smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818749 720150307 /nfs/dbraw/zinc/15/03/07/720150307.db2.gz UMPJKUYMDGVIBF-BXTYQOGLSA-N 2 2 399.535 2.761 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818749 720150317 /nfs/dbraw/zinc/15/03/17/720150317.db2.gz UMPJKUYMDGVIBF-BXTYQOGLSA-N 2 2 399.535 2.761 20 0 GFADLP Cn1nnc2c1CCN(c1[nH+]ccc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714536 720169935 /nfs/dbraw/zinc/16/99/35/720169935.db2.gz QJJNVZXTKJPZBQ-HXUWFJFHSA-N 2 2 392.507 2.580 20 0 GFADLP CCCc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001164833021 720328126 /nfs/dbraw/zinc/32/81/26/720328126.db2.gz VVSYZGPZYWHEBS-PMACEKPBSA-N 2 2 385.556 2.649 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741164 720838174 /nfs/dbraw/zinc/83/81/74/720838174.db2.gz DMEZBIJFEBPWPF-HMXCVIKNSA-N 2 2 395.555 2.708 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741164 720838176 /nfs/dbraw/zinc/83/81/76/720838176.db2.gz DMEZBIJFEBPWPF-HMXCVIKNSA-N 2 2 395.555 2.708 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887733 721417153 /nfs/dbraw/zinc/41/71/53/721417153.db2.gz MUKLLAXXUNJTBB-RBBKRZOGSA-N 2 2 388.556 2.634 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900542 721507802 /nfs/dbraw/zinc/50/78/02/721507802.db2.gz SAZUTEGSWFJLCG-PKOBYXMFSA-N 2 2 385.487 2.722 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900542 721507806 /nfs/dbraw/zinc/50/78/06/721507806.db2.gz SAZUTEGSWFJLCG-PKOBYXMFSA-N 2 2 385.487 2.722 20 0 GFADLP C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)CC1 ZINC001165044518 721949822 /nfs/dbraw/zinc/94/98/22/721949822.db2.gz CVMGSLZAWBINDQ-UHFFFAOYSA-N 2 2 398.530 2.720 20 0 GFADLP C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)CC1 ZINC001165044518 721949824 /nfs/dbraw/zinc/94/98/24/721949824.db2.gz CVMGSLZAWBINDQ-UHFFFAOYSA-N 2 2 398.530 2.720 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300503 551304847 /nfs/dbraw/zinc/30/48/47/551304847.db2.gz VFAKPWXXJNMKOH-GOEBONIOSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123300503 551304848 /nfs/dbraw/zinc/30/48/48/551304848.db2.gz VFAKPWXXJNMKOH-GOEBONIOSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300503 551304850 /nfs/dbraw/zinc/30/48/50/551304850.db2.gz VFAKPWXXJNMKOH-GOEBONIOSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300503 551304853 /nfs/dbraw/zinc/30/48/53/551304853.db2.gz VFAKPWXXJNMKOH-GOEBONIOSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154270510 551470893 /nfs/dbraw/zinc/47/08/93/551470893.db2.gz UCHQHMKTQWSRAT-CXAGYDPISA-N 2 2 381.314 2.882 20 0 GFADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000162562295 551609746 /nfs/dbraw/zinc/60/97/46/551609746.db2.gz VXBBTBRQRSKKBO-CYBMUJFWSA-N 2 2 399.347 2.761 20 0 GFADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@H](C[NH3+])C1 ZINC000162562295 551609748 /nfs/dbraw/zinc/60/97/48/551609748.db2.gz VXBBTBRQRSKKBO-CYBMUJFWSA-N 2 2 399.347 2.761 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000172807117 551686897 /nfs/dbraw/zinc/68/68/97/551686897.db2.gz XIJWUMWYCMSVCZ-AWEZNQCLSA-N 2 2 398.345 2.785 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896919 552095373 /nfs/dbraw/zinc/09/53/73/552095373.db2.gz GKZRFJCLHAAQFG-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896919 552095374 /nfs/dbraw/zinc/09/53/74/552095374.db2.gz GKZRFJCLHAAQFG-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896919 552095376 /nfs/dbraw/zinc/09/53/76/552095376.db2.gz GKZRFJCLHAAQFG-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896919 552095378 /nfs/dbraw/zinc/09/53/78/552095378.db2.gz GKZRFJCLHAAQFG-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP Brc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)nc1 ZINC000177025695 552149821 /nfs/dbraw/zinc/14/98/21/552149821.db2.gz FVASHFNJJBCXJQ-UHFFFAOYSA-N 2 2 399.296 2.747 20 0 GFADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000178976316 552181441 /nfs/dbraw/zinc/18/14/41/552181441.db2.gz MJIJOGXCCRSFPG-GOSISDBHSA-N 2 2 378.567 2.764 20 0 GFADLP CC[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956539 552375271 /nfs/dbraw/zinc/37/52/71/552375271.db2.gz ZYEONXDHAKGUSK-RYUDHWBXSA-N 2 2 378.464 2.755 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000186981487 552403244 /nfs/dbraw/zinc/40/32/44/552403244.db2.gz ZHKWVVIRMPAVNM-XJKSGUPXSA-N 2 2 387.341 2.906 20 0 GFADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237757901 553081610 /nfs/dbraw/zinc/08/16/10/553081610.db2.gz YSWDBLSXLURPSR-BBRMVZONSA-N 2 2 385.936 2.827 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261613757 553154164 /nfs/dbraw/zinc/15/41/64/553154164.db2.gz CKILZNSYJOSGPT-IAGOWNOFSA-N 2 2 380.330 2.796 20 0 GFADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770585 553158813 /nfs/dbraw/zinc/15/88/13/553158813.db2.gz WXBLPVOOUZMRED-CXAGYDPISA-N 2 2 398.320 2.668 20 0 GFADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770585 553158814 /nfs/dbraw/zinc/15/88/14/553158814.db2.gz WXBLPVOOUZMRED-CXAGYDPISA-N 2 2 398.320 2.668 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000262093850 553165877 /nfs/dbraw/zinc/16/58/77/553165877.db2.gz UZLMMCYIANCTDI-SNVBAGLBSA-N 2 2 394.766 2.984 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000262093850 553165879 /nfs/dbraw/zinc/16/58/79/553165879.db2.gz UZLMMCYIANCTDI-SNVBAGLBSA-N 2 2 394.766 2.984 20 0 GFADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418500448 563218538 /nfs/dbraw/zinc/21/85/38/563218538.db2.gz PPUHBJQFEXQSFB-KRWDZBQOSA-N 2 2 385.339 2.600 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370292 563262639 /nfs/dbraw/zinc/26/26/39/563262639.db2.gz LGAFWKZDLKSCCU-DNVCBOLYSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370292 563262643 /nfs/dbraw/zinc/26/26/43/563262643.db2.gz LGAFWKZDLKSCCU-DNVCBOLYSA-N 2 2 394.357 2.872 20 0 GFADLP [NH3+]C1(CNS(=O)(=O)c2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000420473741 563265102 /nfs/dbraw/zinc/26/51/02/563265102.db2.gz WDERXCKJZZNXHK-UHFFFAOYSA-N 2 2 399.969 2.673 20 0 GFADLP Brc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422950717 563351621 /nfs/dbraw/zinc/35/16/21/563351621.db2.gz WONTVTWSVDUQHQ-ZMYBRWDISA-N 2 2 394.357 2.632 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093149 563354687 /nfs/dbraw/zinc/35/46/87/563354687.db2.gz GBRCAAQYMUMSAD-ZWNOBZJWSA-N 2 2 394.684 2.801 20 0 GFADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484751 563360974 /nfs/dbraw/zinc/36/09/74/563360974.db2.gz AJLOUZWRUYMXRU-SUMWQHHRSA-N 2 2 377.330 2.801 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376326293 563438228 /nfs/dbraw/zinc/43/82/28/563438228.db2.gz YKQNDOWIJMIMDK-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376326293 563438230 /nfs/dbraw/zinc/43/82/30/563438230.db2.gz YKQNDOWIJMIMDK-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP C[C@H](CCSc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000376798349 563454752 /nfs/dbraw/zinc/45/47/52/563454752.db2.gz GIRHPBYCVSLSFG-SJLPKXTDSA-N 2 2 382.595 2.798 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)[nH+]cc1Br ZINC000333378571 563630087 /nfs/dbraw/zinc/63/00/87/563630087.db2.gz VYQVBZUDZAUQSZ-UHFFFAOYSA-N 2 2 396.333 2.908 20 0 GFADLP [NH3+]CCCOC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000435393635 563648860 /nfs/dbraw/zinc/64/88/60/563648860.db2.gz KHQDSOVMCQKHRW-UHFFFAOYSA-N 2 2 384.311 2.904 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000414270831 563724415 /nfs/dbraw/zinc/72/44/15/563724415.db2.gz LXFXJAHKMMTONS-UHFFFAOYSA-N 2 2 375.519 2.729 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468891 563754240 /nfs/dbraw/zinc/75/42/40/563754240.db2.gz UOUGWIAOFIYCDS-HUBLWGQQSA-N 2 2 379.555 2.735 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468891 563754241 /nfs/dbraw/zinc/75/42/41/563754241.db2.gz UOUGWIAOFIYCDS-HUBLWGQQSA-N 2 2 379.555 2.735 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468893 563754375 /nfs/dbraw/zinc/75/43/75/563754375.db2.gz UOUGWIAOFIYCDS-XUJVJEKNSA-N 2 2 379.555 2.735 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468893 563754377 /nfs/dbraw/zinc/75/43/77/563754377.db2.gz UOUGWIAOFIYCDS-XUJVJEKNSA-N 2 2 379.555 2.735 20 0 GFADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041523 563757296 /nfs/dbraw/zinc/75/72/96/563757296.db2.gz RJKKDIXCXJWMSP-IAZYJMLFSA-N 2 2 376.092 2.528 20 0 GFADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118791 563759710 /nfs/dbraw/zinc/75/97/10/563759710.db2.gz DZRXDXOTXVWFKE-HOCLYGCPSA-N 2 2 382.346 2.702 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118791 563759712 /nfs/dbraw/zinc/75/97/12/563759712.db2.gz DZRXDXOTXVWFKE-HOCLYGCPSA-N 2 2 382.346 2.702 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137347 563760455 /nfs/dbraw/zinc/76/04/55/563760455.db2.gz IUWNCXOJNZCRGX-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137347 563760456 /nfs/dbraw/zinc/76/04/56/563760456.db2.gz IUWNCXOJNZCRGX-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP Brc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc2c1OCCCO2 ZINC000368082096 563863468 /nfs/dbraw/zinc/86/34/68/563863468.db2.gz