 1 0 246.310 3.114 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417362249 386571588 /nfs/dbraw/zinc/57/15/88/386571588.db2.gz KZQBSUMQYJBWCL-CMPLNLGQSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417362256 398306156 /nfs/dbraw/zinc/30/61/56/398306156.db2.gz KZQBSUMQYJBWCL-JQWIXIFHSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417362261 398306062 /nfs/dbraw/zinc/30/60/62/398306062.db2.gz KZQBSUMQYJBWCL-PWSUYJOCSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417362265 398305962 /nfs/dbraw/zinc/30/59/62/398305962.db2.gz KZQBSUMQYJBWCL-ZYHUDNBSSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417368065 191804686 /nfs/dbraw/zinc/80/46/86/191804686.db2.gz QMIXAOFMJWWKRW-CMPLNLGQSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417368066 398306079 /nfs/dbraw/zinc/30/60/79/398306079.db2.gz QMIXAOFMJWWKRW-JQWIXIFHSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417368067 191804783 /nfs/dbraw/zinc/80/47/83/191804783.db2.gz QMIXAOFMJWWKRW-PWSUYJOCSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417368068 191805554 /nfs/dbraw/zinc/80/55/54/191805554.db2.gz QMIXAOFMJWWKRW-ZYHUDNBSSA-N 1 0 246.310 3.046 20 5 BGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000418111708 388674553 /nfs/dbraw/zinc/67/45/53/388674553.db2.gz ANBBABCYUWIOLL-GRYCIOLGSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000418111709 388674677 /nfs/dbraw/zinc/67/46/77/388674677.db2.gz ANBBABCYUWIOLL-IJLUTSLNSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000418111710 388675138 /nfs/dbraw/zinc/67/51/38/388675138.db2.gz ANBBABCYUWIOLL-UTUOFQBUSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000418111711 388675438 /nfs/dbraw/zinc/67/54/38/388675438.db2.gz ANBBABCYUWIOLL-WOPDTQHZSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000418121808 388675103 /nfs/dbraw/zinc/67/51/03/388675103.db2.gz DSZOHBCYBZLPEW-GRYCIOLGSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000418121811 388675508 /nfs/dbraw/zinc/67/55/08/388675508.db2.gz DSZOHBCYBZLPEW-IJLUTSLNSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000418121813 384953976 /nfs/dbraw/zinc/95/39/76/384953976.db2.gz DSZOHBCYBZLPEW-UTUOFQBUSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000418121816 384953240 /nfs/dbraw/zinc/95/32/40/384953240.db2.gz DSZOHBCYBZLPEW-WOPDTQHZSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000418122537 387088200 /nfs/dbraw/zinc/08/82/00/387088200.db2.gz FSBJMTCNOZYRBG-GRYCIOLGSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000418122538 387087562 /nfs/dbraw/zinc/08/75/62/387087562.db2.gz FSBJMTCNOZYRBG-IJLUTSLNSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000418122539 387087229 /nfs/dbraw/zinc/08/72/29/387087229.db2.gz FSBJMTCNOZYRBG-UTUOFQBUSA-N 1 0 248.326 3.071 20 5 BGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000418122540 387086424 /nfs/dbraw/zinc/08/64/24/387086424.db2.gz FSBJMTCNOZYRBG-WOPDTQHZSA-N 1 0 248.326 3.071 20 5 BGBDRO CC[C@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421383363 192325969 /nfs/dbraw/zinc/32/59/69/192325969.db2.gz NZWRPDAPUZTISK-VFFGBVLKSA-N 1 0 248.326 3.244 20 5 BGBDRO CC[C@@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421383364 192325506 /nfs/dbraw/zinc/32/55/06/192325506.db2.gz NZWRPDAPUZTISK-WAFBPQNNSA-N 1 0 248.326 3.244 20 5 BGBDRO CC[C@H](C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000421383365 192325127 /nfs/dbraw/zinc/32/51/27/192325127.db2.gz NZWRPDAPUZTISK-WMADIVHISA-N 1 0 248.326 3.244 20 5 BGBDRO CC[C@@H](C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000421383366 192325072 /nfs/dbraw/zinc/32/50/72/192325072.db2.gz NZWRPDAPUZTISK-XYLWRLHESA-N 1 0 248.326 3.244 20 5 BGBDRO CC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000421391666 192327676 /nfs/dbraw/zinc/32/76/76/192327676.db2.gz WOHYJPYFNYWDCV-JTQLQIEISA-N 1 0 236.315 3.039 20 5 BGBDRO CC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000421391667 192328199 /nfs/dbraw/zinc/32/81/99/192328199.db2.gz WOHYJPYFNYWDCV-SNVBAGLBSA-N 1 0 236.315 3.039 20 5 BGBDRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424316952 388695847 /nfs/dbraw/zinc/69/58/47/388695847.db2.gz GGYXHURKJVQPDZ-CHWSQXEVSA-N 1 0 246.310 3.188 20 5 BGBDRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424316954 388696352 /nfs/dbraw/zinc/69/63/52/388696352.db2.gz GGYXHURKJVQPDZ-OLZOCXBDSA-N 1 0 246.310 3.188 20 5 BGBDRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424316956 388696127 /nfs/dbraw/zinc/69/61/27/388696127.db2.gz GGYXHURKJVQPDZ-QWHCGFSZSA-N 1 0 246.310 3.188 20 5 BGBDRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000424316958 200908825 /nfs/dbraw/zinc/90/88/25/200908825.db2.gz GGYXHURKJVQPDZ-STQMWFEESA-N 1 0 246.310 3.188 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000424326850 388695931 /nfs/dbraw/zinc/69/59/31/388695931.db2.gz PMHMKGWFPMWHEZ-GWCFXTLKSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000424326851 200912709 /nfs/dbraw/zinc/91/27/09/200912709.db2.gz PMHMKGWFPMWHEZ-GXFFZTMASA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000424326852 388695774 /nfs/dbraw/zinc/69/57/74/388695774.db2.gz PMHMKGWFPMWHEZ-MFKMUULPSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000424326853 388696303 /nfs/dbraw/zinc/69/63/03/388696303.db2.gz PMHMKGWFPMWHEZ-ZWNOBZJWSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424333654 200915909 /nfs/dbraw/zinc/91/59/09/200915909.db2.gz YBFIRYOBBYTPOQ-GWCFXTLKSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424333655 200916237 /nfs/dbraw/zinc/91/62/37/200916237.db2.gz YBFIRYOBBYTPOQ-GXFFZTMASA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424333657 388695752 /nfs/dbraw/zinc/69/57/52/388695752.db2.gz YBFIRYOBBYTPOQ-MFKMUULPSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424333938 388696210 /nfs/dbraw/zinc/69/62/10/388696210.db2.gz YBFIRYOBBYTPOQ-ZWNOBZJWSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000426542493 388711300 /nfs/dbraw/zinc/71/13/00/388711300.db2.gz YYZWCKSVSIVRIY-CYBMUJFWSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC1(C)C ZINC000426542494 388711024 /nfs/dbraw/zinc/71/10/24/388711024.db2.gz YYZWCKSVSIVRIY-ZDUSSCGKSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426566532 206051930 /nfs/dbraw/zinc/05/19/30/206051930.db2.gz SONULTXLHKUTCF-CYBMUJFWSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426566533 206052532 /nfs/dbraw/zinc/05/25/32/206052532.db2.gz SONULTXLHKUTCF-ZDUSSCGKSA-N 1 0 248.326 3.134 20 5 BGBDRO CC(C)([NH2+]CCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000429229901 201081680 /nfs/dbraw/zinc/08/16/80/201081680.db2.gz WTYYOVNWOJPGLA-UHFFFAOYSA-N 1 0 248.326 3.220 20 5 BGBDRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430122092 201146682 /nfs/dbraw/zinc/14/66/82/201146682.db2.gz HLFUYSBXFFSRCE-GHMZBOCLSA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430122094 201147793 /nfs/dbraw/zinc/14/77/93/201147793.db2.gz HLFUYSBXFFSRCE-MNOVXSKESA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430122096 201146484 /nfs/dbraw/zinc/14/64/84/201146484.db2.gz HLFUYSBXFFSRCE-QWRGUYRKSA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000430122098 201146788 /nfs/dbraw/zinc/14/67/88/201146788.db2.gz HLFUYSBXFFSRCE-WDEREUQCSA-N 1 0 248.326 3.076 20 5 BGBDRO CC[C@@H]1CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430195393 201151946 /nfs/dbraw/zinc/15/19/46/201151946.db2.gz IGSVKZPJFKGEFX-SCXUMTSISA-N 1 0 246.310 3.092 20 5 BGBDRO CC[C@H]1CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430195394 201151218 /nfs/dbraw/zinc/15/12/18/201151218.db2.gz IGSVKZPJFKGEFX-VGVVRCBHSA-N 1 0 246.310 3.092 20 5 BGBDRO CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126735 384954743 /nfs/dbraw/zinc/95/47/43/384954743.db2.gz PLGXJOPCFYAJST-CYBMUJFWSA-N 1 0 248.326 3.317 20 5 BGBDRO CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433126737 384952746 /nfs/dbraw/zinc/95/27/46/384952746.db2.gz PLGXJOPCFYAJST-ZDUSSCGKSA-N 1 0 248.326 3.317 20 5 BGBDRO CCC[N@H+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000434982261 201248683 /nfs/dbraw/zinc/24/86/83/201248683.db2.gz KTAIBBXIUSCOFI-CLFYSBASSA-N 1 0 248.326 3.340 20 5 BGBDRO CCC[N@H+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000434982262 201248809 /nfs/dbraw/zinc/24/88/09/201248809.db2.gz KTAIBBXIUSCOFI-VQHVLOKHSA-N 1 0 248.326 3.340 20 5 BGBDRO CCC[N@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000434993227 201248619 /nfs/dbraw/zinc/24/86/19/201248619.db2.gz XESWBISTOVIEIK-UHFFFAOYSA-N 1 0 236.315 3.135 20 5 BGBDRO Cc1c(C[N@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000436265454 201316696 /nfs/dbraw/zinc/31/66/96/201316696.db2.gz XNSMNBDNAXNFNR-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000436415144 201323825 /nfs/dbraw/zinc/32/38/25/201323825.db2.gz WRNWCFZXJAEXDS-GWCFXTLKSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000436415145 201325380 /nfs/dbraw/zinc/32/53/80/201325380.db2.gz WRNWCFZXJAEXDS-GXFFZTMASA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000436415147 201324256 /nfs/dbraw/zinc/32/42/56/201324256.db2.gz WRNWCFZXJAEXDS-MFKMUULPSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000436415152 201324101 /nfs/dbraw/zinc/32/41/01/201324101.db2.gz WRNWCFZXJAEXDS-ZWNOBZJWSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[N@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000437343652 201350375 /nfs/dbraw/zinc/35/03/75/201350375.db2.gz KVNRYFBNHYIRKH-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC=C(C)C1 ZINC000437345492 201352005 /nfs/dbraw/zinc/35/20/05/201352005.db2.gz LZGOHVBMFRYWEF-UHFFFAOYSA-N 1 0 246.310 3.055 20 5 BGBDRO CC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000445435167 388628375 /nfs/dbraw/zinc/62/83/75/388628375.db2.gz FHDUTROIBDYTOY-NEPJUHHUSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000445435168 388628250 /nfs/dbraw/zinc/62/82/50/388628250.db2.gz FHDUTROIBDYTOY-NWDGAFQWSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000445435169 200902541 /nfs/dbraw/zinc/90/25/41/200902541.db2.gz FHDUTROIBDYTOY-RYUDHWBXSA-N 1 0 248.326 3.388 20 5 BGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000445435170 388627942 /nfs/dbraw/zinc/62/79/42/388627942.db2.gz FHDUTROIBDYTOY-VXGBXAGGSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCCC1 ZINC000449063896 388746965 /nfs/dbraw/zinc/74/69/65/388746965.db2.gz OCSYSFHFSIZZEV-LLVKDONJSA-N 1 0 248.326 3.058 