RPWABNHVQDUMPC-LBPRGKRZSA-N 2 2 378.270 2.981 20 0 GFADLP Brc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc2c1OCCCO2 ZINC000368082096 563863472 /nfs/dbraw/zinc/86/34/72/563863472.db2.gz RPWABNHVQDUMPC-LBPRGKRZSA-N 2 2 378.270 2.981 20 0 GFADLP CN(C(=O)NCCc1ccc(Cl)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368390200 563870006 /nfs/dbraw/zinc/87/00/06/563870006.db2.gz OGKQYQUYPGHRHO-OAHLLOKOSA-N 2 2 384.977 2.754 20 0 GFADLP CN(C(=O)NCCc1ccc(Cl)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368390200 563870008 /nfs/dbraw/zinc/87/00/08/563870008.db2.gz OGKQYQUYPGHRHO-OAHLLOKOSA-N 2 2 384.977 2.754 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])[nH+]c12 ZINC000418020724 563895391 /nfs/dbraw/zinc/89/53/91/563895391.db2.gz HBBGCWXEURUGQN-SWLSCSKDSA-N 2 2 394.317 2.817 20 0 GFADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936910 564180687 /nfs/dbraw/zinc/18/06/87/564180687.db2.gz HPQFYYATZZSGTM-ZFWWWQNUSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936910 564180690 /nfs/dbraw/zinc/18/06/90/564180690.db2.gz HPQFYYATZZSGTM-ZFWWWQNUSA-N 2 2 375.460 2.665 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000449324853 564180750 /nfs/dbraw/zinc/18/07/50/564180750.db2.gz HVSXTAQJYYSXPG-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685107 564196793 /nfs/dbraw/zinc/19/67/93/564196793.db2.gz RJHLGGWNUUXNJG-IAISJRAMSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685107 564196794 /nfs/dbraw/zinc/19/67/94/564196794.db2.gz RJHLGGWNUUXNJG-IAISJRAMSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000510572184 564339594 /nfs/dbraw/zinc/33/95/94/564339594.db2.gz KGZDRJRGLYLBEO-LBPRGKRZSA-N 2 2 392.301 2.546 20 0 GFADLP C[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000510572184 564339595 /nfs/dbraw/zinc/33/95/95/564339595.db2.gz KGZDRJRGLYLBEO-LBPRGKRZSA-N 2 2 392.301 2.546 20 0 GFADLP COc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166921 564360346 /nfs/dbraw/zinc/36/03/46/564360346.db2.gz XLDIXGQBYRQRLS-CYBMUJFWSA-N 2 2 399.329 2.654 20 0 GFADLP COc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166921 564360350 /nfs/dbraw/zinc/36/03/50/564360350.db2.gz XLDIXGQBYRQRLS-CYBMUJFWSA-N 2 2 399.329 2.654 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3F)C2)nn1 ZINC000568401155 564417667 /nfs/dbraw/zinc/41/76/67/564417667.db2.gz FBEOPUXVCRCGLH-ZDUSSCGKSA-N 2 2 386.244 2.615 20 0 GFADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615356 564427245 /nfs/dbraw/zinc/42/72/45/564427245.db2.gz LHMVQMKPXLZECR-PBHICJAKSA-N 2 2 390.329 2.946 20 0 GFADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615356 564427248 /nfs/dbraw/zinc/42/72/48/564427248.db2.gz LHMVQMKPXLZECR-PBHICJAKSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615356 564427251 /nfs/dbraw/zinc/42/72/51/564427251.db2.gz LHMVQMKPXLZECR-PBHICJAKSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615356 564427253 /nfs/dbraw/zinc/42/72/53/564427253.db2.gz LHMVQMKPXLZECR-PBHICJAKSA-N 2 2 390.329 2.946 20 0 GFADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446063 564440714 /nfs/dbraw/zinc/44/07/14/564440714.db2.gz NKDUXRKQKOGYCX-DOTOQJQBSA-N 2 2 388.599 2.768 20 0 GFADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446063 564440717 /nfs/dbraw/zinc/44/07/17/564440717.db2.gz NKDUXRKQKOGYCX-DOTOQJQBSA-N 2 2 388.599 2.768 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943668 564441797 /nfs/dbraw/zinc/44/17/97/564441797.db2.gz FHEPXQJWFUSQDJ-HIFRSBDPSA-N 2 2 382.917 2.500 20 0 GFADLP CC[NH+](CC)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546120588 564445797 /nfs/dbraw/zinc/44/57/97/564445797.db2.gz HMSBRXKQRAIWRM-UHFFFAOYSA-N 2 2 382.306 2.546 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000569292358 564457537 /nfs/dbraw/zinc/45/75/37/564457537.db2.gz LELFTYVDALPDFY-KRWDZBQOSA-N 2 2 380.330 2.750 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262299 564467139 /nfs/dbraw/zinc/46/71/39/564467139.db2.gz JREAKWNAVDZVQR-YCPHGPKFSA-N 2 2 399.354 2.884 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262299 564467144 /nfs/dbraw/zinc/46/71/44/564467144.db2.gz JREAKWNAVDZVQR-YCPHGPKFSA-N 2 2 399.354 2.884 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)[nH+]c12 ZINC000546823355 564469730 /nfs/dbraw/zinc/46/97/30/564469730.db2.gz LQLXNUXAPTWXGF-CHWSQXEVSA-N 2 2 379.302 2.894 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083079 564493449 /nfs/dbraw/zinc/49/34/49/564493449.db2.gz LKFUGCXTQBNFQX-ZFWWWQNUSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083079 564493453 /nfs/dbraw/zinc/49/34/53/564493453.db2.gz LKFUGCXTQBNFQX-ZFWWWQNUSA-N 2 2 391.313 2.849 20 0 GFADLP CN(C)c1cc(NC(=O)NCCC2CC[NH+](C)CC2)[nH+]cc1Br ZINC000570288415 564500179 /nfs/dbraw/zinc/50/01/79/564500179.db2.gz BYRXLPRGVATPHH-UHFFFAOYSA-N 2 2 384.322 2.764 20 0 GFADLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000571210963 564541163 /nfs/dbraw/zinc/54/11/63/564541163.db2.gz SALMEUQDQYHXAT-CQSZACIVSA-N 2 2 378.318 2.851 20 0 GFADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519825856 564592264 /nfs/dbraw/zinc/59/22/64/564592264.db2.gz NTSMUBDQBAYGOJ-CKEIUWERSA-N 2 2 380.330 2.782 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573204013 564628231 /nfs/dbraw/zinc/62/82/31/564628231.db2.gz BOLIHLKQCNGSCM-XJKSGUPXSA-N 2 2 382.892 2.960 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573204013 564628235 /nfs/dbraw/zinc/62/82/35/564628235.db2.gz BOLIHLKQCNGSCM-XJKSGUPXSA-N 2 2 382.892 2.960 20 0 GFADLP C[NH+]1CCC(CNC(=O)COc2ccsc2Cl)([NH+]2CCCCC2)CC1 ZINC000573465398 564639632 /nfs/dbraw/zinc/63/96/32/564639632.db2.gz BOCKQOSKJSIUCE-UHFFFAOYSA-N 2 2 385.961 2.847 20 0 GFADLP CCC[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954726 564661975 /nfs/dbraw/zinc/66/19/75/564661975.db2.gz SUMDCVSPWDOWDE-AWEZNQCLSA-N 2 2 389.359 2.544 20 0 GFADLP CCC[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954726 564661977 /nfs/dbraw/zinc/66/19/77/564661977.db2.gz SUMDCVSPWDOWDE-AWEZNQCLSA-N 2 2 389.359 2.544 20 0 GFADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527672635 564754097 /nfs/dbraw/zinc/75/40/97/564754097.db2.gz BSBUQFGJMUGKHP-DLBZAZTESA-N 2 2 386.309 2.841 20 0 GFADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527672636 564754378 /nfs/dbraw/zinc/75/43/78/564754378.db2.gz BSBUQFGJMUGKHP-IAGOWNOFSA-N 2 2 386.309 2.841 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527693857 564756396 /nfs/dbraw/zinc/75/63/96/564756396.db2.gz ZLLUDVFZUWNROP-MRXNPFEDSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527693857 564756399 /nfs/dbraw/zinc/75/63/99/564756399.db2.gz ZLLUDVFZUWNROP-MRXNPFEDSA-N 2 2 394.288 2.840 20 0 GFADLP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CC2 ZINC000580440821 564759363 /nfs/dbraw/zinc/75/93/63/564759363.db2.gz SCBDMKROFNUULG-LLVKDONJSA-N 2 2 378.274 2.616 20 0 GFADLP Brc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026923 564760130 /nfs/dbraw/zinc/76/01/30/564760130.db2.gz BIADPELXLRWPAE-LJQANCHMSA-N 2 2 394.357 2.861 20 0 GFADLP Brc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026923 564760135 /nfs/dbraw/zinc/76/01/35/564760135.db2.gz BIADPELXLRWPAE-LJQANCHMSA-N 2 2 394.357 2.861 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866895 564974982 /nfs/dbraw/zinc/97/49/82/564974982.db2.gz NRUTXPPECKJFSU-ZDUSSCGKSA-N 2 2 377.286 2.919 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866895 564974988 /nfs/dbraw/zinc/97/49/88/564974988.db2.gz NRUTXPPECKJFSU-ZDUSSCGKSA-N 2 2 377.286 2.919 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000535004631 565001910 /nfs/dbraw/zinc/00/19/10/565001910.db2.gz NZXYVNCTYOPMPK-HOTGVXAUSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000535004631 565001913 /nfs/dbraw/zinc/00/19/13/565001913.db2.gz NZXYVNCTYOPMPK-HOTGVXAUSA-N 2 2 381.973 2.983 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1Br ZINC000469484203 565018884 /nfs/dbraw/zinc/01/88/84/565018884.db2.gz PYEHAQHFULZTMJ-UHFFFAOYSA-N 2 2 398.345 2.952 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067427 565027978 /nfs/dbraw/zinc/02/79/78/565027978.db2.gz QGMGZRJFBUXSPY-CHWSQXEVSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067427 565027983 /nfs/dbraw/zinc/02/79/83/565027983.db2.gz QGMGZRJFBUXSPY-CHWSQXEVSA-N 2 2 377.286 2.999 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175087 565031506 /nfs/dbraw/zinc/03/15/06/565031506.db2.gz CACZAAUYOUVGFE-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175087 565031508 /nfs/dbraw/zinc/03/15/08/565031508.db2.gz CACZAAUYOUVGFE-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989256 565051313 /nfs/dbraw/zinc/05/13/13/565051313.db2.gz GFDQIFHGOBJDPZ-ZOWXZIJZSA-N 2 2 378.847 2.501 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989256 565051315 /nfs/dbraw/zinc/05/13/15/565051315.db2.gz GFDQIFHGOBJDPZ-ZOWXZIJZSA-N 2 2 378.847 2.501 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228734 565155774 /nfs/dbraw/zinc/15/57/74/565155774.db2.gz LRYYWFPDKIOEFH-HOCLYGCPSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228734 565155777 /nfs/dbraw/zinc/15/57/77/565155777.db2.gz LRYYWFPDKIOEFH-HOCLYGCPSA-N 2 2 382.346 2.996 20 0 GFADLP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474178 565159054 /nfs/dbraw/zinc/15/90/54/565159054.db2.gz XCWFUJJQWJSLCU-MLGOLLRUSA-N 2 2 382.295 2.717 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnn2c1 ZINC000638184591 565187556 /nfs/dbraw/zinc/18/75/56/565187556.db2.gz YSDHNAWZSQETBD-GUYCJALGSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184591 565187559 /nfs/dbraw/zinc/18/75/59/565187559.db2.gz YSDHNAWZSQETBD-GUYCJALGSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184591 565187562 /nfs/dbraw/zinc/18/75/62/565187562.db2.gz YSDHNAWZSQETBD-GUYCJALGSA-N 2 2 390.329 2.941 20 0 GFADLP COc1nsc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1Br ZINC000638730457 565208504 /nfs/dbraw/zinc/20/85/04/565208504.db2.gz WKYHEZPWANWOEF-UHFFFAOYSA-N 2 2 392.363 2.893 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000659287278 565210199 /nfs/dbraw/zinc/21/01/99/565210199.db2.gz YJYBJGJGICAGRY-WBVHZDCISA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1Cl ZINC000659278692 565210363 /nfs/dbraw/zinc/21/03/63/565210363.db2.gz QODTYSLJDHTQID-QGZVFWFLSA-N 2 2 379.291 2.998 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647918 565222268 /nfs/dbraw/zinc/22/22/68/565222268.db2.gz YRXLLFNGECBHFW-RHSMWYFYSA-N 2 2 397.361 2.835 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(Br)cc1F ZINC000617767171 565258739 /nfs/dbraw/zinc/25/87/39/565258739.db2.gz JKPWTEMUONWDGR-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(Br)cc1F ZINC000617767171 565258744 /nfs/dbraw/zinc/25/87/44/565258744.db2.gz JKPWTEMUONWDGR-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595295 565484153 /nfs/dbraw/zinc/48/41/53/565484153.db2.gz WYBKYCXVXXYJCH-INIZCTEOSA-N 2 2 384.307 2.850 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595295 565484155 /nfs/dbraw/zinc/48/41/55/565484155.db2.gz WYBKYCXVXXYJCH-INIZCTEOSA-N 2 2 384.307 2.850 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252330 565494584 /nfs/dbraw/zinc/49/45/84/565494584.db2.gz MYQXGECSAQQKFT-ZTFGCOKTSA-N 2 2 390.325 2.735 20 0 GFADLP OC[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645357 565522858 /nfs/dbraw/zinc/52/28/58/565522858.db2.gz YTFSCGRNWOGIJK-SFHVURJKSA-N 2 2 376.298 2.601 20 0 GFADLP Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645407563 565523665 /nfs/dbraw/zinc/52/36/65/565523665.db2.gz DWIUIEFBYDMHBH-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645407563 565523668 /nfs/dbraw/zinc/52/36/68/565523668.db2.gz DWIUIEFBYDMHBH-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)Cn3cc(Br)ccc3=O)cn21 ZINC000647363671 565658758 /nfs/dbraw/zinc/65/87/58/565658758.db2.gz GVHVUEVYSLHUGA-ZDUSSCGKSA-N 2 2 389.297 2.788 20 0 GFADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497371 565661823 /nfs/dbraw/zinc/66/18/23/565661823.db2.gz FETHAAYKHYUAKC-PBHICJAKSA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497371 565661826 /nfs/dbraw/zinc/66/18/26/565661826.db2.gz FETHAAYKHYUAKC-PBHICJAKSA-N 2 2 382.346 2.845 20 0 GFADLP CCOc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc(Br)c1O ZINC000668792659 565667093 /nfs/dbraw/zinc/66/70/93/565667093.db2.gz GFLKNFYDWATYQD-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1Br ZINC000628062997 565772195 /nfs/dbraw/zinc/77/21/95/565772195.db2.gz WIPPUNGDGVOYEU-UHFFFAOYSA-N 2 2 384.362 2.988 20 0 GFADLP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1Br ZINC000628062997 565772200 /nfs/dbraw/zinc/77/22/00/565772200.db2.gz WIPPUNGDGVOYEU-UHFFFAOYSA-N 2 2 384.362 2.988 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563282 565858949 /nfs/dbraw/zinc/85/89/49/565858949.db2.gz DNYZILPLERJPKN-UXIGCNINSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563282 565858952 /nfs/dbraw/zinc/85/89/52/565858952.db2.gz DNYZILPLERJPKN-UXIGCNINSA-N 2 2 377.838 2.804 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560483 565859429 /nfs/dbraw/zinc/85/94/29/565859429.db2.gz FIJROPHXBDCVEA-BYCMXARLSA-N 2 2 375.822 2.904 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560483 565859433 /nfs/dbraw/zinc/85/94/33/565859433.db2.gz FIJROPHXBDCVEA-BYCMXARLSA-N 2 2 375.822 2.904 20 0 GFADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573411 565860754 /nfs/dbraw/zinc/86/07/54/565860754.db2.gz BIVBUKRJQFGDOZ-ZBFHGGJFSA-N 2 2 386.323 2.535 20 0 GFADLP C[NH2+]C1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1 ZINC000630002585 565879826 /nfs/dbraw/zinc/87/98/26/565879826.db2.gz WVDSIZOCBWBAEO-INIZCTEOSA-N 2 2 380.330 2.844 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000653057875 565953103 /nfs/dbraw/zinc/95/31/03/565953103.db2.gz UNFWMQIWXBFETK-LBPRGKRZSA-N 2 2 383.315 2.790 20 0 GFADLP C[C@@H](NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C1CC[NH+](C)CC1 ZINC000653653612 565976248 /nfs/dbraw/zinc/97/62/48/565976248.db2.gz VCGJKALCUKDFPG-LLVKDONJSA-N 2 2 384.322 2.762 20 0 GFADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815019 566101676 /nfs/dbraw/zinc/10/16/76/566101676.db2.gz IXKNGSDYQYDGEU-HOTGVXAUSA-N 2 2 387.309 2.578 20 0 GFADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815019 566101679 /nfs/dbraw/zinc/10/16/79/566101679.db2.gz IXKNGSDYQYDGEU-HOTGVXAUSA-N 2 2 387.309 2.578 20 0 GFADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000656257915 566118637 /nfs/dbraw/zinc/11/86/37/566118637.db2.gz MGEXNVHUJQWQHF-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000656257915 566118639 /nfs/dbraw/zinc/11/86/39/566118639.db2.gz MGEXNVHUJQWQHF-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000656257915 566118644 /nfs/dbraw/zinc/11/86/44/566118644.db2.gz MGEXNVHUJQWQHF-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000656257915 566118646 /nfs/dbraw/zinc/11/86/46/566118646.db2.gz MGEXNVHUJQWQHF-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(Cl)cc3-c3nn[nH]n3)CC2)CC1 ZINC000820128564 607331747 /nfs/dbraw/zinc/33/17/47/607331747.db2.gz QSQMAHQHENVLDS-UHFFFAOYSA-N 2 2 389.935 2.515 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1-c1nn[nH]n1 ZINC000826331937 608315330 /nfs/dbraw/zinc/31/53/30/608315330.db2.gz DUYBOLMLGVUFRO-KRWDZBQOSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1-c1nn[nH]n1 ZINC000826331937 608315332 /nfs/dbraw/zinc/31/53/32/608315332.db2.gz DUYBOLMLGVUFRO-KRWDZBQOSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826331937 608315334 /nfs/dbraw/zinc/31/53/34/608315334.db2.gz DUYBOLMLGVUFRO-KRWDZBQOSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826331937 608315335 /nfs/dbraw/zinc/31/53/35/608315335.db2.gz DUYBOLMLGVUFRO-KRWDZBQOSA-N 2 2 394.527 2.667 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cn3nc(C)c(Br)c3C)CC2)CC1 ZINC000817374579 660192368 /nfs/dbraw/zinc/19/23/68/660192368.db2.gz XRYMZDHZAKHWBU-UHFFFAOYSA-N 2 2 398.393 2.712 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cn3nc(C)c(Br)c3C)CC2)CC1 ZINC000817374579 660192369 /nfs/dbraw/zinc/19/23/69/660192369.db2.gz XRYMZDHZAKHWBU-UHFFFAOYSA-N 2 2 398.393 2.712 20 0 GFADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341601 654517963 /nfs/dbraw/zinc/51/79/63/654517963.db2.gz NDRWTBCJGODBRB-OAHLLOKOSA-N 2 2 387.977 2.696 20 0 GFADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341601 654517965 /nfs/dbraw/zinc/51/79/65/654517965.db2.gz NDRWTBCJGODBRB-OAHLLOKOSA-N 2 2 387.977 2.696 20 0 GFADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341601 654517967 /nfs/dbraw/zinc/51/79/67/654517967.db2.gz NDRWTBCJGODBRB-OAHLLOKOSA-N 2 2 387.977 2.696 20 0 GFADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341601 654517969 /nfs/dbraw/zinc/51/79/69/654517969.db2.gz NDRWTBCJGODBRB-OAHLLOKOSA-N 2 2 387.977 2.696 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132807 655017721 /nfs/dbraw/zinc/01/77/21/655017721.db2.gz VNXIONJAFDZPTQ-ZDUSSCGKSA-N 2 2 388.375 2.731 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132807 655017722 /nfs/dbraw/zinc/01/77/22/655017722.db2.gz VNXIONJAFDZPTQ-ZDUSSCGKSA-N 2 2 388.375 2.731 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715578 655206133 /nfs/dbraw/zinc/20/61/33/655206133.db2.gz RFOFCDSILSRNKL-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715578 655206137 /nfs/dbraw/zinc/20/61/37/655206137.db2.gz RFOFCDSILSRNKL-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)s1 ZINC000265097590 655477355 /nfs/dbraw/zinc/47/73/55/655477355.db2.gz FSQJCQSARDVXKT-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)s1 ZINC000265097590 655477356 /nfs/dbraw/zinc/47/73/56/655477356.db2.gz FSQJCQSARDVXKT-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000841099780 661232977 /nfs/dbraw/zinc/23/29/77/661232977.db2.gz OUEDLDHWSSDBLG-YOEHRIQHSA-N 2 2 393.329 2.815 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCn3cc(Br)cn3)CC2)cc1 ZINC000797101889 658979843 /nfs/dbraw/zinc/97/98/43/658979843.db2.gz WPJHWFJUWVZVAW-UHFFFAOYSA-N 2 2 392.345 2.970 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000855415917 661991570 /nfs/dbraw/zinc/99/15/70/661991570.db2.gz BMBBBSSAQBYESX-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000855415917 661991571 /nfs/dbraw/zinc/99/15/71/661991571.db2.gz BMBBBSSAQBYESX-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[N@@H+](Cc1cc(Br)c(Cl)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000872142568 662756428 /nfs/dbraw/zinc/75/64/28/662756428.db2.gz AGNNNFOXSNLIGH-QMMMGPOBSA-N 2 2 386.515 2.616 20 0 GFADLP C[N@H+](Cc1cc(Br)c(Cl)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000872142568 662756431 /nfs/dbraw/zinc/75/64/31/662756431.db2.gz AGNNNFOXSNLIGH-QMMMGPOBSA-N 2 2 386.515 2.616 20 0 GFADLP CC(C)[C@@H](C[NH2+]Cc1nc(Cl)ccc1Br)N1CC[NH+](C)CC1 ZINC000876924971 662868277 /nfs/dbraw/zinc/86/82/77/662868277.db2.gz YCCOZVPHJBDHLO-OAHLLOKOSA-N 2 2 389.769 2.859 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H](C[NH+](C)C)OCC)cc(Br)c1O ZINC000896879992 663580356 /nfs/dbraw/zinc/58/03/56/663580356.db2.gz KQGPEWKOSMZIGT-ZDUSSCGKSA-N 2 2 375.307 2.610 20 0 GFADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)n1 ZINC000924687261 664659578 /nfs/dbraw/zinc/65/95/78/664659578.db2.gz ANLUPWAUEHLWOQ-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000924806862 664662107 /nfs/dbraw/zinc/66/21/07/664662107.db2.gz FYLBZDQYGOAFFP-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585032 664673387 /nfs/dbraw/zinc/67/33/87/664673387.db2.gz RKLGFUUEMVHVQD-JOQOYGCGSA-N 2 2 379.298 2.867 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000926115666 664682170 /nfs/dbraw/zinc/68/21/70/664682170.db2.gz MKEKHFFVILXNEZ-UHFFFAOYSA-N 2 2 398.330 2.603 20 0 GFADLP Cc1[nH+]ccn1CC[N@@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934324961 664898844 /nfs/dbraw/zinc/89/88/44/664898844.db2.gz LOOBIFUUOWMRML-UHFFFAOYSA-N 2 2 378.196 2.685 20 0 GFADLP Cc1[nH+]ccn1CC[N@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934324961 664898845 /nfs/dbraw/zinc/89/88/45/664898845.db2.gz LOOBIFUUOWMRML-UHFFFAOYSA-N 2 2 378.196 2.685 20 0 GFADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615491 719004118 /nfs/dbraw/zinc/00/41/18/719004118.db2.gz HBLSAIVSHYDEIX-QEUVDIPISA-N 2 2 386.540 2.748 20 0 GFADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615491 719004122 /nfs/dbraw/zinc/00/41/22/719004122.db2.gz HBLSAIVSHYDEIX-QEUVDIPISA-N 2 2 386.540 2.748 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806401 720066679 /nfs/dbraw/zinc/06/66/79/720066679.db2.gz CBXUKAHJECFEQX-DENIHFKCSA-N 2 2 385.556 2.792 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806401 720066685 /nfs/dbraw/zinc/06/66/85/720066685.db2.gz CBXUKAHJECFEQX-DENIHFKCSA-N 2 2 385.556 2.792 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749969 720880232 /nfs/dbraw/zinc/88/02/32/720880232.db2.gz IEVBPFMBSIOIIZ-OFNKIYASSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749969 720880234 /nfs/dbraw/zinc/88/02/34/720880234.db2.gz IEVBPFMBSIOIIZ-OFNKIYASSA-N 2 2 393.535 2.814 20 0 GFADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164878608 721289556 /nfs/dbraw/zinc/28/95/56/721289556.db2.gz RLUKIWBZVFRQFI-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP Cc1cccc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164878608 721289559 /nfs/dbraw/zinc/28/95/59/721289559.db2.gz RLUKIWBZVFRQFI-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164994457 722203837 /nfs/dbraw/zinc/20/38/37/722203837.db2.gz HHFAKWRYCMQFEA-JOCHJYFZSA-N 2 2 397.498 2.697 20 0 GFADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164994457 722203840 /nfs/dbraw/zinc/20/38/40/722203840.db2.gz HHFAKWRYCMQFEA-JOCHJYFZSA-N 2 2 397.498 2.697 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000045658556 551147215 /nfs/dbraw/zinc/14/72/15/551147215.db2.gz GYBLORIDEYFTKI-QGZVFWFLSA-N 2 2 378.567 2.940 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2cccc(Br)n2)([NH+]2CCCCC2)CC1 ZINC000155221207 551495046 /nfs/dbraw/zinc/49/50/46/551495046.db2.gz FAMIMAAWVCJATQ-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157150573 551533727 /nfs/dbraw/zinc/53/37/27/551533727.db2.gz MHNYNJDXSPSMFH-QGZVFWFLSA-N 2 2 391.313 2.664 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158728861 551555570 /nfs/dbraw/zinc/55/55/70/551555570.db2.gz FZUAHYGXWUTSNK-AEFFLSMTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158728861 551555571 /nfs/dbraw/zinc/55/55/71/551555571.db2.gz FZUAHYGXWUTSNK-AEFFLSMTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158728861 551555572 /nfs/dbraw/zinc/55/55/72/551555572.db2.gz FZUAHYGXWUTSNK-AEFFLSMTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158728861 551555573 /nfs/dbraw/zinc/55/55/73/551555573.db2.gz FZUAHYGXWUTSNK-AEFFLSMTSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162247410 551605153 /nfs/dbraw/zinc/60/51/53/551605153.db2.gz BLRPMECBJCYLEX-AWEZNQCLSA-N 2 2 378.318 2.683 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000175072045 552115409 /nfs/dbraw/zinc/11/54/09/552115409.db2.gz KIVZLSZJAUWCSV-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP Brc1ccc2[nH]c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000184948763 552349053 /nfs/dbraw/zinc/34/90/53/552349053.db2.gz KDYWVAKBFYTHGT-UHFFFAOYSA-N 2 2 393.329 2.870 20 0 GFADLP Brc1ccc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000184948763 552349055 /nfs/dbraw/zinc/34/90/55/552349055.db2.gz KDYWVAKBFYTHGT-UHFFFAOYSA-N 2 2 393.329 2.870 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000186981526 552402894 /nfs/dbraw/zinc/40/28/94/552402894.db2.gz ZHKWVVIRMPAVNM-CZUORRHYSA-N 2 2 387.341 2.906 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446169 552496367 /nfs/dbraw/zinc/49/63/67/552496367.db2.gz HQZHGNBJRZYHOX-UONOGXRCSA-N 2 2 398.345 2.661 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000191248261 552522631 /nfs/dbraw/zinc/52/26/31/552522631.db2.gz ORFTUOKCXSJBKO-UHFFFAOYSA-N 2 2 375.822 2.712 20 0 GFADLP Cc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1Br ZINC000261786274 553159075 /nfs/dbraw/zinc/15/90/75/553159075.db2.gz QLSIIDAFJXTUAM-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000261843453 553161016 /nfs/dbraw/zinc/16/10/16/553161016.db2.gz VCUSZGSXGWJRCK-SJCJKPOMSA-N 2 2 377.286 2.752 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295127908 563230194 /nfs/dbraw/zinc/23/01/94/563230194.db2.gz OEAZZIAYCNTZNY-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295127908 563230198 /nfs/dbraw/zinc/23/01/98/563230198.db2.gz OEAZZIAYCNTZNY-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP CN(C(=O)c1ccc(F)cc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832866 563257163 /nfs/dbraw/zinc/25/71/63/563257163.db2.gz ZNAZIVKPBOPCOT-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(F)cc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832866 563257165 /nfs/dbraw/zinc/25/71/65/563257165.db2.gz ZNAZIVKPBOPCOT-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831082 563257641 /nfs/dbraw/zinc/25/76/41/563257641.db2.gz RWNMARSHWWRXCW-QGZVFWFLSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831082 563257642 /nfs/dbraw/zinc/25/76/42/563257642.db2.gz RWNMARSHWWRXCW-QGZVFWFLSA-N 2 2 380.330 2.690 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830535 563257721 /nfs/dbraw/zinc/25/77/21/563257721.db2.gz NQFPSCZKKRSMOL-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830535 563257723 /nfs/dbraw/zinc/25/77/23/563257723.db2.gz NQFPSCZKKRSMOL-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278524222 563260280 /nfs/dbraw/zinc/26/02/80/563260280.db2.gz QQAZEERZTNENRK-ZDUSSCGKSA-N 2 2 378.318 2.893 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COc3ccsc3Cl)CC2)CC1 ZINC000422021553 563328165 /nfs/dbraw/zinc/32/81/65/563328165.db2.gz NTWROVRUXWYXCC-UHFFFAOYSA-N 2 2 385.961 2.799 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COc3ccsc3Cl)CC2)CC1 ZINC000422021553 563328169 /nfs/dbraw/zinc/32/81/69/563328169.db2.gz NTWROVRUXWYXCC-UHFFFAOYSA-N 2 2 385.961 2.799 20 0 GFADLP C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422759586 563349378 /nfs/dbraw/zinc/34/93/78/563349378.db2.gz LBSDRWGICUCENT-WFASDCNBSA-N 2 2 389.359 2.732 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884410 563350175 /nfs/dbraw/zinc/35/01/75/563350175.db2.gz WULOCDPMHPMSDJ-QAPCUYQASA-N 2 2 397.357 2.854 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933087 563350896 /nfs/dbraw/zinc/35/08/96/563350896.db2.gz BGBZVGWYDLWTGY-HLLBOEOZSA-N 2 2 382.346 2.632 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219078 563359460 /nfs/dbraw/zinc/35/94/60/563359460.db2.gz VUOHBQFTMYWLOZ-LSDHHAIUSA-N 2 2 396.276 2.549 20 0 GFADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423571295 563362043 /nfs/dbraw/zinc/36/20/43/563362043.db2.gz NOVGUZOZSIODOK-JQWIXIFHSA-N 2 2 379.810 2.654 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338523 563400738 /nfs/dbraw/zinc/40/07/38/563400738.db2.gz RPRSPQDCTWDWTN-QGZVFWFLSA-N 2 2 396.373 2.850 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338523 563400740 /nfs/dbraw/zinc/40/07/40/563400740.db2.gz RPRSPQDCTWDWTN-QGZVFWFLSA-N 2 2 396.373 2.850 20 0 GFADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000425506075 563425509 /nfs/dbraw/zinc/42/55/09/563425509.db2.gz CRKCFLIVSWTRGN-DLBZAZTESA-N 2 2 392.297 2.924 20 0 GFADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000425506075 563425513 /nfs/dbraw/zinc/42/55/13/563425513.db2.gz CRKCFLIVSWTRGN-DLBZAZTESA-N 2 2 392.297 2.924 20 0 GFADLP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330586 563503041 /nfs/dbraw/zinc/50/30/41/563503041.db2.gz BLXIROYLWXMQDK-HOTGVXAUSA-N 2 2 393.329 2.518 20 0 GFADLP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330586 563503042 /nfs/dbraw/zinc/50/30/42/563503042.db2.gz BLXIROYLWXMQDK-HOTGVXAUSA-N 2 2 393.329 2.518 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C(C)(C)n3cncn3)[nH+]c12 ZINC000285243016 563510536 /nfs/dbraw/zinc/51/05/36/563510536.db2.gz PRXHYNMVPBKZBW-ZDUSSCGKSA-N 2 2 391.317 2.953 20 0 GFADLP OCC[NH+]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433030912 563601215 /nfs/dbraw/zinc/60/12/15/563601215.db2.gz XNDVUNFAXPHBPX-UHFFFAOYSA-N 2 2 376.298 2.989 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435373013 563649028 /nfs/dbraw/zinc/64/90/28/563649028.db2.gz CSDWDTUCYMEGNR-KGLIPLIRSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435373013 563649029 /nfs/dbraw/zinc/64/90/29/563649029.db2.gz CSDWDTUCYMEGNR-KGLIPLIRSA-N 2 2 399.329 2.869 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360694022 563694394 /nfs/dbraw/zinc/69/43/94/563694394.db2.gz VLVVFXNHHKMCRB-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360694022 563694395 /nfs/dbraw/zinc/69/43/95/563694395.db2.gz VLVVFXNHHKMCRB-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019414 563695417 /nfs/dbraw/zinc/69/54/17/563695417.db2.gz ZWVNFPDSULOCDN-KSSFIOAISA-N 2 2 384.362 2.990 20 0 GFADLP COc1ccc([C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019414 563695420 /nfs/dbraw/zinc/69/54/20/563695420.db2.gz ZWVNFPDSULOCDN-KSSFIOAISA-N 2 2 384.362 2.990 20 0 GFADLP CS(=O)(=O)Cc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000291190957 563734078 /nfs/dbraw/zinc/73/40/78/563734078.db2.gz PEFUMNUVSXTACI-UHFFFAOYSA-N 2 2 378.460 2.738 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414968868 563755209 /nfs/dbraw/zinc/75/52/09/563755209.db2.gz DGKLYPFGRIZAHH-KDOFPFPSSA-N 2 2 392.341 2.863 20 0 GFADLP COCC1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CC[NH2+]CC1 ZINC000414977470 563755964 /nfs/dbraw/zinc/75/59/64/563755964.db2.gz QVXOBALFUQPNDW-UHFFFAOYSA-N 3 2 381.318 2.511 20 0 GFADLP COc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(I)c1OC ZINC000415067935 563757703 /nfs/dbraw/zinc/75/77/03/563757703.db2.gz LSBFSFWOPAWOOT-GFCCVEGCSA-N 2 2 390.265 2.540 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091888 563758890 /nfs/dbraw/zinc/75/88/90/563758890.db2.gz DIJCSMNCEWZAFT-PWSUYJOCSA-N 2 2 379.810 2.654 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958431 563770356 /nfs/dbraw/zinc/77/03/56/563770356.db2.gz ZGMTWBHOFRRPMU-YOEHRIQHSA-N 2 2 378.318 2.541 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958431 563770358 /nfs/dbraw/zinc/77/03/58/563770358.db2.gz ZGMTWBHOFRRPMU-YOEHRIQHSA-N 2 2 378.318 2.541 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365584226 563787701 /nfs/dbraw/zinc/78/77/01/563787701.db2.gz KWGWJIKYUYZNTN-OAHLLOKOSA-N 2 2 397.361 2.730 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365584226 563787704 /nfs/dbraw/zinc/78/77/04/563787704.db2.gz KWGWJIKYUYZNTN-OAHLLOKOSA-N 2 2 397.361 2.730 20 0 GFADLP C[C@]([NH3+])(C(=O)NCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000294110840 563831658 /nfs/dbraw/zinc/83/16/58/563831658.db2.gz OKWWKWMMPDXPDE-QGZVFWFLSA-N 2 2 377.286 2.636 20 0 GFADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](Cc2cccs2)CC1)N1CCOCC1 ZINC000367712392 563852834 /nfs/dbraw/zinc/85/28/34/563852834.db2.gz JMYYODDEFMCZGQ-INIZCTEOSA-N 2 2 377.476 2.565 20 0 GFADLP CCCN(C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC[NH2+]CC1 ZINC000417216206 563873816 /nfs/dbraw/zinc/87/38/16/563873816.db2.gz JHTNIZBIJXFZNT-UHFFFAOYSA-N 2 2 394.317 2.770 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)[nH+]c12 ZINC000418016975 563895453 /nfs/dbraw/zinc/89/54/53/563895453.db2.gz GJZJBDOQFUKREI-JSGCOSHPSA-N 2 2 394.317 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)[nH+]c12 ZINC000418027764 563896129 /nfs/dbraw/zinc/89/61/29/563896129.db2.gz XJUOQLVVHAXLDX-QWHCGFSZSA-N 2 2 394.317 2.674 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173960 563907850 /nfs/dbraw/zinc/90/78/50/563907850.db2.gz OPMOMWONBMEUFE-XEZPLFJOSA-N 2 2 398.345 2.535 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449173960 563907852 /nfs/dbraw/zinc/90/78/52/563907852.db2.gz OPMOMWONBMEUFE-XEZPLFJOSA-N 2 2 398.345 2.535 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1Cc1ccccc1 ZINC000449373730 564182336 /nfs/dbraw/zinc/18/23/36/564182336.db2.gz CLJPFQOSSZSWIA-QAPCUYQASA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1Cc1ccccc1 ZINC000449373730 564182338 /nfs/dbraw/zinc/18/23/38/564182338.db2.gz CLJPFQOSSZSWIA-QAPCUYQASA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449390422 564185063 /nfs/dbraw/zinc/18/50/63/564185063.db2.gz WATFZBXNBIRKTF-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449390422 564185066 /nfs/dbraw/zinc/18/50/66/564185066.db2.gz WATFZBXNBIRKTF-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1O ZINC000539840894 564230071 /nfs/dbraw/zinc/23/00/71/564230071.db2.gz LBALTRNPQGFSKS-CQSZACIVSA-N 2 2 398.345 2.643 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1O ZINC000539840894 564230077 /nfs/dbraw/zinc/23/00/77/564230077.db2.gz LBALTRNPQGFSKS-CQSZACIVSA-N 2 2 398.345 2.643 20 0 GFADLP Cc1cc(Br)cn2c(C[NH+]3CCC(OCC[NH+](C)C)CC3)cnc12 ZINC000541537426 564282404 /nfs/dbraw/zinc/28/24/04/564282404.db2.gz HHLKIEOOYUPZEF-UHFFFAOYSA-N 2 2 395.345 2.948 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCC(OCC[NH+](C)C)CC3)c[nH+]c12 ZINC000541537426 564282407 /nfs/dbraw/zinc/28/24/07/564282407.db2.gz HHLKIEOOYUPZEF-UHFFFAOYSA-N 2 2 395.345 2.948 20 0 GFADLP NC(=O)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000475429584 564307987 /nfs/dbraw/zinc/30/79/87/564307987.db2.gz NOSCMRMMGLMRKJ-KRWDZBQOSA-N 2 2 385.265 2.951 20 0 GFADLP Brc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230282 564318468 /nfs/dbraw/zinc/31/84/68/564318468.db2.gz YAPHHFYURYKYQR-LJQANCHMSA-N 2 2 394.357 2.861 20 0 GFADLP Brc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230282 564318471 /nfs/dbraw/zinc/31/84/71/564318471.db2.gz YAPHHFYURYKYQR-LJQANCHMSA-N 2 2 394.357 2.861 20 0 GFADLP O=C(C[NH2+]CC1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000566736509 564341439 /nfs/dbraw/zinc/34/14/39/564341439.db2.gz CTDCBKRNIDNSOR-UHFFFAOYSA-N 2 2 391.313 2.674 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000566854765 564346727 /nfs/dbraw/zinc/34/67/27/564346727.db2.gz LTKKWQPMUIEHCZ-COXVUDFISA-N 2 2 380.330 2.700 20 0 GFADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477641919 564383296 /nfs/dbraw/zinc/38/32/96/564383296.db2.gz YGNPKNLUUDWPHC-GOSISDBHSA-N 2 2 392.341 2.964 20 0 GFADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477641919 564383301 /nfs/dbraw/zinc/38/33/01/564383301.db2.gz YGNPKNLUUDWPHC-GOSISDBHSA-N 2 2 392.341 2.964 20 0 GFADLP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000568630362 564427600 /nfs/dbraw/zinc/42/76/00/564427600.db2.gz IOXNVZSKYRXSQB-KRWDZBQOSA-N 2 2 385.339 2.692 20 0 GFADLP O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000568630362 564427602 /nfs/dbraw/zinc/42/76/02/564427602.db2.gz IOXNVZSKYRXSQB-KRWDZBQOSA-N 2 2 385.339 2.692 20 0 GFADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364954 564437674 /nfs/dbraw/zinc/43/76/74/564437674.db2.gz SJYKHUUGMVSKEH-QWRGUYRKSA-N 2 2 380.341 2.633 20 0 GFADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364954 564437677 /nfs/dbraw/zinc/43/76/77/564437677.db2.gz SJYKHUUGMVSKEH-QWRGUYRKSA-N 2 2 380.341 2.633 20 0 GFADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227106 564465228 /nfs/dbraw/zinc/46/52/28/564465228.db2.gz MWYPGZSMNZAVFY-IUODEOHRSA-N 2 2 387.343 2.599 20 0 GFADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227106 564465229 /nfs/dbraw/zinc/46/52/29/564465229.db2.gz MWYPGZSMNZAVFY-IUODEOHRSA-N 2 2 387.343 2.599 20 0 GFADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3Br)C2)cc(OC)c1 ZINC000547835563 564513732 /nfs/dbraw/zinc/51/37/32/564513732.db2.gz SHZYDCPXOWKZAR-AWEZNQCLSA-N 2 2 392.297 2.970 20 0 GFADLP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3Br)C2)cc(OC)c1 ZINC000547835563 564513737 /nfs/dbraw/zinc/51/37/37/564513737.db2.gz SHZYDCPXOWKZAR-AWEZNQCLSA-N 2 2 392.297 2.970 20 0 GFADLP COc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000483614254 564570905 /nfs/dbraw/zinc/57/09/05/564570905.db2.gz IPLMWWRMIHPLCV-UHFFFAOYSA-N 2 2 399.333 2.605 20 0 GFADLP CC1(C)C[NH+](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000572660506 564604524 /nfs/dbraw/zinc/60/45/24/564604524.db2.gz JRWAWYOGQRSWFH-UHFFFAOYSA-N 2 2 394.357 2.872 20 0 GFADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(CSC)s3)cn2)CC1 ZINC000550096594 564614771 /nfs/dbraw/zinc/61/47/71/564614771.db2.gz IMAJENDHLBRPHE-UHFFFAOYSA-N 2 2 377.583 2.833 20 0 GFADLP Brc1cnn(CCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000487497890 564689361 /nfs/dbraw/zinc/68/93/61/564689361.db2.gz CSXYLIKQFKWXES-UHFFFAOYSA-N 2 2 399.256 2.672 20 0 GFADLP C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000576225559 564708689 /nfs/dbraw/zinc/70/86/89/564708689.db2.gz TUJJKEPLCLLNSD-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000489314245 564734876 /nfs/dbraw/zinc/73/48/76/564734876.db2.gz AWKAYWYAUNHORW-ZFWWWQNUSA-N 2 2 394.317 2.769 20 0 GFADLP C[N@H+](CCn1cc(Cl)cn1)[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740865 /nfs/dbraw/zinc/74/08/65/564740865.