20 5 BGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCCC1 ZINC000449063903 388746441 /nfs/dbraw/zinc/74/64/41/388746441.db2.gz OCSYSFHFSIZZEV-NSHDSACASA-N 1 0 248.326 3.058 20 5 BGBDRO CC(C)=CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449277171 386696820 /nfs/dbraw/zinc/69/68/20/386696820.db2.gz DZNUGXPRNYLOSU-GFCCVEGCSA-N 1 0 248.326 3.082 20 5 BGBDRO CC(C)=CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449277172 386696315 /nfs/dbraw/zinc/69/63/15/386696315.db2.gz DZNUGXPRNYLOSU-LBPRGKRZSA-N 1 0 248.326 3.082 20 5 BGBDRO CCC1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000449346891 388748670 /nfs/dbraw/zinc/74/86/70/388748670.db2.gz DXPWCWQHLJLOLW-ZBOXLXRLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350344 388747753 /nfs/dbraw/zinc/74/77/53/388747753.db2.gz UZPPJWZXBANVAQ-COPLHBTASA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350345 201879011 /nfs/dbraw/zinc/87/90/11/201879011.db2.gz UZPPJWZXBANVAQ-MISXGVKJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350346 388747870 /nfs/dbraw/zinc/74/78/70/388747870.db2.gz UZPPJWZXBANVAQ-MJVIPROJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350347 388747549 /nfs/dbraw/zinc/74/75/49/388747549.db2.gz UZPPJWZXBANVAQ-WDMOLILDSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000449350898 201879715 /nfs/dbraw/zinc/87/97/15/201879715.db2.gz XVCLQUJMNAEKRR-PUHVVEEASA-N 1 0 248.326 3.290 20 5 BGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000449350899 388747809 /nfs/dbraw/zinc/74/78/09/388747809.db2.gz XVCLQUJMNAEKRR-ZHPDPMBESA-N 1 0 248.326 3.290 20 5 BGBDRO CCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449415864 388749235 /nfs/dbraw/zinc/74/92/35/388749235.db2.gz QVKVDUQIQQDEGE-ALCCZGGFSA-N 1 0 246.310 3.140 20 5 BGBDRO CC/C=C/C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449452066 388749771 /nfs/dbraw/zinc/74/97/71/388749771.db2.gz FDNQZQZKMGSQDK-BGDAGPKHSA-N 1 0 246.310 3.164 20 5 BGBDRO CC/C=C\C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449452067 388749521 /nfs/dbraw/zinc/74/95/21/388749521.db2.gz FDNQZQZKMGSQDK-LCXGFIBESA-N 1 0 246.310 3.164 20 5 BGBDRO CC/C=C\C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449452069 388749816 /nfs/dbraw/zinc/74/98/16/388749816.db2.gz FDNQZQZKMGSQDK-UATHGQSXSA-N 1 0 246.310 3.164 20 5 BGBDRO CC/C=C\C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449460736 388749782 /nfs/dbraw/zinc/74/97/82/388749782.db2.gz RVVUTIDUAFNDOP-DJFZKKHWSA-N 1 0 248.326 3.082 20 5 BGBDRO CC/C=C\C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449460737 388749648 /nfs/dbraw/zinc/74/96/48/388749648.db2.gz RVVUTIDUAFNDOP-KMSCOEIWSA-N 1 0 248.326 3.082 20 5 BGBDRO CC/C=C/C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449460738 388749589 /nfs/dbraw/zinc/74/95/89/388749589.db2.gz RVVUTIDUAFNDOP-NTYUQYKDSA-N 1 0 248.326 3.082 20 5 BGBDRO CC/C=C/C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449460739 384725809 /nfs/dbraw/zinc/72/58/09/384725809.db2.gz RVVUTIDUAFNDOP-RPTYSRGTSA-N 1 0 248.326 3.082 20 5 BGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449485646 388749561 /nfs/dbraw/zinc/74/95/61/388749561.db2.gz QWVRXRRUNVDHQI-YPMHNXCESA-N 1 0 248.326 3.039 20 5 BGBDRO CC(C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546721 385139226 /nfs/dbraw/zinc/13/92/26/385139226.db2.gz JMAUCAXBPXYVCH-CYBMUJFWSA-N 1 0 248.326 3.183 20 5 BGBDRO CC(C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546722 385137171 /nfs/dbraw/zinc/13/71/71/385137171.db2.gz JMAUCAXBPXYVCH-ZDUSSCGKSA-N 1 0 248.326 3.183 20 5 BGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452001171 384323312 /nfs/dbraw/zinc/32/33/12/384323312.db2.gz FKXWGPDHMIIVTF-LLVKDONJSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000452001172 384330446 /nfs/dbraw/zinc/33/04/46/384330446.db2.gz FKXWGPDHMIIVTF-NSHDSACASA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000452020440 384405595 /nfs/dbraw/zinc/40/55/95/384405595.db2.gz ZQRGFMNORIUZLV-LLVKDONJSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000452020441 384405339 /nfs/dbraw/zinc/40/53/39/384405339.db2.gz ZQRGFMNORIUZLV-NSHDSACASA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000452020442 384399190 /nfs/dbraw/zinc/39/91/90/384399190.db2.gz ZRPCQPQKZBREDT-LLVKDONJSA-N 1 0 248.326 3.358 20 5 BGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000452020443 384402471 /nfs/dbraw/zinc/40/24/71/384402471.db2.gz ZRPCQPQKZBREDT-NSHDSACASA-N 1 0 248.326 3.358 20 5 BGBDRO CCC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453287876 386727208 /nfs/dbraw/zinc/72/72/08/386727208.db2.gz KYTDYCBEWFDJGH-LLVKDONJSA-N 1 0 248.326 3.058 20 5 BGBDRO CCC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453287877 386731691 /nfs/dbraw/zinc/73/16/91/386731691.db2.gz KYTDYCBEWFDJGH-NSHDSACASA-N 1 0 248.326 3.058 20 5 BGBDRO CC[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000453585675 202779380 /nfs/dbraw/zinc/77/93/80/202779380.db2.gz QSJWQAQUSYSHRO-JATZPVMKSA-N 1 0 248.326 3.386 20 5 BGBDRO CC[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000453585676 202779839 /nfs/dbraw/zinc/77/98/39/202779839.db2.gz QSJWQAQUSYSHRO-KGTBHZDVSA-N 1 0 248.326 3.386 20 5 BGBDRO CC[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000453585677 202779692 /nfs/dbraw/zinc/77/96/92/202779692.db2.gz QSJWQAQUSYSHRO-NXIHDVOMSA-N 1 0 248.326 3.386 20 5 BGBDRO CC[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000453585678 202778864 /nfs/dbraw/zinc/77/88/64/202778864.db2.gz QSJWQAQUSYSHRO-OBIHZWKSSA-N 1 0 248.326 3.386 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC2(CCC2)C1 ZINC000459381215 203271736 /nfs/dbraw/zinc/27/17/36/203271736.db2.gz BSFBLGZLOJXYJF-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459474816 203286748 /nfs/dbraw/zinc/28/67/48/203286748.db2.gz ZAOYYGBSAQXTHR-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO CCC1(CC)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459575275 203305213 /nfs/dbraw/zinc/30/52/13/203305213.db2.gz BRCHYLDTOCWQRN-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC1(CC)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459592341 203309821 /nfs/dbraw/zinc/30/98/21/203309821.db2.gz HKQCHHSEXMRJGM-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CCC1(CC)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000459600091 203312285 /nfs/dbraw/zinc/31/22/85/203312285.db2.gz RVTQCIQXMUVEFR-UHFFFAOYSA-N 1 0 248.326 3.217 20 5 BGBDRO CC(C)(C)C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459631537 203323469 /nfs/dbraw/zinc/32/34/69/203323469.db2.gz CUCCUTJHJNQQMF-UHFFFAOYSA-N 1 0 248.326 3.073 20 5 BGBDRO CC(C)(C)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459632066 203323759 /nfs/dbraw/zinc/32/37/59/203323759.db2.gz DEULTWCENZWFEC-UHFFFAOYSA-N 1 0 248.326 3.073 20 5 BGBDRO CC(C)(C)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000459637158 203327209 /nfs/dbraw/zinc/32/72/09/203327209.db2.gz LDDQQVXWHZYGQI-UHFFFAOYSA-N 1 0 248.326 3.073 20 5 BGBDRO CCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459642086 203329619 /nfs/dbraw/zinc/32/96/19/203329619.db2.gz YSAWSBDTYRNUSI-UHFFFAOYSA-N 1 0 248.326 3.135 20 5 BGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000459722543 203341562 /nfs/dbraw/zinc/34/15/62/203341562.db2.gz BSFUYKMZMXWROU-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000459735814 203348033 /nfs/dbraw/zinc/34/80/33/203348033.db2.gz PSXLDUNBVQQKDJ-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459743134 203351496 /nfs/dbraw/zinc/35/14/96/203351496.db2.gz WJZIMIRAOQVZPI-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464837534 388737175 /nfs/dbraw/zinc/73/71/75/388737175.db2.gz LZXVKWSKNRTDRY-GRYCIOLGSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464837537 388736363 /nfs/dbraw/zinc/73/63/63/388736363.db2.gz LZXVKWSKNRTDRY-IJLUTSLNSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464838394 388736685 /nfs/dbraw/zinc/73/66/85/388736685.db2.gz VUOPQYWUYDTKIN-GRYCIOLGSA-N 1 0 248.326 3.244 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464838395 388737108 /nfs/dbraw/zinc/73/71/08/388737108.db2.gz VUOPQYWUYDTKIN-IJLUTSLNSA-N 1 0 248.326 3.244 20 5 BGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000468631904 527529365 /nfs/dbraw/zinc/52/93/65/527529365.db2.gz NSCAWGFGCSHIOR-FMIVXFBMSA-N 1 0 246.310 3.094 20 5 BGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000468632105 527500098 /nfs/dbraw/zinc/50/00/98/527500098.db2.gz NSCAWGFGCSHIOR-XFXZXTDPSA-N 1 0 246.310 3.094 20 5 BGBDRO CCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468636678 528553204 /nfs/dbraw/zinc/55/32/04/528553204.db2.gz CXDWKDCSLNXVFF-FMIVXFBMSA-N 1 0 248.326 3.388 20 5 BGBDRO CCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468636679 528553465 /nfs/dbraw/zinc/55/34/65/528553465.db2.gz CXDWKDCSLNXVFF-XFXZXTDPSA-N 1 0 248.326 3.388 20 5 BGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC1 ZINC000468655733 527528775 /nfs/dbraw/zinc/52/87/75/527528775.db2.gz OEGKIHHTIPCKEJ-DHZHZOJOSA-N 1 0 246.310 3.140 20 5 BGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC1 ZINC000468655734 527501666 /nfs/dbraw/zinc/50/16/66/527501666.db2.gz OEGKIHHTIPCKEJ-FLIBITNWSA-N 1 0 246.310 3.140 20 5 BGBDRO CC[NH+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470172772 528081952 /nfs/dbraw/zinc/08/19/52/528081952.db2.gz BXYULRNLBSGYKA-FMIVXFBMSA-N 1 0 248.326 3.340 20 5 BGBDRO CC[NH+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470172773 528080925 /nfs/dbraw/zinc/08/09/25/528080925.db2.gz BXYULRNLBSGYKA-XFXZXTDPSA-N 1 0 248.326 3.340 20 5 BGBDRO CCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470175043 527812589 /nfs/dbraw/zinc/81/25/89/527812589.db2.gz OQZYEPDIBVKAPB-FMIVXFBMSA-N 1 0 248.326 3.340 20 5 BGBDRO CCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470175044 527813250 /nfs/dbraw/zinc/81/32/50/527813250.db2.gz OQZYEPDIBVKAPB-XFXZXTDPSA-N 1 0 248.326 3.340 20 5 BGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C(C)C ZINC000470176248 527500156 /nfs/dbraw/zinc/50/01/56/527500156.db2.gz JTRRBTOBUBNWLD-WQLSENKSSA-N 1 0 248.326 3.338 20 5 BGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C(C)C ZINC000470176250 527528314 /nfs/dbraw/zinc/52/83/14/527528314.db2.gz JTRRBTOBUBNWLD-XYOKQWHBSA-N 1 0 248.326 3.338 20 5 BGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC1 ZINC000470177680 527528630 /nfs/dbraw/zinc/52/86/30/527528630.db2.gz TXODPWSSUPIMMT-DHZHZOJOSA-N 1 0 246.310 3.092 20 5 BGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CC1 ZINC000470177681 527499864 /nfs/dbraw/zinc/49/98/64/527499864.db2.gz TXODPWSSUPIMMT-FLIBITNWSA-N 1 0 246.310 3.092 20 5 BGBDRO CCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000472861705 528368070 /nfs/dbraw/zinc/36/80/70/528368070.db2.gz XDXYAPTUFAQHKO-LLVKDONJSA-N 1 0 236.315 3.388 20 5 BGBDRO CCCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000472861709 528368146 /nfs/dbraw/zinc/36/81/46/528368146.db2.gz XDXYAPTUFAQHKO-NSHDSACASA-N 1 0 236.315 3.388 20 5 BGBDRO CC(C)=CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000480286305 527443832 /nfs/dbraw/zinc/44/38/32/527443832.db2.gz PADHCNPPLYZGRH-ALCCZGGFSA-N 1 0 246.310 3.164 20 5 BGBDRO CC(C)=CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000480301933 527407384 /nfs/dbraw/zinc/40/73/84/527407384.db2.gz QZAJDARFWZQVSS-UHFFFAOYSA-N 1 0 248.326 3.349 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000487951714 225334125 /nfs/dbraw/zinc/33/41/25/225334125.db2.gz PUQSIWOATMJHSX-NWDGAFQWSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000487951716 225334937 /nfs/dbraw/zinc/33/49/37/225334937.db2.gz PUQSIWOATMJHSX-VXGBXAGGSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000488016602 225343408 /nfs/dbraw/zinc/34/34/08/225343408.db2.gz KHLVXPDJPDVATE-GFCCVEGCSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000488016603 225342156 /nfs/dbraw/zinc/34/21/56/225342156.db2.gz KHLVXPDJPDVATE-LBPRGKRZSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC000488060661 225345542 /nfs/dbraw/zinc/34/55/42/225345542.db2.gz JHFUMBGFZUYWFC-LLVKDONJSA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC000488060662 225345883 /nfs/dbraw/zinc/34/58/83/225345883.db2.gz JHFUMBGFZUYWFC-NSHDSACASA-N 1 0 248.326 3.388 20 5 BGBDRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000488511997 388579948 /nfs/dbraw/zinc/57/99/48/388579948.db2.gz FBZNFFKNVMPRRX-GHMZBOCLSA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000488511998 388579799 /nfs/dbraw/zinc/57/97/99/388579799.db2.gz FBZNFFKNVMPRRX-MNOVXSKESA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000488511999 388579738 /nfs/dbraw/zinc/57/97/38/388579738.db2.gz FBZNFFKNVMPRRX-QWRGUYRKSA-N 1 0 248.326 3.076 20 5 BGBDRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000488512000 388579476 /nfs/dbraw/zinc/57/94/76/388579476.db2.gz FBZNFFKNVMPRRX-WDEREUQCSA-N 1 0 248.326 3.076 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000489096932 388676486 /nfs/dbraw/zinc/67/64/86/388676486.db2.gz MGTSXESJHHXRTB-CMPLNLGQSA-N 1 0 248.326 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000489096933 323012890 /nfs/dbraw/zinc/01/28/90/323012890.db2.gz MGTSXESJHHXRTB-JQWIXIFHSA-N 1 0 248.326 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000489096937 323012887 /nfs/dbraw/zinc/01/28/87/323012887.db2.gz MGTSXESJHHXRTB-PWSUYJOCSA-N 1 0 248.326 3.306 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000489096940 323012810 /nfs/dbraw/zinc/01/28/10/323012810.db2.gz MGTSXESJHHXRTB-ZYHUDNBSSA-N 1 0 248.326 3.306 20 5 BGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489843220 388841494 /nfs/dbraw/zinc/84/14/94/388841494.db2.gz MDRYZSBZLSIBJS-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000489864149 388575894 /nfs/dbraw/zinc/57/58/94/388575894.db2.gz UXKPXGXEBIHPIX-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000489877057 529995422 /nfs/dbraw/zinc/99/54/22/529995422.db2.gz WKNWGFDQOZFVQL-UHFFFAOYSA-N 1 0 248.326 3.359 20 5 BGBDRO CC(C)=CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492112866 527443371 /nfs/dbraw/zinc/44/33/71/527443371.db2.gz XPJGZVAJXRPRHP-UHFFFAOYSA-N 1 0 248.326 3.386 20 5 BGBDRO CC(C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506458727 527914001 /nfs/dbraw/zinc/91/40/01/527914001.db2.gz FNLDAMRIVQAKDJ-SOFGYWHQSA-N 1 0 248.326 3.196 20 5 BGBDRO CC(C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506458728 527914872 /nfs/dbraw/zinc/91/48/72/527914872.db2.gz FNLDAMRIVQAKDJ-VURMDHGXSA-N 1 0 248.326 3.196 20 5 BGBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678545 384235602 /nfs/dbraw/zinc/23/56/02/384235602.db2.gz OVNAMYABNHKMIJ-KBPBESRZSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678546 527811760 /nfs/dbraw/zinc/81/17/60/527811760.db2.gz OVNAMYABNHKMIJ-KGLIPLIRSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678547 384235053 /nfs/dbraw/zinc/23/50/53/384235053.db2.gz OVNAMYABNHKMIJ-UONOGXRCSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678548 384236979 /nfs/dbraw/zinc/23/69/79/384236979.db2.gz OVNAMYABNHKMIJ-ZIAGYGMSSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698020 262916420 /nfs/dbraw/zinc/91/64/20/262916420.db2.gz VNKXDCULHBJWHL-STQMWFEESA-N 1 0 248.326 3.119 20 5 BGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517375290 384664398 /nfs/dbraw/zinc/66/43/98/384664398.db2.gz MCTLUPDRPVIQFW-CLFYSBASSA-N 1 0 248.326 3.338 20 5 BGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000517375291 384663924 /nfs/dbraw/zinc/66/39/24/384663924.db2.gz MCTLUPDRPVIQFW-VQHVLOKHSA-N 1 0 248.326 3.338 20 5 BGBDRO CC(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519640922 398311475 /nfs/dbraw/zinc/31/14/75/398311475.db2.gz FDNXGKLDQYQMDD-CYBMUJFWSA-N 1 0 248.326 3.218 20 5 BGBDRO CC(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519640925 398311624 /nfs/dbraw/zinc/31/16/24/398311624.db2.gz FDNXGKLDQYQMDD-ZDUSSCGKSA-N 1 0 248.326 3.218 20 5 BGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCCC1 ZINC000522014667 384891578 /nfs/dbraw/zinc/89/15/78/384891578.db2.gz SBJQZGAHTCFOKG-CYBMUJFWSA-N 1 0 246.310 3.114 20 5 BGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCCC1 ZINC000522014668 384889932 /nfs/dbraw/zinc/88/99/32/384889932.db2.gz SBJQZGAHTCFOKG-ZDUSSCGKSA-N 1 0 246.310 3.114 20 5 BGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000523439383 324207145 /nfs/dbraw/zinc/20/71/45/324207145.db2.gz XTNSQHGQXLCORZ-UHFFFAOYSA-N 1 0 248.326 3.278 20 5 BGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000524597522 388679528 /nfs/dbraw/zinc/67/95/28/388679528.db2.gz DRZTYMLKKRQQAJ-UHFFFAOYSA-N 1 0 248.326 3.012 20 5 BGBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000525411448 388680832 /nfs/dbraw/zinc/68/08/32/388680832.db2.gz RHZCASXMWBLLJQ-GHMZBOCLSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000525411451 388680783 /nfs/dbraw/zinc/68/07/83/388680783.db2.gz RHZCASXMWBLLJQ-MNOVXSKESA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000525411453 388680837 /nfs/dbraw/zinc/68/08/37/388680837.db2.gz RHZCASXMWBLLJQ-QWRGUYRKSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1c(C[N@@H+]2C[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000525411454 259702999 /nfs/dbraw/zinc/70/29/99/259702999.db2.gz RHZCASXMWBLLJQ-WDEREUQCSA-N 1 0 248.326 3.134 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC000525788384 259397846 /nfs/dbraw/zinc/39/78/46/259397846.db2.gz WZYUULWGBBHTBC-UNXYVOJBSA-N 1 0 246.310 3.283 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC000525788385 259397876 /nfs/dbraw/zinc/39/78/76/259397876.db2.gz WZYUULWGBBHTBC-VOMCLLRMSA-N 1 0 246.310 3.283 20 5 BGBDRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000525996770 388683396 /nfs/dbraw/zinc/68/33/96/388683396.db2.gz HMIJOZCUVOXHGN-LWSHCTJVSA-N 1 0 246.310 3.091 20 5 BGBDRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000525996772 388683362 /nfs/dbraw/zinc/68/33/62/388683362.db2.gz HMIJOZCUVOXHGN-ONYUAGEFSA-N 1 0 246.310 3.091 20 5 BGBDRO CC1(C)CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000526121272 370586288 /nfs/dbraw/zinc/58/62/88/370586288.db2.gz SALAGXATRUGJBA-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO CC1(C)CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000527363483 388698361 /nfs/dbraw/zinc/69/83/61/388698361.db2.gz OVUIZPITNVCBCB-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO CC(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000531781266 323113289 /nfs/dbraw/zinc/11/32/89/323113289.db2.gz QVQMQSZKJGTJGB-CYBMUJFWSA-N 1 0 248.326 3.073 20 5 BGBDRO CC(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000531781267 323113232 /nfs/dbraw/zinc/11/32/32/323113232.db2.gz QVQMQSZKJGTJGB-ZDUSSCGKSA-N 1 0 248.326 3.073 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCC1 ZINC000532205131 323208646 /nfs/dbraw/zinc/20/86/46/323208646.db2.gz TVFMKQWHXMEQNP-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCC1 ZINC000532205142 323208665 /nfs/dbraw/zinc/20/86/65/323208665.db2.gz TVFMKQWHXMEQNP-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000532293515 323213887 /nfs/dbraw/zinc/21/38/87/323213887.db2.gz LYIOMJIRGYKDLY-CYBMUJFWSA-N 1 0 248.326 3.073 20 5 BGBDRO CC(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000532293516 323214132 /nfs/dbraw/zinc/21/41/32/323214132.db2.gz LYIOMJIRGYKDLY-ZDUSSCGKSA-N 1 0 248.326 3.073 20 5 BGBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000533357989 388724893 /nfs/dbraw/zinc/72/48/93/388724893.db2.gz CDRLTCUAYNWXQH-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000533489633 388724667 /nfs/dbraw/zinc/72/46/67/388724667.db2.gz AZMZNYSEUIYUAG-UHFFFAOYSA-N 1 0 248.326 3.215 20 5 BGBDRO Cc1ccc(C[NH+]2C3CCC2CC3)cc1[N+](=O)[O-] ZINC000535780240 323191287 /nfs/dbraw/zinc/19/12/87/323191287.db2.gz CRNHEKFGIOZJBN-UHFFFAOYSA-N 1 0 246.310 3.030 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000536878675 384764429 /nfs/dbraw/zinc/76/44/29/384764429.db2.gz UNMOEKGQSIGEQE-CKBZRRDASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000536878686 323781969 /nfs/dbraw/zinc/78/19/69/323781969.db2.gz UNMOEKGQSIGEQE-ZYXZCXLHSA-N 1 0 248.326 3.352 20 5 BGBDRO CCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000537295200 324062673 /nfs/dbraw/zinc/06/26/73/324062673.db2.gz KDTRLUWRWKHWAY-CLFYSBASSA-N 1 0 248.326 3.386 20 5 BGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537449870 324072631 /nfs/dbraw/zinc/07/26/31/324072631.db2.gz LZUJZBKRAGUSGS-JTQLQIEISA-N 1 0 246.310 3.188 20 5 BGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000537449883 324072552 /nfs/dbraw/zinc/07/25/52/324072552.db2.gz LZUJZBKRAGUSGS-SNVBAGLBSA-N 1 0 246.310 3.188 20 5 BGBDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000537635875 324091205 /nfs/dbraw/zinc/09/12/05/324091205.db2.gz BYTLXIRTJGKCCN-CMPLNLGQSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000537635876 324091135 /nfs/dbraw/zinc/09/11/35/324091135.db2.gz BYTLXIRTJGKCCN-JQWIXIFHSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000537635877 324091815 /nfs/dbraw/zinc/09/18/15/324091815.db2.gz BYTLXIRTJGKCCN-PWSUYJOCSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000537635878 324091048 /nfs/dbraw/zinc/09/10/48/324091048.db2.gz BYTLXIRTJGKCCN-ZYHUDNBSSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@H]1C ZINC000537918633 324440907 /nfs/dbraw/zinc/44/09/07/324440907.db2.gz BZINMCZTDFCBCW-GRYCIOLGSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]1C ZINC000537918634 324440743 /nfs/dbraw/zinc/44/07/43/324440743.db2.gz BZINMCZTDFCBCW-SDDRHHMPSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C ZINC000537918635 384222918 /nfs/dbraw/zinc/22/29/18/384222918.db2.gz BZINMCZTDFCBCW-SRVKXCTJSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C ZINC000537918636 384223140 /nfs/dbraw/zinc/22/31/40/384223140.db2.gz BZINMCZTDFCBCW-WOPDTQHZSA-N 1 0 248.326 3.210 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC1 ZINC000537980638 384239727 /nfs/dbraw/zinc/23/97/27/384239727.db2.gz GQFALJDZFVHXKA-JTQLQIEISA-N 1 0 234.299 3.106 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC1 ZINC000537980639 398190283 /nfs/dbraw/zinc/19/02/83/398190283.db2.gz GQFALJDZFVHXKA-SNVBAGLBSA-N 1 0 234.299 3.106 20 5 BGBDRO CC1(C)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538737793 384731716 /nfs/dbraw/zinc/73/17/16/384731716.db2.gz CNOMWUIEFXOORX-ALCCZGGFSA-N 1 0 246.310 3.092 20 5 BGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000539656544 324851213 /nfs/dbraw/zinc/85/12/13/324851213.db2.gz AZPNTHAZZNVERZ-JTQLQIEISA-N 1 0 246.310 3.188 20 5 BGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000539656545 384991475 /nfs/dbraw/zinc/99/14/75/384991475.db2.gz AZPNTHAZZNVERZ-SNVBAGLBSA-N 1 0 246.310 3.188 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000540184827 385064059 /nfs/dbraw/zinc/06/40/59/385064059.db2.gz WXXLXDZETCKBFP-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000540184832 324890288 /nfs/dbraw/zinc/89/02/88/324890288.db2.gz WXXLXDZETCKBFP-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C1CC1 ZINC000541776508 385713070 /nfs/dbraw/zinc/71/30/70/385713070.db2.gz VECMDHCZEGCVIE-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C2CCC1CC2 ZINC000542703764 325043065 /nfs/dbraw/zinc/04/30/65/325043065.db2.gz VREFIGYUFMZILD-UHFFFAOYSA-N 1 0 246.310 3.030 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C)CCCC1 ZINC000543629108 325098614 /nfs/dbraw/zinc/09/86/14/325098614.db2.gz GWUGJZHNCIURFE-UHFFFAOYSA-N 1 0 248.326 3.326 20 5 BGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000544413766 325142309 /nfs/dbraw/zinc/14/23/09/325142309.db2.gz LHTYWNGOXKBMEM-JTQLQIEISA-N 1 0 246.310 3.188 20 5 BGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000544413767 325142020 /nfs/dbraw/zinc/14/20/20/325142020.db2.gz LHTYWNGOXKBMEM-SNVBAGLBSA-N 1 0 246.310 3.188 20 5 BGBDRO CC1(C)CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000548045412 387594808 /nfs/dbraw/zinc/59/48/08/387594808.db2.gz ARVAGHTZNKGDOL-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424936 388359296 /nfs/dbraw/zinc/35/92/96/388359296.db2.gz FBWXWUULQFAFBK-GRYCIOLGSA-N 1 0 248.326 3.447 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548424938 388359207 /nfs/dbraw/zinc/35/92/07/388359207.db2.gz FBWXWUULQFAFBK-SRVKXCTJSA-N 1 0 248.326 3.447 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424940 388359237 /nfs/dbraw/zinc/35/92/37/388359237.db2.gz FBWXWUULQFAFBK-TUAOUCFPSA-N 1 0 248.326 3.447 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1[C@H](C)C[C@H]1C ZINC000548424942 388358667 /nfs/dbraw/zinc/35/86/67/388358667.db2.gz FBWXWUULQFAFBK-UTUOFQBUSA-N 1 0 248.326 3.447 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548426157 388358934 /nfs/dbraw/zinc/35/89/34/388358934.db2.gz WUQNKPLFZOSPNK-AXFHLTTASA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548426158 388359341 /nfs/dbraw/zinc/35/93/41/388359341.db2.gz WUQNKPLFZOSPNK-GMTAPVOTSA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548426159 325456992 /nfs/dbraw/zinc/45/69/92/325456992.db2.gz WUQNKPLFZOSPNK-MXWKQRLJSA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548426160 388359178 /nfs/dbraw/zinc/35/91/78/388359178.db2.gz WUQNKPLFZOSPNK-OUAUKWLOSA-N 1 0 234.299 3.139 20 5 BGBDRO CCC[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783597 324222807 /nfs/dbraw/zinc/22/28/07/324222807.db2.gz CCJQLSZATRUTTF-LLVKDONJSA-N 1 0 248.326 3.142 20 5 BGBDRO CCC[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548783601 324223107 /nfs/dbraw/zinc/22/31/07/324223107.db2.gz CCJQLSZATRUTTF-NSHDSACASA-N 1 0 248.326 3.142 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000549923876 388411012 /nfs/dbraw/zinc/41/10/12/388411012.db2.gz NEOOAXXVZIOKTC-SRVKXCTJSA-N 1 0 248.326 3.304 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C ZINC000549923877 388410512 /nfs/dbraw/zinc/41/05/12/388410512.db2.gz NEOOAXXVZIOKTC-TUAOUCFPSA-N 1 0 248.326 3.304 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000549923878 388410789 /nfs/dbraw/zinc/41/07/89/388410789.db2.gz NEOOAXXVZIOKTC-UTUOFQBUSA-N 1 0 248.326 3.304 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000549923879 388411129 /nfs/dbraw/zinc/41/11/29/388411129.db2.gz NEOOAXXVZIOKTC-WOPDTQHZSA-N 1 0 248.326 3.304 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000552074671 388573014 /nfs/dbraw/zinc/57/30/14/388573014.db2.gz XCEWWIXEHIFKFL-CDMKHQONSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000552074672 325594337 /nfs/dbraw/zinc/59/43/37/325594337.db2.gz XCEWWIXEHIFKFL-GAFUQQFSSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000552074673 322866735 /nfs/dbraw/zinc/86/67/35/322866735.db2.gz XCEWWIXEHIFKFL-SUZMYJTESA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000552074674 322866671 /nfs/dbraw/zinc/86/66/71/322866671.db2.gz XCEWWIXEHIFKFL-XHVZSJERSA-N 1 0 248.326 3.352 20 5 BGBDRO CC(C)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000553771639 388602698 /nfs/dbraw/zinc/60/26/98/388602698.db2.gz BZETXMZIVOMIFT-UHFFFAOYSA-N 1 0 236.315 3.119 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554345117 325715253 /nfs/dbraw/zinc/71/52/53/325715253.db2.gz HHKRYYPGEKWFSS-GYSYKLTISA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554345119 388622237 /nfs/dbraw/zinc/62/22/37/388622237.db2.gz HHKRYYPGEKWFSS-JTNHKYCSSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554345121 325715247 /nfs/dbraw/zinc/71/52/47/325715247.db2.gz HHKRYYPGEKWFSS-MISXGVKJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000554345122 388621083 /nfs/dbraw/zinc/62/10/83/388621083.db2.gz HHKRYYPGEKWFSS-WDMOLILDSA-N 1 0 248.326 3.434 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000556440494 384386139 /nfs/dbraw/zinc/38/61/39/384386139.db2.gz GSQJJFBITYIKMY-QWRGUYRKSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000556440495 388358852 /nfs/dbraw/zinc/35/88/52/388358852.db2.gz GSQJJFBITYIKMY-WDEREUQCSA-N 1 0 248.326 3.352 20 5 BGBDRO CCC1CC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000556583782 388364627 /nfs/dbraw/zinc/36/46/27/388364627.db2.gz LYPXQBXNLZQXTI-UNXYVOJBSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1CC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000556583783 388364845 /nfs/dbraw/zinc/36/48/45/388364845.db2.gz LYPXQBXNLZQXTI-VOMCLLRMSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556586407 388364924 /nfs/dbraw/zinc/36/49/24/388364924.db2.gz TURZXUKOEDPBTM-XSRFYTQQSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000556586409 322916716 /nfs/dbraw/zinc/91/67/16/322916716.db2.gz TURZXUKOEDPBTM-ZBOXLXRLSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000558273019 343884176 /nfs/dbraw/zinc/88/41/76/343884176.db2.gz MHJNRPXCEFAJIT-DMDPSCGWSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000558273021 343884514 /nfs/dbraw/zinc/88/45/14/343884514.db2.gz MHJNRPXCEFAJIT-LOWVWBTDSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000558273023 343884593 /nfs/dbraw/zinc/88/45/93/343884593.db2.gz MHJNRPXCEFAJIT-NQBHXWOUSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000558273026 343884321 /nfs/dbraw/zinc/88/43/21/343884321.db2.gz MHJNRPXCEFAJIT-WZRBSPASSA-N 1 0 248.326 3.434 20 5 BGBDRO CCC1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563419160 323123773 /nfs/dbraw/zinc/12/37/73/323123773.db2.gz SZPVTMYQKRQBFP-GFCCVEGCSA-N 1 0 246.310 3.114 20 5 BGBDRO CCC1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563419161 323123784 /nfs/dbraw/zinc/12/37/84/323123784.db2.gz SZPVTMYQKRQBFP-LBPRGKRZSA-N 1 0 246.310 3.114 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)C[C@@H]1C ZINC000564388689 385538852 /nfs/dbraw/zinc/53/88/52/385538852.db2.gz CPDKIKVRZZQWBF-AXFHLTTASA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)C[C@H]1C ZINC000564388701 385541115 /nfs/dbraw/zinc/54/11/15/385541115.db2.gz CPDKIKVRZZQWBF-GMTAPVOTSA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)C[C@H]1C ZINC000564388702 385541352 /nfs/dbraw/zinc/54/13/52/385541352.db2.gz CPDKIKVRZZQWBF-MXWKQRLJSA-N 1 0 234.299 3.139 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)C[C@@H]1C ZINC000564388704 385539841 /nfs/dbraw/zinc/53/98/41/385539841.db2.gz CPDKIKVRZZQWBF-OUAUKWLOSA-N 1 0 234.299 3.139 20 5 BGBDRO CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217562 325877900 /nfs/dbraw/zinc/87/79/00/325877900.db2.gz MGGJZYQLFXCAMX-GFCCVEGCSA-N 1 0 248.326 3.218 20 5 BGBDRO CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217564 384619603 /nfs/dbraw/zinc/61/96/03/384619603.db2.gz MGGJZYQLFXCAMX-LBPRGKRZSA-N 1 0 248.326 3.218 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000565683865 384681601 /nfs/dbraw/zinc/68/16/01/384681601.db2.gz PBSHMKXSWNDSLW-CMPLNLGQSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000565683866 384681911 /nfs/dbraw/zinc/68/19/11/384681911.db2.gz PBSHMKXSWNDSLW-JQWIXIFHSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000565683867 384681845 /nfs/dbraw/zinc/68/18/45/384681845.db2.gz PBSHMKXSWNDSLW-PWSUYJOCSA-N 1 0 248.326 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000565683868 384681079 /nfs/dbraw/zinc/68/10/79/384681079.db2.gz PBSHMKXSWNDSLW-ZYHUDNBSSA-N 