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 2 2 385.343 2.873 20 0 GFADLP C[N@@H+](CCn1cc(Cl)cn1)[C@@H]1CCC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740871 /nfs/dbraw/zinc/74/08/71/564740871.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 2 2 385.343 2.873 20 0 GFADLP C[NH+](CCn1cc(Cl)cn1)[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740874 /nfs/dbraw/zinc/74/08/74/564740874.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 2 2 385.343 2.873 20 0 GFADLP C[NH+](CCn1cc(Cl)cn1)[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740880 /nfs/dbraw/zinc/74/08/80/564740880.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 2 2 385.343 2.873 20 0 GFADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(O)c3Br)ccn2)CC1 ZINC000459381860 564742837 /nfs/dbraw/zinc/74/28/37/564742837.db2.gz VPSDSEBJUXJSBX-UHFFFAOYSA-N 2 2 391.313 2.591 20 0 GFADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(O)c2Br)nc[nH+]1 ZINC000459406567 564743384 /nfs/dbraw/zinc/74/33/84/564743384.db2.gz UKGGJMUWOWUNDM-ZDUSSCGKSA-N 2 2 392.301 2.745 20 0 GFADLP Brc1ccc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000489881419 564756610 /nfs/dbraw/zinc/75/66/10/564756610.db2.gz FQQHRCAQXDLHRB-KRWDZBQOSA-N 2 2 391.313 2.584 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571586 564764734 /nfs/dbraw/zinc/76/47/34/564764734.db2.gz AVUQXCNNLODHKP-OAHLLOKOSA-N 2 2 380.286 2.625 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571586 564764738 /nfs/dbraw/zinc/76/47/38/564764738.db2.gz AVUQXCNNLODHKP-OAHLLOKOSA-N 2 2 380.286 2.625 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721709 564815598 /nfs/dbraw/zinc/81/55/98/564815598.db2.gz MFMSVWQSBBTIOR-CHWSQXEVSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721709 564815603 /nfs/dbraw/zinc/81/56/03/564815603.db2.gz MFMSVWQSBBTIOR-CHWSQXEVSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721710 564816190 /nfs/dbraw/zinc/81/61/90/564816190.db2.gz MFMSVWQSBBTIOR-OLZOCXBDSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721710 564816195 /nfs/dbraw/zinc/81/61/95/564816195.db2.gz MFMSVWQSBBTIOR-OLZOCXBDSA-N 2 2 377.710 2.526 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876246 564844707 /nfs/dbraw/zinc/84/47/07/564844707.db2.gz KZVFNBUKZFRNRF-TZMCWYRMSA-N 2 2 379.302 2.671 20 0 GFADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000584843231 565102019 /nfs/dbraw/zinc/10/20/19/565102019.db2.gz MWDNTMULMZMAIM-MRXNPFEDSA-N 2 2 379.551 2.691 20 0 GFADLP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413016 565195449 /nfs/dbraw/zinc/19/54/49/565195449.db2.gz VYTFNMKQCGIVOU-GBESFXJTSA-N 2 2 396.373 2.631 20 0 GFADLP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413016 565195454 /nfs/dbraw/zinc/19/54/54/565195454.db2.gz VYTFNMKQCGIVOU-GBESFXJTSA-N 2 2 396.373 2.631 20 0 GFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720895 565208141 /nfs/dbraw/zinc/20/81/41/565208141.db2.gz LASFBOFDWMSQGT-GOEBONIOSA-N 2 2 379.551 2.538 20 0 GFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000638720895 565208147 /nfs/dbraw/zinc/20/81/47/565208147.db2.gz LASFBOFDWMSQGT-GOEBONIOSA-N 2 2 379.551 2.538 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329916 565212799 /nfs/dbraw/zinc/21/27/99/565212799.db2.gz MMXHUAOMADVDKS-JRATXPSKSA-N 2 2 388.339 2.868 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329916 565212802 /nfs/dbraw/zinc/21/28/02/565212802.db2.gz MMXHUAOMADVDKS-JRATXPSKSA-N 2 2 388.339 2.868 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)ccc1Cl ZINC000617768933 565258795 /nfs/dbraw/zinc/25/87/95/565258795.db2.gz ZXLWMNAOZYBTSN-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)ccc1Cl ZINC000617768933 565258797 /nfs/dbraw/zinc/25/87/97/565258797.db2.gz ZXLWMNAOZYBTSN-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cscn1 ZINC000661419724 565322597 /nfs/dbraw/zinc/32/25/97/565322597.db2.gz PTOUTXDKKLICLA-CQSZACIVSA-N 2 2 376.551 2.981 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352553 565362233 /nfs/dbraw/zinc/36/22/33/565362233.db2.gz XFQBOGZSXURQSP-CXAGYDPISA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352553 565362237 /nfs/dbraw/zinc/36/22/37/565362237.db2.gz XFQBOGZSXURQSP-CXAGYDPISA-N 2 2 388.339 2.727 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303884 565411877 /nfs/dbraw/zinc/41/18/77/565411877.db2.gz KZJIFGPGNIIXDG-CXAGYDPISA-N 2 2 396.329 2.619 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000624288204 565550183 /nfs/dbraw/zinc/55/01/83/565550183.db2.gz BXOISJRHVFEZHI-UHFFFAOYSA-N 2 2 385.325 2.980 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(Br)cc3F)CC2)CC1 ZINC000624288204 565550186 /nfs/dbraw/zinc/55/01/86/565550186.db2.gz BXOISJRHVFEZHI-UHFFFAOYSA-N 2 2 385.325 2.980 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265907 565613719 /nfs/dbraw/zinc/61/37/19/565613719.db2.gz KPQQBCDADBGDBH-BBRMVZONSA-N 2 2 389.297 2.925 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265907 565613724 /nfs/dbraw/zinc/61/37/24/565613724.db2.gz KPQQBCDADBGDBH-BBRMVZONSA-N 2 2 389.297 2.925 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010254 565671231 /nfs/dbraw/zinc/67/12/31/565671231.db2.gz MAIHGBSPYCYYMS-SJLPKXTDSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010254 565671236 /nfs/dbraw/zinc/67/12/36/565671236.db2.gz MAIHGBSPYCYYMS-SJLPKXTDSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010254 565671237 /nfs/dbraw/zinc/67/12/37/565671237.db2.gz MAIHGBSPYCYYMS-SJLPKXTDSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010254 565671241 /nfs/dbraw/zinc/67/12/41/565671241.db2.gz MAIHGBSPYCYYMS-SJLPKXTDSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010255 565671417 /nfs/dbraw/zinc/67/14/17/565671417.db2.gz MAIHGBSPYCYYMS-WMZOPIPTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010255 565671421 /nfs/dbraw/zinc/67/14/21/565671421.db2.gz MAIHGBSPYCYYMS-WMZOPIPTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010255 565671427 /nfs/dbraw/zinc/67/14/27/565671427.db2.gz MAIHGBSPYCYYMS-WMZOPIPTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010255 565671433 /nfs/dbraw/zinc/67/14/33/565671433.db2.gz MAIHGBSPYCYYMS-WMZOPIPTSA-N 2 2 385.346 2.834 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079164 565954572 /nfs/dbraw/zinc/95/45/72/565954572.db2.gz VELALAPEOSWKLM-ROUUACIJSA-N 2 2 390.325 2.934 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000653098614 565955165 /nfs/dbraw/zinc/95/51/65/565955165.db2.gz SKOVAUXCKXIFCC-KRWDZBQOSA-N 2 2 388.339 2.780 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525842 566064270 /nfs/dbraw/zinc/06/42/70/566064270.db2.gz UKXNDIXKHMKPGC-AWEZNQCLSA-N 2 2 393.746 2.574 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCC[N@H+]3C)[nH+]c12 ZINC000680459351 566072091 /nfs/dbraw/zinc/07/20/91/566072091.db2.gz PSYUSCAHNHKXGX-OAHLLOKOSA-N 2 2 379.302 2.548 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCC[N@@H+]3C)[nH+]c12 ZINC000680459351 566072097 /nfs/dbraw/zinc/07/20/97/566072097.db2.gz PSYUSCAHNHKXGX-OAHLLOKOSA-N 2 2 379.302 2.548 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000655701159 566083273 /nfs/dbraw/zinc/08/32/73/566083273.db2.gz ACEUONUQDMJRLY-OAHLLOKOSA-N 2 2 397.313 2.563 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655729620 566084689 /nfs/dbraw/zinc/08/46/89/566084689.db2.gz MFIDAOMGFPRWSZ-CYBMUJFWSA-N 2 2 394.313 2.872 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655729620 566084691 /nfs/dbraw/zinc/08/46/91/566084691.db2.gz MFIDAOMGFPRWSZ-CYBMUJFWSA-N 2 2 394.313 2.872 20 0 GFADLP C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604694 599592879 /nfs/dbraw/zinc/59/28/79/599592879.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604694 599592880 /nfs/dbraw/zinc/59/28/80/599592880.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604694 599592881 /nfs/dbraw/zinc/59/28/81/599592881.