1 0 248.326 3.134 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000566500641 326059631 /nfs/dbraw/zinc/05/96/31/326059631.db2.gz PBMZKTBYZLKSTI-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000566500644 326059786 /nfs/dbraw/zinc/05/97/86/326059786.db2.gz PBMZKTBYZLKSTI-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO CCC1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000567015446 326101580 /nfs/dbraw/zinc/10/15/80/326101580.db2.gz HWOASBVBGJJPAT-LLVKDONJSA-N 1 0 248.326 3.496 20 5 BGBDRO CCC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000567015447 326101907 /nfs/dbraw/zinc/10/19/07/326101907.db2.gz HWOASBVBGJJPAT-NSHDSACASA-N 1 0 248.326 3.496 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000568968698 326384027 /nfs/dbraw/zinc/38/40/27/326384027.db2.gz QZSYAPGVQSMNHS-COPLHBTASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000568968702 326383878 /nfs/dbraw/zinc/38/38/78/326383878.db2.gz QZSYAPGVQSMNHS-MJVIPROJSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000568968704 326384000 /nfs/dbraw/zinc/38/40/00/326384000.db2.gz QZSYAPGVQSMNHS-SUNKGSAMSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000568968705 326383962 /nfs/dbraw/zinc/38/39/62/326383962.db2.gz QZSYAPGVQSMNHS-UHIISALHSA-N 1 0 248.326 3.352 20 5 BGBDRO CC(C)=CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569354826 385984253 /nfs/dbraw/zinc/98/42/53/385984253.db2.gz XROMENYVMVFGGV-CYBMUJFWSA-N 1 0 246.310 3.138 20 5 BGBDRO CC(C)=CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569354827 385983928 /nfs/dbraw/zinc/98/39/28/385983928.db2.gz XROMENYVMVFGGV-ZDUSSCGKSA-N 1 0 246.310 3.138 20 5 BGBDRO CC(C)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000569394369 322965269 /nfs/dbraw/zinc/96/52/69/322965269.db2.gz SUWWSKWKSSNUDC-UHFFFAOYSA-N 1 0 236.315 3.119 20 5 BGBDRO Cc1c(C[N@@H+](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000570679971 323066621 /nfs/dbraw/zinc/06/66/21/323066621.db2.gz FBNRRPXGUVBZPF-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC(C)(C)C1 ZINC000572135988 323550162 /nfs/dbraw/zinc/55/01/62/323550162.db2.gz SIFANQLPDDWTHE-UHFFFAOYSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C(C)(C)C ZINC000575803877 365368623 /nfs/dbraw/zinc/36/86/23/365368623.db2.gz QNSRXYJORYMANY-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000576242272 365534558 /nfs/dbraw/zinc/53/45/58/365534558.db2.gz TYRKWMMHLKNZOP-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC12CC2 ZINC000576242273 365535104 /nfs/dbraw/zinc/53/51/04/365535104.db2.gz TYRKWMMHLKNZOP-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC12CC2 ZINC000577171595 365854713 /nfs/dbraw/zinc/85/47/13/365854713.db2.gz WIASYEPGVMMYOB-GWCFXTLKSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC12CC2 ZINC000577171596 365853871 /nfs/dbraw/zinc/85/38/71/365853871.db2.gz WIASYEPGVMMYOB-GXFFZTMASA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC12CC2 ZINC000577171597 365854688 /nfs/dbraw/zinc/85/46/88/365854688.db2.gz WIASYEPGVMMYOB-MFKMUULPSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC12CC2 ZINC000577171598 365854561 /nfs/dbraw/zinc/85/45/61/365854561.db2.gz WIASYEPGVMMYOB-ZWNOBZJWSA-N 1 0 246.310 3.106 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000580398854 357275153 /nfs/dbraw/zinc/27/51/53/357275153.db2.gz GSQJJFBITYIKMY-GHMZBOCLSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000580398855 357275328 /nfs/dbraw/zinc/27/53/28/357275328.db2.gz GSQJJFBITYIKMY-MNOVXSKESA-N 1 0 248.326 3.352 20 5 BGBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000580722805 359565435 /nfs/dbraw/zinc/56/54/35/359565435.db2.gz GERVMRSTYZZMAE-UHFFFAOYSA-N 1 0 236.315 3.215 20 5 BGBDRO Cc1ccc(C[N@@H+](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000581825268 367833740 /nfs/dbraw/zinc/83/37/40/367833740.db2.gz KUDULJYJBNINBB-UHFFFAOYSA-N 1 0 236.315 3.134 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000590956188 347594124 /nfs/dbraw/zinc/59/41/24/347594124.db2.gz KMFJFRPBQITSOX-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO C[N@H+](CC1=CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000592059140 347732242 /nfs/dbraw/zinc/73/22/42/347732242.db2.gz NUSYYTILWYNRPK-UHFFFAOYSA-N 1 0 246.310 3.137 20 5 BGBDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000592098227 347733452 /nfs/dbraw/zinc/73/34/52/347733452.db2.gz MYPUYPUMKSTLAQ-LLVKDONJSA-N 1 0 246.310 3.356 20 5 BGBDRO C[C@H]([NH2+]CC1=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000592098229 347733172 /nfs/dbraw/zinc/73/31/72/347733172.db2.gz MYPUYPUMKSTLAQ-NSHDSACASA-N 1 0 246.310 3.356 20 5 BGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000593038732 347843409 /nfs/dbraw/zinc/84/34/09/347843409.db2.gz JXUCGEBHBQQDDA-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC12CCCC2 ZINC000593039405 347843329 /nfs/dbraw/zinc/84/33/29/347843329.db2.gz PEEPPAIYDSYNNA-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC23CCCC3)c1 ZINC000593039554 347843188 /nfs/dbraw/zinc/84/31/88/347843188.db2.gz QZWUXSSRYKFWMC-UHFFFAOYSA-N 1 0 246.310 3.113 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593079730 347851019 /nfs/dbraw/zinc/85/10/19/347851019.db2.gz GQFRZMXFWVDFCF-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000593080449 347850955 /nfs/dbraw/zinc/85/09/55/347850955.db2.gz MVUUKQMCBKCHDE-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(C2CCC2)CC1 ZINC000593084174 347851947 /nfs/dbraw/zinc/85/19/47/347851947.db2.gz NVQCEDNPNAEESE-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000594023448 347991404 /nfs/dbraw/zinc/99/14/04/347991404.db2.gz LFFVNEXLTRPSHL-UHFFFAOYSA-N 1 0 242.344 3.277 20 5 BGBDRO CCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492528 348062683 /nfs/dbraw/zinc/06/26/83/348062683.db2.gz PBSPFAXYWHMXIJ-GWCFXTLKSA-N 1 0 248.326 3.360 20 5 BGBDRO CCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492529 348062432 /nfs/dbraw/zinc/06/24/32/348062432.db2.gz PBSPFAXYWHMXIJ-GXFFZTMASA-N 1 0 248.326 3.360 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492530 348062801 /nfs/dbraw/zinc/06/28/01/348062801.db2.gz PBSPFAXYWHMXIJ-MFKMUULPSA-N 1 0 248.326 3.360 20 5 BGBDRO CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492531 348062592 /nfs/dbraw/zinc/06/25/92/348062592.db2.gz PBSPFAXYWHMXIJ-ZWNOBZJWSA-N 1 0 248.326 3.360 20 5 BGBDRO CCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492532 348062475 /nfs/dbraw/zinc/06/24/75/348062475.db2.gz PJZXKCRPTFSSIE-CYBMUJFWSA-N 1 0 248.326 3.362 20 5 BGBDRO CCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492533 348062721 /nfs/dbraw/zinc/06/27/21/348062721.db2.gz PJZXKCRPTFSSIE-ZDUSSCGKSA-N 1 0 248.326 3.362 20 5 BGBDRO CC/C=C\C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505892 348064835 /nfs/dbraw/zinc/06/48/35/348064835.db2.gz DZPGBHZNVFOBJC-DHCBQETCSA-N 1 0 246.310 3.138 20 5 BGBDRO CC/C=C/C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505913 348064653 /nfs/dbraw/zinc/06/46/53/348064653.db2.gz DZPGBHZNVFOBJC-ITDFMYJTSA-N 1 0 246.310 3.138 20 5 BGBDRO CC/C=C/C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505914 348064814 /nfs/dbraw/zinc/06/48/14/348064814.db2.gz DZPGBHZNVFOBJC-OOPCZODUSA-N 1 0 246.310 3.138 20 5 BGBDRO CC/C=C\C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505915 348064827 /nfs/dbraw/zinc/06/48/27/348064827.db2.gz DZPGBHZNVFOBJC-SCOBNMCVSA-N 1 0 246.310 3.138 20 5 BGBDRO Cc1ccc(C[NH2+]C2(C)CC=CC2)cc1[N+](=O)[O-] ZINC000594508453 348064684 /nfs/dbraw/zinc/06/46/84/348064684.db2.gz BXVWTCABIQEHJP-UHFFFAOYSA-N 1 0 246.310 3.102 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C)CC=CC1 ZINC000594509858 348065439 /nfs/dbraw/zinc/06/54/39/348065439.db2.gz IMHQFEKAIMZWRS-UHFFFAOYSA-N 1 0 246.310 3.102 20 5 BGBDRO CC[C@@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594969690 348162037 /nfs/dbraw/zinc/16/20/37/348162037.db2.gz YNONSCOZSLZKRZ-SECBINFHSA-N 1 0 242.344 3.182 20 5 BGBDRO CC[C@H](C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594969692 348161998 /nfs/dbraw/zinc/16/19/98/348161998.db2.gz YNONSCOZSLZKRZ-VIFPVBQESA-N 1 0 242.344 3.182 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCC2)cc1 ZINC000594976363 348163273 /nfs/dbraw/zinc/16/32/73/348163273.db2.gz AVGMVLVDEXLBKO-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC[C@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594978401 348163278 /nfs/dbraw/zinc/16/32/78/348163278.db2.gz AUZDCJNPQQCJLP-AWEZNQCLSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@](C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594978402 348163356 /nfs/dbraw/zinc/16/33/56/348163356.db2.gz AUZDCJNPQQCJLP-CQSZACIVSA-N 1 0 248.326 3.263 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCC2CCC2)c1 ZINC000594978609 348163403 /nfs/dbraw/zinc/16/34/03/348163403.db2.gz SUHLPUWUCNYJQQ-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCC1CCC1 ZINC000594978824 348163520 /nfs/dbraw/zinc/16/35/20/348163520.db2.gz XCEJYABPBWQRQH-UHFFFAOYSA-N 1 0 248.326 3.265 20 5 BGBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594979602 348163690 /nfs/dbraw/zinc/16/36/90/348163690.db2.gz KNETTYPBCWSRJH-AWEZNQCLSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594979604 348163503 /nfs/dbraw/zinc/16/35/03/348163503.db2.gz KNETTYPBCWSRJH-CQSZACIVSA-N 1 0 248.326 3.263 20 5 BGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000594980014 348163610 /nfs/dbraw/zinc/16/36/10/348163610.db2.gz OWMZNELSVVDDJG-AWEZNQCLSA-N 1 0 248.326 3.181 20 5 BGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000594980015 348163337 /nfs/dbraw/zinc/16/33/37/348163337.db2.gz OWMZNELSVVDDJG-CQSZACIVSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+]CC2=CCCC2)cc1[N+](=O)[O-] ZINC000594988721 348167106 /nfs/dbraw/zinc/16/71/06/348167106.db2.gz CLDRDNBYFOEYOE-UHFFFAOYSA-N 1 0 246.310 3.103 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1=CCCC1 ZINC000594990556 348167100 /nfs/dbraw/zinc/16/71/00/348167100.db2.gz SEEPHMZJPQQMGM-UHFFFAOYSA-N 1 0 246.310 3.103 20 5 BGBDRO Cc1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594993879 348167736 /nfs/dbraw/zinc/16/77/36/348167736.db2.gz ABINUKPCOCVMHO-AWEZNQCLSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594993880 348167946 /nfs/dbraw/zinc/16/79/46/348167946.db2.gz ABINUKPCOCVMHO-CQSZACIVSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CC1(C)C ZINC000594996488 348168706 /nfs/dbraw/zinc/16/87/06/348168706.db2.gz NULGAYDTGUBFSZ-AWEZNQCLSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CC1(C)C ZINC000594996490 348168439 /nfs/dbraw/zinc/16/84/39/348168439.db2.gz NULGAYDTGUBFSZ-CQSZACIVSA-N 1 0 248.326 3.181 20 5 BGBDRO CC(C)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000595001243 348169216 /nfs/dbraw/zinc/16/92/16/348169216.db2.gz SPMBZOIKWKGBAE-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO CC(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595001758 348169326 /nfs/dbraw/zinc/16/93/26/348169326.db2.gz XZCCCOYKBALZEY-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000595010988 348159642 /nfs/dbraw/zinc/15/96/42/348159642.db2.gz AVOBRVBBVUVVCU-CYBMUJFWSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000595010996 348160055 /nfs/dbraw/zinc/16/00/55/348160055.db2.gz AVOBRVBBVUVVCU-ZDUSSCGKSA-N 1 0 246.310 3.017 20 5 BGBDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595096831 348193787 /nfs/dbraw/zinc/19/37/87/348193787.db2.gz MTZAAERJMRPSMM-LLVKDONJSA-N 1 0 246.310 3.356 20 5 BGBDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595096832 348193548 /nfs/dbraw/zinc/19/35/48/348193548.db2.gz MTZAAERJMRPSMM-NSHDSACASA-N 1 0 246.310 3.356 20 5 BGBDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595098663 348194308 /nfs/dbraw/zinc/19/43/08/348194308.db2.gz DNHMFTDDQTWXPG-HZMBPMFUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595098664 348194404 /nfs/dbraw/zinc/19/44/04/348194404.db2.gz DNHMFTDDQTWXPG-IINYFYTJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595098665 348194410 /nfs/dbraw/zinc/19/44/10/348194410.db2.gz DNHMFTDDQTWXPG-QMTHXVAHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595098666 348194320 /nfs/dbraw/zinc/19/43/20/348194320.db2.gz DNHMFTDDQTWXPG-YGRLFVJLSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595105195 348196729 /nfs/dbraw/zinc/19/67/29/348196729.db2.gz RFBXUCZCTYDZIK-HZMBPMFUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595105196 348196480 /nfs/dbraw/zinc/19/64/80/348196480.db2.gz RFBXUCZCTYDZIK-IINYFYTJSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595105197 348196759 /nfs/dbraw/zinc/19/67/59/348196759.db2.gz RFBXUCZCTYDZIK-QMTHXVAHSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595105198 348196767 /nfs/dbraw/zinc/19/67/67/348196767.db2.gz RFBXUCZCTYDZIK-YGRLFVJLSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000595413426 348241505 /nfs/dbraw/zinc/24/15/05/348241505.db2.gz BMIFOJLFDAPJKB-LLVKDONJSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000595413427 348241576 /nfs/dbraw/zinc/24/15/76/348241576.db2.gz BMIFOJLFDAPJKB-NSHDSACASA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC000595425432 348247045 /nfs/dbraw/zinc/24/70/45/348247045.db2.gz RYXMPQXBMCNWMV-LLVKDONJSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]CC1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC000595425433 348246972 /nfs/dbraw/zinc/24/69/72/348246972.db2.gz RYXMPQXBMCNWMV-NSHDSACASA-N 1 0 246.310 3.212 20 5 BGBDRO CC[C@@H](C)[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000595592636 348278888 /nfs/dbraw/zinc/27/88/88/348278888.db2.gz HMCJIXVJVLINIR-SECBINFHSA-N 1 0 242.344 3.277 20 5 BGBDRO CC[C@H](C)[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC000595592637 348278640 /nfs/dbraw/zinc/27/86/40/348278640.db2.gz HMCJIXVJVLINIR-VIFPVBQESA-N 1 0 242.344 3.277 20 5 BGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000595594035 348278324 /nfs/dbraw/zinc/27/83/24/348278324.db2.gz WWKSQVYAOYDESX-LLVKDONJSA-N 1 0 236.315 3.215 20 5 BGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000595594036 348278368 /nfs/dbraw/zinc/27/83/68/348278368.db2.gz WWKSQVYAOYDESX-NSHDSACASA-N 1 0 236.315 3.215 20 5 BGBDRO CC(C)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595831336 348365527 /nfs/dbraw/zinc/36/55/27/348365527.db2.gz MQKWNJJNDYVVFV-UHFFFAOYSA-N 1 0 248.326 3.263 20 5 BGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595909464 348397916 /nfs/dbraw/zinc/39/79/16/348397916.db2.gz OGMSZSZGJXOFNE-GFCCVEGCSA-N 1 0 248.326 3.073 20 5 BGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595909465 348397935 /nfs/dbraw/zinc/39/79/35/348397935.db2.gz OGMSZSZGJXOFNE-LBPRGKRZSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2CC1(C)C2 ZINC000595914466 348399987 /nfs/dbraw/zinc/39/99/87/348399987.db2.gz ARFJCESWECBXKW-CDWSIMAYSA-N 1 0 246.310 3.140 20 5 BGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2CC1(C)C2 ZINC000595914468 348399455 /nfs/dbraw/zinc/39/94/55/348399455.db2.gz ARFJCESWECBXKW-IFQILLTASA-N 1 0 246.310 3.140 20 5 BGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC1(C)C ZINC000595915226 348399432 /nfs/dbraw/zinc/39/94/32/348399432.db2.gz XYIVEYKSFTUQPB-GFCCVEGCSA-N 1 0 248.326 3.073 20 5 BGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC1(C)C ZINC000595915227 348399700 /nfs/dbraw/zinc/39/97/00/348399700.db2.gz XYIVEYKSFTUQPB-LBPRGKRZSA-N 1 0 248.326 3.073 20 5 BGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000595915246 348399576 /nfs/dbraw/zinc/39/95/76/348399576.db2.gz YJLVDMTXOMOPLI-GFCCVEGCSA-N 1 0 248.326 3.073 20 5 BGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000595915247 348399945 /nfs/dbraw/zinc/39/99/45/348399945.db2.gz YJLVDMTXOMOPLI-LBPRGKRZSA-N 1 0 248.326 3.073 20 5 BGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2CC1(C)C2 ZINC000595917310 348400425 /nfs/dbraw/zinc/40/04/25/348400425.db2.gz YSFWVLSKRQMHCE-CDWSIMAYSA-N 1 0 246.310 3.140 20 5 BGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2CC1(C)C2 ZINC000595917313 348400252 /nfs/dbraw/zinc/40/02/52/348400252.db2.gz YSFWVLSKRQMHCE-IFQILLTASA-N 1 0 246.310 3.140 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC(C)C1 ZINC000598646904 349010107 /nfs/dbraw/zinc/01/01/07/349010107.db2.gz DPQLXFNCTOMEBS-UHFFFAOYSA-N 1 0 248.326 3.039 20 5 BGBDRO Cc1ccc(C[NH2+]CC2CC(C)C2)cc1[N+](=O)[O-] ZINC000598647197 349010081 /nfs/dbraw/zinc/01/00/81/349010081.db2.gz FYUPHVLJITYYPL-UHFFFAOYSA-N 1 0 248.326 3.039 20 5 BGBDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598679588 349021863 /nfs/dbraw/zinc/02/18/63/349021863.db2.gz KHEFJHILZCWGQW-CXQJBGSLSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000598679589 349021787 /nfs/dbraw/zinc/02/17/87/349021787.db2.gz KHEFJHILZCWGQW-MOENNCHZSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@H]([NH2+]CC1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598680299 349021704 /nfs/dbraw/zinc/02/17/04/349021704.db2.gz VTHABMREZRQYBF-CXQJBGSLSA-N 1 0 248.326 3.292 20 5 BGBDRO C[C@@H]([NH2+]CC1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598680300 349021758 /nfs/dbraw/zinc/02/17/58/349021758.db2.gz VTHABMREZRQYBF-MOENNCHZSA-N 1 0 248.326 3.292 20 5 BGBDRO C/C=C\C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000599004420 385085856 /nfs/dbraw/zinc/08/58/56/385085856.db2.gz CLPDVIIDSSQOIV-PLNGDYQASA-N 1 0 248.326 3.384 20 5 BGBDRO C/C=C/C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000599004421 385083745 /nfs/dbraw/zinc/08/37/45/385083745.db2.gz CLPDVIIDSSQOIV-SNAWJCMRSA-N 1 0 248.326 3.384 20 5 BGBDRO C/C=C\C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000599005803 349074845 /nfs/dbraw/zinc/07/48/45/349074845.db2.gz UIADGPVPRQFWCU-CVTZKADISA-N 1 0 246.310 3.164 20 5 BGBDRO C/C=C/C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000599005804 349074424 /nfs/dbraw/zinc/07/44/24/349074424.db2.gz UIADGPVPRQFWCU-GMHKHPCXSA-N 1 0 246.310 3.164 20 5 BGBDRO C/C=C/C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000599005805 349074718 /nfs/dbraw/zinc/07/47/18/349074718.db2.gz UIADGPVPRQFWCU-KLGBCXIOSA-N 1 0 246.310 3.164 20 5 BGBDRO C/C=C\C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000599006300 349074777 /nfs/dbraw/zinc/07/47/77/349074777.db2.gz UIADGPVPRQFWCU-UYOLCUGSSA-N 1 0 246.310 3.164 20 5 BGBDRO O=[N+]([O-])c1c(NC2CCC2)ccc2cnccc21 ZINC000599043411 349081201 /nfs/dbraw/zinc/08/12/01/349081201.db2.gz RNRYQDYKQGSCBX-UHFFFAOYSA-N 1 0 243.266 3.107 20 5 BGBDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064426 349086078 /nfs/dbraw/zinc/08/60/78/349086078.db2.gz MHQKPWHAKVOZMD-LLVKDONJSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064432 349086329 /nfs/dbraw/zinc/08/63/29/349086329.db2.gz MHQKPWHAKVOZMD-NSHDSACASA-N 1 0 246.310 3.212 20 5 BGBDRO C/C=C/C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599083056 349096802 /nfs/dbraw/zinc/09/68/02/349096802.db2.gz NXIKBMZDJNSLMI-BAABZTOOSA-N 1 0 246.310 3.138 20 5 BGBDRO C/C=C/C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599083058 349096485 /nfs/dbraw/zinc/09/64/85/349096485.db2.gz NXIKBMZDJNSLMI-HSWBROFVSA-N 1 0 246.310 3.138 20 5 BGBDRO C/C=C\C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599083060 349096328 /nfs/dbraw/zinc/09/63/28/349096328.db2.gz NXIKBMZDJNSLMI-PYLYLYNFSA-N 1 0 246.310 3.138 20 5 BGBDRO C/C=C\C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599083062 349096696 /nfs/dbraw/zinc/09/66/96/349096696.db2.gz NXIKBMZDJNSLMI-SFAKSCPVSA-N 1 0 246.310 3.138 20 5 BGBDRO C/C=C/C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599083093 349096633 /nfs/dbraw/zinc/09/66/33/349096633.db2.gz ORXUJPSVYMIMOA-AAOUONPWSA-N 1 0 248.326 3.082 20 5 BGBDRO C/C=C\C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599083094 349096783 /nfs/dbraw/zinc/09/67/83/349096783.db2.gz ORXUJPSVYMIMOA-MVZIDQBPSA-N 1 0 248.326 3.082 20 5 BGBDRO C/C=C/C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599083096 349096600 /nfs/dbraw/zinc/09/66/00/349096600.db2.gz ORXUJPSVYMIMOA-PCAWENJQSA-N 1 0 248.326 3.082 20 5 BGBDRO C/C=C\C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599083097 349096746 /nfs/dbraw/zinc/09/67/46/349096746.db2.gz ORXUJPSVYMIMOA-VSQXVHSFSA-N 1 0 248.326 3.082 20 5 BGBDRO Cc1c(C[NH+](C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000599595507 349223014 /nfs/dbraw/zinc/22/30/14/349223014.db2.gz VJTQTTPEFFHUPK-UHFFFAOYSA-N 1 0 246.310 3.030 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1 ZINC000601149370 371730167 /nfs/dbraw/zinc/73/01/67/371730167.db2.gz MJSYPKIFWQOAHU-JSGCOSHPSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1 ZINC000601149372 346418600 /nfs/dbraw/zinc/41/86/00/346418600.db2.gz MJSYPKIFWQOAHU-TZMCWYRMSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1 ZINC000601150069 346421206 /nfs/dbraw/zinc/42/12/06/346421206.db2.gz