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604694 599592882 /nfs/dbraw/zinc/59/28/82/599592882.db2.gz BARUPQQURKWAPF-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521259 607511897 /nfs/dbraw/zinc/51/18/97/607511897.db2.gz GISVZDJKUPTNKU-QFIPXVFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521259 607511898 /nfs/dbraw/zinc/51/18/98/607511898.db2.gz GISVZDJKUPTNKU-QFIPXVFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521259 607511900 /nfs/dbraw/zinc/51/19/00/607511900.db2.gz GISVZDJKUPTNKU-QFIPXVFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521259 607511903 /nfs/dbraw/zinc/51/19/03/607511903.db2.gz GISVZDJKUPTNKU-QFIPXVFZSA-N 2 2 389.507 2.750 20 0 GFADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000822766450 607058338 /nfs/dbraw/zinc/05/83/38/607058338.db2.gz JKASNWDANGNNCR-UHFFFAOYSA-N 2 2 398.461 2.942 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825558 660380949 /nfs/dbraw/zinc/38/09/49/660380949.db2.gz SVCDOZKQQMUJJY-CABCVRRESA-N 2 2 376.298 2.950 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825558 660380952 /nfs/dbraw/zinc/38/09/52/660380952.db2.gz SVCDOZKQQMUJJY-CABCVRRESA-N 2 2 376.298 2.950 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000053529838 654748566 /nfs/dbraw/zinc/74/85/66/654748566.db2.gz MMWUTKMVYDGAHC-INIZCTEOSA-N 2 2 378.567 2.940 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934957 654991848 /nfs/dbraw/zinc/99/18/48/654991848.db2.gz RLEAWCQVQNZYLJ-CVEARBPZSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934957 654991851 /nfs/dbraw/zinc/99/18/51/654991851.db2.gz RLEAWCQVQNZYLJ-CVEARBPZSA-N 2 2 384.293 2.505 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370907 655120376 /nfs/dbraw/zinc/12/03/76/655120376.db2.gz PMOLOJOQFFCXGP-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370907 655120379 /nfs/dbraw/zinc/12/03/79/655120379.db2.gz PMOLOJOQFFCXGP-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[N@H+](CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000273421954 655142886 /nfs/dbraw/zinc/14/28/86/655142886.db2.gz RLTOJAHNVDLMGP-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP CC[N@@H+](CC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000273421954 655142887 /nfs/dbraw/zinc/14/28/87/655142887.db2.gz RLTOJAHNVDLMGP-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574274199 655427723 /nfs/dbraw/zinc/42/77/23/655427723.db2.gz NYBZOQMQCSMHHK-MJGOQNOKSA-N 2 2 392.341 2.798 20 0 GFADLP Brc1cc2c(s1)CC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576628276 655449963 /nfs/dbraw/zinc/44/99/63/655449963.db2.gz SVPKDPGLXPWRGC-LLVKDONJSA-N 2 2 382.331 2.873 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638871 655463497 /nfs/dbraw/zinc/46/34/97/655463497.db2.gz CVXUEZIOIQFFJG-AWEZNQCLSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638871 655463499 /nfs/dbraw/zinc/46/34/99/655463499.db2.gz CVXUEZIOIQFFJG-AWEZNQCLSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638871 655463500 /nfs/dbraw/zinc/46/35/00/655463500.db2.gz CVXUEZIOIQFFJG-AWEZNQCLSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638871 655463502 /nfs/dbraw/zinc/46/35/02/655463502.db2.gz CVXUEZIOIQFFJG-AWEZNQCLSA-N 2 2 377.476 2.831 20 0 GFADLP C[C@@H](SCC[NH+]1CCO[C@H](C)C1)[C@@H](C)SCC[N@@H+]1CCO[C@H](C)C1 ZINC000840208117 661146845 /nfs/dbraw/zinc/14/68/45/661146845.db2.gz WODLWADURLMMIY-BRSBDYLESA-N 2 2 376.632 2.671 20 0 GFADLP C[C@@H](SCC[NH+]1CCO[C@H](C)C1)[C@@H](C)SCC[N@H+]1CCO[C@H](C)C1 ZINC000840208117 661146847 /nfs/dbraw/zinc/14/68/47/661146847.db2.gz WODLWADURLMMIY-BRSBDYLESA-N 2 2 376.632 2.671 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722307 655600821 /nfs/dbraw/zinc/60/08/21/655600821.db2.gz ZGLUDMWMGYRWMN-HNNXBMFYSA-N 2 2 397.386 2.904 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722307 655600822 /nfs/dbraw/zinc/60/08/22/655600822.db2.gz ZGLUDMWMGYRWMN-HNNXBMFYSA-N 2 2 397.386 2.904 20 0 GFADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000841099778 661232935 /nfs/dbraw/zinc/23/29/35/661232935.db2.gz OUEDLDHWSSDBLG-RHSMWYFYSA-N 2 2 393.329 2.815 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000815166400 660115026 /nfs/dbraw/zinc/11/50/26/660115026.db2.gz IDZSRKSPXVCXPR-UHFFFAOYSA-N 2 2 387.958 2.812 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113290 661369019 /nfs/dbraw/zinc/36/90/19/661369019.db2.gz REPMXDGXLUGQAW-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113290 661369025 /nfs/dbraw/zinc/36/90/25/661369025.db2.gz REPMXDGXLUGQAW-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP C[NH+](C)C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214188 661885120 /nfs/dbraw/zinc/88/51/20/661885120.db2.gz XTTPJOGAZIKVDO-SWLSCSKDSA-N 2 2 376.444 2.687 20 0 GFADLP C[NH+](C)C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214188 661885121 /nfs/dbraw/zinc/88/51/21/661885121.db2.gz XTTPJOGAZIKVDO-SWLSCSKDSA-N 2 2 376.444 2.687 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)c1ccsc1 ZINC000870863670 662703777 /nfs/dbraw/zinc/70/37/77/662703777.db2.gz UJZNUSSXPCUFOQ-LSDHHAIUSA-N 2 2 382.327 2.930 20 0 GFADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Br ZINC000877528520 662878192 /nfs/dbraw/zinc/87/81/92/662878192.db2.gz CWFZSBLPGJUMET-ZDUSSCGKSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Br ZINC000877528520 662878194 /nfs/dbraw/zinc/87/81/94/662878194.db2.gz CWFZSBLPGJUMET-ZDUSSCGKSA-N 2 2 378.270 2.959 20 0 GFADLP C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324875 662893929 /nfs/dbraw/zinc/89/39/29/662893929.db2.gz PMJHKYMZDBSTFR-JVPBZIDWSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324875 662893931 /nfs/dbraw/zinc/89/39/31/662893931.db2.gz PMJHKYMZDBSTFR-JVPBZIDWSA-N 2 2 386.367 2.985 20 0 GFADLP O=S(=O)(CC[NH+]1CCC(CCF)CC1)CC[NH+]1CCC(CCF)CC1 ZINC000879209058 662920769 /nfs/dbraw/zinc/92/07/69/662920769.db2.gz JHOIWNUIJGQYMS-UHFFFAOYSA-N 2 2 380.545 2.544 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000884188284 663066795 /nfs/dbraw/zinc/06/67/95/663066795.db2.gz CSXWWYKWNIUTEO-HUUCEWRRSA-N 2 2 382.327 2.930 20 0 GFADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895435553 663513834 /nfs/dbraw/zinc/51/38/34/663513834.db2.gz IKZDYXFKQVTRCP-QGZVFWFLSA-N 2 2 396.329 2.750 20 0 GFADLP Brc1cnc2n1C[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000898725233 663661702 /nfs/dbraw/zinc/66/17/02/663661702.db2.gz RYOWQRLQZSCNQU-CQSZACIVSA-N 2 2 376.302 2.614 20 0 GFADLP Cc1ccc(F)c(Br)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674611 663719452 /nfs/dbraw/zinc/71/94/52/663719452.db2.gz KWIQUQOCDLWZTJ-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1ccc(F)c(Br)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674611 663719454 /nfs/dbraw/zinc/71/94/54/663719454.db2.gz KWIQUQOCDLWZTJ-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1cc(Br)ccc1C[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903910352 663810896 /nfs/dbraw/zinc/81/08/96/663810896.db2.gz LREOYYXUTAPENM-INIZCTEOSA-N 2 2 378.318 2.906 20 0 GFADLP Cc1cc(Br)ccc1C[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903910352 663810898 /nfs/dbraw/zinc/81/08/98/663810898.db2.gz LREOYYXUTAPENM-INIZCTEOSA-N 2 2 378.318 2.906 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078262 664666379 /nfs/dbraw/zinc/66/63/79/664666379.db2.gz GRPXVKLOBDBTRN-UKRRQHHQSA-N 2 2 377.476 2.824 20 0 GFADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(Br)n2)nc[nH+]1 ZINC000925368676 664671143 /nfs/dbraw/zinc/67/11/43/664671143.db2.gz DOCAHRYXBLMMBD-STQMWFEESA-N 2 2 391.317 2.995 20 0 GFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740029 720833262 /nfs/dbraw/zinc/83/32/62/720833262.db2.gz BOYGIKYPRYLGFE-QHAWAJNXSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740029 720833264 /nfs/dbraw/zinc/83/32/64/720833264.db2.gz BOYGIKYPRYLGFE-QHAWAJNXSA-N 2 2 378.524 2.930 20 0 GFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766186 721237042 /nfs/dbraw/zinc/23/70/42/721237042.db2.gz STTMIUYUKNIYBN-IRXDYDNUSA-N 2 2 376.508 2.743 20 0 GFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766186 721237044 /nfs/dbraw/zinc/23/70/44/721237044.db2.gz STTMIUYUKNIYBN-IRXDYDNUSA-N 2 2 376.508 2.743 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164900475 721508102 /nfs/dbraw/zinc/50/81/02/721508102.db2.gz REXGVWFTCCKXCC-QUCCMNQESA-N 2 2 397.498 2.866 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164900475 721508104 /nfs/dbraw/zinc/50/81/04/721508104.db2.gz REXGVWFTCCKXCC-QUCCMNQESA-N 2 2 397.498 2.866 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900539 721508196 /nfs/dbraw/zinc/50/81/96/721508196.db2.gz SAZUTEGSWFJLCG-HKUYNNGSSA-N 2 2 385.487 2.722 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900539 721508199 /nfs/dbraw/zinc/50/81/99/721508199.db2.gz SAZUTEGSWFJLCG-HKUYNNGSSA-N 2 2 385.487 2.722 20 0 GFADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983325 722147039 /nfs/dbraw/zinc/14/70/39/722147039.db2.gz UDKRMKKRCCUUIB-VQTJNVASSA-N 2 2 379.508 2.785 20 0 GFADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983325 722147042 /nfs/dbraw/zinc/14/70/42/722147042.db2.gz UDKRMKKRCCUUIB-VQTJNVASSA-N 2 2 379.508 2.785 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000045658415 551147424 /nfs/dbraw/zinc/14/74/24/551147424.db2.gz LAPHNGUHRXRWDN-QGZVFWFLSA-N 2 2 378.567 2.940 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCSCC1 ZINC000151848758 551422540 /nfs/dbraw/zinc/42/25/40/551422540.db2.gz CMBXVYBFBJPXLC-INIZCTEOSA-N 2 2 379.595 2.654 20 0 GFADLP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[NH+]1CCSCC1 ZINC000151848844 551422556 /nfs/dbraw/zinc/42/25/56/551422556.db2.gz CMBXVYBFBJPXLC-MRXNPFEDSA-N 2 2 379.595 2.654 20 0 GFADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000162562430 