UBKIWUGDTVIXGP-JSGCOSHPSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]23C[C@H]2CCCC3)c1 ZINC000601150071 346421182 /nfs/dbraw/zinc/42/11/82/346421182.db2.gz UBKIWUGDTVIXGP-TZMCWYRMSA-N 1 0 246.310 3.017 20 5 BGBDRO Cc1c(C[NH+]2C3CCC2CC3)cccc1[N+](=O)[O-] ZINC000603845773 371934330 /nfs/dbraw/zinc/93/43/30/371934330.db2.gz NCNZYUJTGHROHS-UHFFFAOYSA-N 1 0 246.310 3.030 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CC1 ZINC000611336492 344476837 /nfs/dbraw/zinc/47/68/37/344476837.db2.gz HHTSSDXLCRXWTO-LLVKDONJSA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CC1 ZINC000611336493 344477157 /nfs/dbraw/zinc/47/71/57/344477157.db2.gz HHTSSDXLCRXWTO-NSHDSACASA-N 1 0 248.326 3.354 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000611468895 359375714 /nfs/dbraw/zinc/37/57/14/359375714.db2.gz DWSVMFMHFJCGRG-GXFFZTMASA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000611468896 384171199 /nfs/dbraw/zinc/17/11/99/384171199.db2.gz DWSVMFMHFJCGRG-ZWNOBZJWSA-N 1 0 248.326 3.352 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC=CCC1 ZINC000611517369 344749241 /nfs/dbraw/zinc/74/92/41/344749241.db2.gz VHGTZUCZQRLRTD-LBPRGKRZSA-N 1 0 246.310 3.226 20 5 BGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000611992686 344851236 /nfs/dbraw/zinc/85/12/36/344851236.db2.gz AINNDAKZGYINPS-LLVKDONJSA-N 1 0 236.315 3.215 20 5 BGBDRO CC[C@H](C)[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000611992698 344851284 /nfs/dbraw/zinc/85/12/84/344851284.db2.gz AINNDAKZGYINPS-NSHDSACASA-N 1 0 236.315 3.215 20 5 BGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC1CC1 ZINC000612580322 344907093 /nfs/dbraw/zinc/90/70/93/344907093.db2.gz QUAMQMHNQLYAMZ-UHFFFAOYSA-N 1 0 248.326 3.183 20 5 BGBDRO CC[C@@H](C)[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000619715703 398310035 /nfs/dbraw/zinc/31/00/35/398310035.db2.gz AXJOWFYOZURMKP-LLVKDONJSA-N 1 0 236.315 3.215 20 5 BGBDRO CC[C@H](C)[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000619715704 398310086 /nfs/dbraw/zinc/31/00/86/398310086.db2.gz AXJOWFYOZURMKP-NSHDSACASA-N 1 0 236.315 3.215 20 5 BGBDRO Cc1c(C[NH2+]C2(C)CC=CC2)cccc1[N+](=O)[O-] ZINC000705329321 712128265 /nfs/dbraw/zinc/12/82/65/712128265.db2.gz VDNWDUKICHTYPE-UHFFFAOYSA-N 1 0 246.310 3.102 20 5 BGBDRO Cc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000706904657 712160233 /nfs/dbraw/zinc/16/02/33/712160233.db2.gz SWABWVMVGWMTRB-LLVKDONJSA-N 1 0 248.326 3.181 20 5 BGBDRO Cc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000706904658 712159990 /nfs/dbraw/zinc/15/99/90/712159990.db2.gz SWABWVMVGWMTRB-NSHDSACASA-N 1 0 248.326 3.181 20 5 BGBDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000706904734 712160378 /nfs/dbraw/zinc/16/03/78/712160378.db2.gz VDIUWMNPEVUYRP-GHMZBOCLSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000706904735 712160070 /nfs/dbraw/zinc/16/00/70/712160070.db2.gz VDIUWMNPEVUYRP-MNOVXSKESA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000706904736 712160439 /nfs/dbraw/zinc/16/04/39/712160439.db2.gz VDIUWMNPEVUYRP-QWRGUYRKSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000706904737 712160390 /nfs/dbraw/zinc/16/03/90/712160390.db2.gz VDIUWMNPEVUYRP-WDEREUQCSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000711681078 712316753 /nfs/dbraw/zinc/31/67/53/712316753.db2.gz UAWYATCXLRJXGB-NEPJUHHUSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000711681079 712316612 /nfs/dbraw/zinc/31/66/12/712316612.db2.gz UAWYATCXLRJXGB-NWDGAFQWSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000711681080 712316488 /nfs/dbraw/zinc/31/64/88/712316488.db2.gz UAWYATCXLRJXGB-RYUDHWBXSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000711681081 712316632 /nfs/dbraw/zinc/31/66/32/712316632.db2.gz UAWYATCXLRJXGB-VXGBXAGGSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000711681758 712316797 /nfs/dbraw/zinc/31/67/97/712316797.db2.gz XPZKDTBKSBNWBK-NEPJUHHUSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000711681759 712316553 /nfs/dbraw/zinc/31/65/53/712316553.db2.gz XPZKDTBKSBNWBK-NWDGAFQWSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000711681761 712316668 /nfs/dbraw/zinc/31/66/68/712316668.db2.gz XPZKDTBKSBNWBK-RYUDHWBXSA-N 1 0 246.310 3.212 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000711681762 712316662 /nfs/dbraw/zinc/31/66/62/712316662.db2.gz XPZKDTBKSBNWBK-VXGBXAGGSA-N 1 0 246.310 3.212 20 5 BGBDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000713494026 712462643 /nfs/dbraw/zinc/46/26/43/712462643.db2.gz AVTIGFNLHJTPQP-ITKZLYELSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000713494028 712462586 /nfs/dbraw/zinc/46/25/86/712462586.db2.gz AVTIGFNLHJTPQP-QMAVJUDZSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000713494030 712462431 /nfs/dbraw/zinc/46/24/31/712462431.db2.gz AVTIGFNLHJTPQP-RXNFCKPNSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000713494032 712462669 /nfs/dbraw/zinc/46/26/69/712462669.db2.gz AVTIGFNLHJTPQP-ZYOFXKKJSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000713495059 712462553 /nfs/dbraw/zinc/46/25/53/712462553.db2.gz GZNSTHQACNTSGZ-PLNGDYQASA-N 1 0 246.310 3.125 20 5 BGBDRO C=C/C=C/CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000713495060 712462777 /nfs/dbraw/zinc/46/27/77/712462777.db2.gz GZNSTHQACNTSGZ-SNAWJCMRSA-N 1 0 246.310 3.125 20 5 BGBDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000713497239 712462938 /nfs/dbraw/zinc/46/29/38/712462938.db2.gz WHZWKHCELLJWHN-ITKZLYELSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000713497240 712462839 /nfs/dbraw/zinc/46/28/39/712462839.db2.gz WHZWKHCELLJWHN-QMAVJUDZSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000713497241 712463144 /nfs/dbraw/zinc/46/31/44/712463144.db2.gz WHZWKHCELLJWHN-RXNFCKPNSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C/CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000713497242 712462875 /nfs/dbraw/zinc/46/28/75/712462875.db2.gz WHZWKHCELLJWHN-ZYOFXKKJSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C/CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000713497261 712463084 /nfs/dbraw/zinc/46/30/84/712463084.db2.gz XIXDEYUBZRYPOJ-ITKZLYELSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000713497262 712462881 /nfs/dbraw/zinc/46/28/81/712462881.db2.gz XIXDEYUBZRYPOJ-QMAVJUDZSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000713497263 712463102 /nfs/dbraw/zinc/46/31/02/712463102.db2.gz XIXDEYUBZRYPOJ-RXNFCKPNSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C/CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000713497264 712462921 /nfs/dbraw/zinc/46/29/21/712462921.db2.gz XIXDEYUBZRYPOJ-ZYOFXKKJSA-N 1 0 246.310 3.378 20 5 BGBDRO C=C/C=C\CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000713660355 712468811 /nfs/dbraw/zinc/46/88/11/712468811.db2.gz MSNWGQKGUCQECF-PLNGDYQASA-N 1 0 246.310 3.125 20 5 BGBDRO C=C/C=C/CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000713660357 712468795 /nfs/dbraw/zinc/46/87/95/712468795.db2.gz MSNWGQKGUCQECF-SNAWJCMRSA-N 1 0 246.310 3.125 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCC2)cc1 ZINC000717862735 712639163 /nfs/dbraw/zinc/63/91/63/712639163.db2.gz ITPALAPUCCCMLE-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717864244 712641296 /nfs/dbraw/zinc/64/12/96/712641296.db2.gz XLOPWYAZGWLUQU-UHFFFAOYSA-N 1 0 246.310 3.017 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC=CCC2)c1 ZINC000718047646 712738980 /nfs/dbraw/zinc/73/89/80/712738980.db2.gz JDEKUQOUYJRSOK-UHFFFAOYSA-N 1 0 246.310 3.183 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC=CCC2)cc1 ZINC000718048863 712738553 /nfs/dbraw/zinc/73/85/53/712738553.db2.gz VKTOZOJSPXYXFG-UHFFFAOYSA-N 1 0 246.310 3.183 20 5 BGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CC=CC2)c1 ZINC000724199783 711568807 /nfs/dbraw/zinc/56/88/07/711568807.db2.gz IKNPLWILQJNAJQ-UHFFFAOYSA-N 1 0 246.310 3.041 20 5 BGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CC=CC1 ZINC000724200404 711568794 /nfs/dbraw/zinc/56/87/94/711568794.db2.gz MYPNCEMYNAMUQP-UHFFFAOYSA-N 1 0 246.310 3.041 20 5 BGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC=CC2)cc1 ZINC000724201563 711569420 /nfs/dbraw/zinc/56/94/20/711569420.db2.gz XFZTWVBKPMZWPM-UHFFFAOYSA-N 1 0 246.310 3.041 20 5 BGBDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000749922615 585208223 /nfs/dbraw/zinc/20/82/23/585208223.db2.gz COECYOSYNKBGQA-GHMZBOCLSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000749922616 585208296 /nfs/dbraw/zinc/20/82/96/585208296.db2.gz COECYOSYNKBGQA-QWRGUYRKSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000749922617 585208171 /nfs/dbraw/zinc/20/81/71/585208171.db2.gz COECYOSYNKBGQA-YABSGUDNSA-N 1 0 248.326 3.119 20 5 BGBDRO CC(C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000760877696 585400620 /nfs/dbraw/zinc/40/06/20/585400620.db2.gz AOIZMJORKWJFBZ-UHFFFAOYSA-N 1 0 242.706 3.088 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000778953199 585742877 /nfs/dbraw/zinc/74/28/77/585742877.db2.gz LLRRGCIWLWWQBL-COPLHBTASA-N 1 0 246.310 3.058 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000778953214 585742522 /nfs/dbraw/zinc/74/25/22/585742522.db2.gz LLRRGCIWLWWQBL-WDMOLILDSA-N 1 0 246.310 3.058 20 5 BGBDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000829668954 587508232 /nfs/dbraw/zinc/50/82/32/587508232.db2.gz UZBQYHRDQOSQKH-GHMZBOCLSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000829668955 587508163 /nfs/dbraw/zinc/50/81/63/587508163.db2.gz UZBQYHRDQOSQKH-QWRGUYRKSA-N 1 0 248.326 3.119 20 5 BGBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000829668957 587508210 /nfs/dbraw/zinc/50/82/10/587508210.db2.gz UZBQYHRDQOSQKH-YABSGUDNSA-N 1 0 248.326 3.119 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000850509213 588554823 /nfs/dbraw/zinc/55/48/23/588554823.db2.gz MPBOGWQRTNVTKZ-NEPJUHHUSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000850509233 588554728 /nfs/dbraw/zinc/55/47/28/588554728.db2.gz MPBOGWQRTNVTKZ-NWDGAFQWSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1c([C@H](C)[NH2+][C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000850509237 588554558 /nfs/dbraw/zinc/55/45/58/588554558.db2.gz MPBOGWQRTNVTKZ-RYUDHWBXSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000850509240 588554621 /nfs/dbraw/zinc/55/46/21/588554621.db2.gz MPBOGWQRTNVTKZ-VXGBXAGGSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C=CCC1 ZINC000850511095 588555556 /nfs/dbraw/zinc/55/55/56/588555556.db2.gz ZGDZQPCZHDRJAX-NEPJUHHUSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850511096 588555317 /nfs/dbraw/zinc/55/53/17/588555317.db2.gz ZGDZQPCZHDRJAX-NWDGAFQWSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C=CCC1 ZINC000850511097 588555075 /nfs/dbraw/zinc/55/50/75/588555075.db2.gz ZGDZQPCZHDRJAX-RYUDHWBXSA-N 1 0 246.310 3.272 20 5 BGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C=CCC1 ZINC000850511098 588555244 /nfs/dbraw/zinc/55/52/44/588555244.db2.gz ZGDZQPCZHDRJAX-VXGBXAGGSA-N 1 0 246.310 3.272 20 5 BGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016074 589856025 /nfs/dbraw/zinc/85/60/25/589856025.db2.gz DGHIEQPZKJGNIK-BDAKNGLRSA-N 1 0 240.278 3.183 20 5 BGBDRO CC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016075 589856081 /nfs/dbraw/zinc/85/60/81/589856081.db2.gz DGHIEQPZKJGNIK-DTWKUNHWSA-N 1 0 240.278 3.183 20 5 BGBDRO CC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016076 589856341 /nfs/dbraw/zinc/85/63/41/589856341.db2.gz DGHIEQPZKJGNIK-IUCAKERBSA-N 1 0 240.278 3.183 20 5 BGBDRO CC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016077 589856235 /nfs/dbraw/zinc/85/62/35/589856235.db2.gz DGHIEQPZKJGNIK-RKDXNWHRSA-N 1 0 240.278 3.183 20 5 BGBDRO CCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016515 589856183 /nfs/dbraw/zinc/85/61/83/589856183.db2.gz KLWSSYLQROKAAE-SECBINFHSA-N 1 0 240.278 3.185 20 5 BGBDRO CCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016516 589856326 /nfs/dbraw/zinc/85/63/26/589856326.db2.gz KLWSSYLQROKAAE-VIFPVBQESA-N 1 0 240.278 3.185 20 5 BGBDRO CC(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017262 589855854 /nfs/dbraw/zinc/85/58/54/589855854.db2.gz XXBHADBPXMZCLR-SECBINFHSA-N 1 0 240.278 3.041 20 5 BGBDRO CC(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017263 589856430 /nfs/dbraw/zinc/85/64/30/589856430.db2.gz XXBHADBPXMZCLR-VIFPVBQESA-N 1 0 240.278 3.041 20 5 BGBDRO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128349 589877329 /nfs/dbraw/zinc/87/73/29/589877329.db2.gz MHJNRPXCEFAJIT-GMXVVIOVSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128350 589877208 /nfs/dbraw/zinc/87/72/08/589877208.db2.gz MHJNRPXCEFAJIT-GVXVVHGQSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129476 589877413 /nfs/dbraw/zinc/87/74/13/589877413.db2.gz AVMKDIVVDAGVBN-CKYFFXLPSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129477 589877790 /nfs/dbraw/zinc/87/77/90/589877790.db2.gz AVMKDIVVDAGVBN-FOGDFJRCSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129478 589877682 /nfs/dbraw/zinc/87/76/82/589877682.db2.gz AVMKDIVVDAGVBN-HOSYDEDBSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129479 583947603 /nfs/dbraw/zinc/94/76/03/583947603.db2.gz AVMKDIVVDAGVBN-UMNHJUIQSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129524 589877636 /nfs/dbraw/zinc/87/76/36/589877636.db2.gz JGKITHMONVQGGF-QJPTWQEYSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129525 589877780 /nfs/dbraw/zinc/87/77/80/589877780.db2.gz JGKITHMONVQGGF-TUAOUCFPSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129578 589877755 /nfs/dbraw/zinc/87/77/55/589877755.db2.gz MHJNRPXCEFAJIT-MDZLAQPJSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129579 589877309 /nfs/dbraw/zinc/87/73/09/589877309.db2.gz MHJNRPXCEFAJIT-NTZNESFSSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129784 589877783 /nfs/dbraw/zinc/87/77/83/589877783.db2.gz TXJANHYTOAXKNW-NQBHXWOUSA-N 1 0 248.326 3.434 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129785 589877770 /nfs/dbraw/zinc/87/77/70/589877770.db2.gz TXJANHYTOAXKNW-WZRBSPASSA-N 1 0 248.326 3.434 20 5 BGBDRO CC[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007529 589979020 /nfs/dbraw/zinc/97/90/20/589979020.db2.gz STOISPMTWWHUCR-JTQLQIEISA-N 1 0 236.315 3.100 20 5 BGBDRO CC[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873007530 589979417 /nfs/dbraw/zinc/97/94/17/589979417.db2.gz STOISPMTWWHUCR-SNVBAGLBSA-N 1 0 236.315 3.100 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C1CC1 ZINC000873008961 589979418 /nfs/dbraw/zinc/97/94/18/589979418.db2.gz XDTYFKTVEVHEAG-LLVKDONJSA-N 1 0 248.326 3.100 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C1CC1 ZINC000873008962 589978771 /nfs/dbraw/zinc/97/87/71/589978771.db2.gz XDTYFKTVEVHEAG-NSHDSACASA-N 1 0 248.326 3.100 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C=CCC1 ZINC000873135574 589986342 /nfs/dbraw/zinc/98/63/42/589986342.db2.gz KCPXIXBOAZRQBL-GFCCVEGCSA-N 1 0 246.310 3.020 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C=CCC1 ZINC000873135575 589985943 /nfs/dbraw/zinc/98/59/43/589985943.db2.gz KCPXIXBOAZRQBL-LBPRGKRZSA-N 1 0 246.310 3.020 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C(C)C ZINC000876528570 590209381 /nfs/dbraw/zinc/20/93/81/590209381.db2.gz YXZRSUVVCCISKT-UHFFFAOYSA-N 1 0 236.315 3.052 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CCC1 ZINC000876744956 584886826 /nfs/dbraw/zinc/88/68/26/584886826.db2.gz ICUIBJWSOYDNHY-UHFFFAOYSA-N 1 0 248.326 3.196 20 5 BGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC=CC1 ZINC000877095459 590282180 /nfs/dbraw/zinc/28/21/80/590282180.db2.gz YZEKKVHWGDMHTK-UHFFFAOYSA-N 1 0 246.310 3.020 20 5 BGBDRO C=C/C=C\CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917550 590446914 /nfs/dbraw/zinc/44/69/14/590446914.db2.gz XGOQOSOXEHRXHU-PLNGDYQASA-N 1 0 246.310 3.159 20 5 BGBDRO C=C/C=C/CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000877917551 590446254 /nfs/dbraw/zinc/44/62/54/590446254.db2.gz XGOQOSOXEHRXHU-SNAWJCMRSA-N 1 0 246.310 3.159 20 5 BGBDRO Cc1ccc(C[NH+](C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000879038741 590684758 /nfs/dbraw/zinc/68/47/58/590684758.db2.gz XSZULUHAFJXESP-UHFFFAOYSA-N 1 0 246.310 3.030 20 5 BGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000897442934 583984673 /nfs/dbraw/zinc/98/46/73/583984673.db2.gz MFRJOLSXKWJEOX-UHFFFAOYSA-N 1 0 248.326 3.121 20 5 BGBDRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465227 583988515 /nfs/dbraw/zinc/98/85/15/583988515.db2.gz UEURGFJVVKPACX-DMDPSCGWSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465228 583988595 /nfs/dbraw/zinc/98/85/95/583988595.db2.gz UEURGFJVVKPACX-LOWVWBTDSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465229 583988895 /nfs/dbraw/zinc/98/88/95/583988895.db2.gz UEURGFJVVKPACX-NQBHXWOUSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+][C@H]1CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897465230 583988610 /nfs/dbraw/zinc/98/86/10/583988610.db2.gz UEURGFJVVKPACX-WZRBSPASSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+]CC1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897465445 583988836 /nfs/dbraw/zinc/98/88/36/583988836.db2.gz WOVIYTZXUYLGLY-LLVKDONJSA-N 1 0 248.326 3.088 20 5 BGBDRO C[C@@H](C[NH2+]CC1(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897465446 583988849 /nfs/dbraw/zinc/98/88/49/583988849.db2.gz WOVIYTZXUYLGLY-NSHDSACASA-N 1 0 248.326 3.088 20 5 BGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897465661 583988907 /nfs/dbraw/zinc/98/89/07/583988907.db2.gz ZEYXRODHRGLVQD-GHMZBOCLSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897465662 583988366 /nfs/dbraw/zinc/98/83/66/583988366.db2.gz ZEYXRODHRGLVQD-MNOVXSKESA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@@H](C[NH2+][C@@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897465663 583988434 /nfs/dbraw/zinc/98/84/34/583988434.db2.gz ZEYXRODHRGLVQD-QWRGUYRKSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@@H](C[NH2+][C@H](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897465664 583988603 /nfs/dbraw/zinc/98/86/03/583988603.db2.gz ZEYXRODHRGLVQD-WDEREUQCSA-N 1 0 248.326 3.086 20 5 BGBDRO C[C@H](C[NH2+]C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000897466037 583988592 /nfs/dbraw/zinc/98/85/92/583988592.db2.gz NAINEWNYYYZOOY-LLVKDONJSA-N 1 0 248.326 3.231 20 5 BGBDRO C[C@@H](C[NH2+]C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000897466038 583988604 /nfs/dbraw/zinc/98/86/04/583988604.db2.gz NAINEWNYYYZOOY-NSHDSACASA-N 1 0 248.326 3.231 20 5 BGBDRO CC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246408 584740672 /nfs/dbraw/zinc/74/06/72/584740672.db2.gz UXFMTOQKEGWMCR-GHMZBOCLSA-N 1 0 236.315 3.086 20 5 BGBDRO CC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246409 584740829 /nfs/dbraw/zinc/74/08/29/584740829.db2.gz UXFMTOQKEGWMCR-MNOVXSKESA-N 1 0 236.315 3.086 20 5 BGBDRO CC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246410 584740782 /nfs/dbraw/zinc/74/07/82/584740782.db2.gz UXFMTOQKEGWMCR-QWRGUYRKSA-N 1 0 236.315 3.086 20 5 BGBDRO CC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246411 584740665 /nfs/dbraw/zinc/74/06/65/584740665.db2.gz UXFMTOQKEGWMCR-WDEREUQCSA-N 1 0 236.315 3.086 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903288549 584745785 /nfs/dbraw/zinc/74/57/85/584745785.db2.gz YJZGGOJNQLAKOO-BREBYQMCSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903288550 584745716 /nfs/dbraw/zinc/74/57/16/584745716.db2.gz YJZGGOJNQLAKOO-CWSCBRNRSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903288551 584745879 /nfs/dbraw/zinc/74/58/79/584745879.db2.gz YJZGGOJNQLAKOO-GIPNMCIBSA-N 1 0 234.299 3.044 20 5 BGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000903288552 584745640 /nfs/dbraw/zinc/74/56/40/584745640.db2.gz YJZGGOJNQLAKOO-OPQQBVKSSA-N 1 0 234.299 3.044 20 5 BGBDRO CCCC[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000906538097 638205793 /nfs/dbraw/zinc/20/57/93/638205793.db2.gz XXTVYTDFEDYFEK-LLVKDONJSA-N 1 0 236.315 3.088 20 5 BGBDRO CCCC[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000906538098 638205463 /nfs/dbraw/zinc/20/54/63/638205463.db2.gz XXTVYTDFEDYFEK-NSHDSACASA-N 1 0 236.315 3.088 20 5 BGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000934618913 641216122 /nfs/dbraw/zinc/21/61/22/641216122.db2.gz FNOUEMQECCHLNN-DGCLKSJQSA-N 1 0 246.310 3.039 20 5 BGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000934625975 641220648 /nfs/dbraw/zinc/22/06/48/641220648.db2.gz QMXUETWNTWVPIB-BXUZGUMPSA-N 1 0 246.310 3.039 20 5 BGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000934626767 641222386 /nfs/dbraw/zinc/22/23/86/641222386.db2.gz INZGJPZAFFADEK-BXUZGUMPSA-N 1 0 246.310 3.039 20 5 BGBDRO