551609437 /nfs/dbraw/zinc/60/94/37/551609437.db2.gz VXBBTBRQRSKKBO-ZDUSSCGKSA-N 2 2 399.347 2.761 20 0 GFADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000162562430 551609438 /nfs/dbraw/zinc/60/94/38/551609438.db2.gz VXBBTBRQRSKKBO-ZDUSSCGKSA-N 2 2 399.347 2.761 20 0 GFADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277457 551618489 /nfs/dbraw/zinc/61/84/89/551618489.db2.gz IWFVFZAZTTZKOE-WMLDXEAASA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277457 551618491 /nfs/dbraw/zinc/61/84/91/551618491.db2.gz IWFVFZAZTTZKOE-WMLDXEAASA-N 2 2 398.345 2.867 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167616833 551633671 /nfs/dbraw/zinc/63/36/71/551633671.db2.gz VULWCCGIBVXDEO-WBVHZDCISA-N 2 2 380.330 2.654 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960297 551634729 /nfs/dbraw/zinc/63/47/29/551634729.db2.gz ONLNUECZDATGDP-GOSISDBHSA-N 2 2 386.367 2.960 20 0 GFADLP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342547 552103020 /nfs/dbraw/zinc/10/30/20/552103020.db2.gz FLRHPANWOPFYRY-SJORKVTESA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342547 552103022 /nfs/dbraw/zinc/10/30/22/552103022.db2.gz FLRHPANWOPFYRY-SJORKVTESA-N 2 2 381.611 2.998 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000177150776 552150607 /nfs/dbraw/zinc/15/06/07/552150607.db2.gz NBXPXKSTWNLTPM-UHFFFAOYSA-N 2 2 393.329 2.686 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CC[NH+](CC4CCOCC4)CC3)n2c1 ZINC000179624238 552198085 /nfs/dbraw/zinc/19/80/85/552198085.db2.gz JWILQKBRNCTVDO-UHFFFAOYSA-N 2 2 393.329 2.641 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038444 552243700 /nfs/dbraw/zinc/24/37/00/552243700.db2.gz SKALNTXNICUAJJ-UKRRQHHQSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033079 552243871 /nfs/dbraw/zinc/24/38/71/552243871.db2.gz QJTKCVKBQGSASP-HIFRSBDPSA-N 2 2 386.323 2.577 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275864 552251902 /nfs/dbraw/zinc/25/19/02/552251902.db2.gz RYAZPIJVOGQNLM-HUUCEWRRSA-N 2 2 376.302 2.951 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275864 552251903 /nfs/dbraw/zinc/25/19/03/552251903.db2.gz RYAZPIJVOGQNLM-HUUCEWRRSA-N 2 2 376.302 2.951 20 0 GFADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nc(C)cs1 ZINC000184340161 552332708 /nfs/dbraw/zinc/33/27/08/552332708.db2.gz JLSNWHXZPAZMFM-INIZCTEOSA-N 2 2 378.567 2.898 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000184935623 552348381 /nfs/dbraw/zinc/34/83/81/552348381.db2.gz XUCPJYALKFOCCW-MRXNPFEDSA-N 2 2 394.313 2.893 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000184935623 552348383 /nfs/dbraw/zinc/34/83/83/552348383.db2.gz XUCPJYALKFOCCW-MRXNPFEDSA-N 2 2 394.313 2.893 20 0 GFADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956556 552375062 /nfs/dbraw/zinc/37/50/62/552375062.db2.gz ZYEONXDHAKGUSK-NWDGAFQWSA-N 2 2 378.464 2.755 20 0 GFADLP Brc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(N2CCOCC2)c1 ZINC000188687016 552451913 /nfs/dbraw/zinc/45/19/13/552451913.db2.gz SNFXZMFEXGDHAZ-UHFFFAOYSA-N 2 2 379.302 2.662 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135529 /nfs/dbraw/zinc/13/55/29/553135529.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 2 392.341 2.971 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135531 /nfs/dbraw/zinc/13/55/31/553135531.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135532 /nfs/dbraw/zinc/13/55/32/553135532.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135534 /nfs/dbraw/zinc/13/55/34/553135534.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 2 392.341 2.971 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796068 553159907 /nfs/dbraw/zinc/15/99/07/553159907.db2.gz GOXGTVPYCUKEBU-GJZGRUSLSA-N 2 2 382.346 2.845 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796068 553159909 /nfs/dbraw/zinc/15/99/09/553159909.db2.gz GOXGTVPYCUKEBU-GJZGRUSLSA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418703828 563222966 /nfs/dbraw/zinc/22/29/66/563222966.db2.gz QXWUUIFNJGKZLN-CKEIUWERSA-N 2 2 397.361 2.963 20 0 GFADLP CN(C(=O)c1csc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829847 563257111 /nfs/dbraw/zinc/25/71/11/563257111.db2.gz JNEASALDHCCIQW-CQSZACIVSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1csc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829847 563257114 /nfs/dbraw/zinc/25/71/14/563257114.db2.gz JNEASALDHCCIQW-CQSZACIVSA-N 2 2 386.359 2.751 20 0 GFADLP Cc1cc(Br)oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836837 563257682 /nfs/dbraw/zinc/25/76/82/563257682.db2.gz BQZJWHWDMVFAPJ-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(Br)oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836837 563257684 /nfs/dbraw/zinc/25/76/84/563257684.db2.gz BQZJWHWDMVFAPJ-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374375 563262821 /nfs/dbraw/zinc/26/28/21/563262821.db2.gz NRFBPPAZFXSJHP-KSSFIOAISA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374375 563262824 /nfs/dbraw/zinc/26/28/24/563262824.db2.gz NRFBPPAZFXSJHP-KSSFIOAISA-N 2 2 380.330 2.702 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C3CC[NH+](C4CC4)CC3)[nH+]c12 ZINC000280066903 563320830 /nfs/dbraw/zinc/32/08/30/563320830.db2.gz BLHNGPKRXKUHLG-UHFFFAOYSA-N 2 2 391.313 2.896 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015087 563353374 /nfs/dbraw/zinc/35/33/74/563353374.db2.gz QJYNSXCRTMHBPR-YPMHNXCESA-N 2 2 381.826 2.879 20 0 GFADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207035 563358544 /nfs/dbraw/zinc/35/85/44/563358544.db2.gz GKPVUKBJPVCCMT-TZMCWYRMSA-N 2 2 378.318 2.988 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219075 563358683 /nfs/dbraw/zinc/35/86/83/563358683.db2.gz VUOHBQFTMYWLOZ-CABCVRRESA-N 2 2 396.276 2.549 20 0 GFADLP CCn1cc[nH+]c1[C@H](NCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423286342 563359668 /nfs/dbraw/zinc/35/96/68/563359668.db2.gz GQGLDFHFERFOAV-CQSZACIVSA-N 2 2 398.292 2.924 20 0 GFADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361362 563360687 /nfs/dbraw/zinc/36/06/87/563360687.db2.gz AFIBQRIIWBXUFC-MKBNYLNASA-N 2 2 378.318 2.987 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529431 563362224 /nfs/dbraw/zinc/36/22/24/563362224.db2.gz VMQBYMJHMIAVRN-ONGXEEELSA-N 2 2 378.108 2.851 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510872 563407766 /nfs/dbraw/zinc/40/77/66/563407766.db2.gz DXAKAYOMAFLMOV-CXAGYDPISA-N 2 2 378.567 2.629 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510872 563407768 /nfs/dbraw/zinc/40/77/68/563407768.db2.gz DXAKAYOMAFLMOV-CXAGYDPISA-N 2 2 378.567 2.629 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230963 563452166 /nfs/dbraw/zinc/45/21/66/563452166.db2.gz VBUMYXQRRCFRKJ-WMZOPIPTSA-N 2 2 394.357 2.872 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230963 563452168 /nfs/dbraw/zinc/45/21/68/563452168.db2.gz VBUMYXQRRCFRKJ-WMZOPIPTSA-N 2 2 394.357 2.872 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283900012 563458129 /nfs/dbraw/zinc/45/81/29/563458129.db2.gz JXBUAESXAHBBTP-MRXNPFEDSA-N 2 2 378.929 2.893 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000377342968 563471890 /nfs/dbraw/zinc/47/18/90/563471890.db2.gz CFTCCPDIHRJWNX-CQSZACIVSA-N 2 2 379.551 2.711 20 0 GFADLP Cc1ccc(Br)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378373996 563504163 /nfs/dbraw/zinc/50/41/63/563504163.db2.gz XFRAQJBJQRJZEM-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378373996 563504169 /nfs/dbraw/zinc/50/41/69/563504169.db2.gz XFRAQJBJQRJZEM-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954051 563550817 /nfs/dbraw/zinc/55/08/17/563550817.db2.gz DGKOCCUCTWYAOA-SECBINFHSA-N 2 2 380.208 2.687 20 0 GFADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954051 563550818 /nfs/dbraw/zinc/55/08/18/563550818.db2.gz DGKOCCUCTWYAOA-SECBINFHSA-N 2 2 380.208 2.687 20 0 GFADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@@H](C)O1 ZINC000432941144 563597539 /nfs/dbraw/zinc/59/75/39/563597539.db2.gz UHTKNFVWCPZQDB-ZIAGYGMSSA-N 2 2 385.350 2.504 20 0 GFADLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1cc[nH+]c1 ZINC000290017054 563695394 /nfs/dbraw/zinc/69/53/94/563695394.db2.gz UWMNTBSBKKCGGJ-CYBMUJFWSA-N 2 2 375.274 2.652 20 0 GFADLP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507303 563696167 /nfs/dbraw/zinc/69/61/67/563696167.db2.gz LULHOFUACDCAES-ROUUACIJSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507303 563696171 /nfs/dbraw/zinc/69/61/71/563696171.db2.gz LULHOFUACDCAES-ROUUACIJSA-N 2 2 379.595 2.752 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000291025066 563729959 /nfs/dbraw/zinc/72/99/59/563729959.db2.gz HSJGZPVQNJXOSR-ZDUSSCGKSA-N 2 2 384.318 2.912 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275440 563891409 /nfs/dbraw/zinc/89/14/09/563891409.db2.gz XPKFOVBZMNIOJY-CYBMUJFWSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275440 563891410 /nfs/dbraw/zinc/89/14/10/563891410.db2.gz XPKFOVBZMNIOJY-CYBMUJFWSA-N 2 2 386.323 2.657 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C[NH3+])C3CCCC3)[nH+]c12 ZINC000418022004 563895499 /nfs/dbraw/zinc/89/54/99/563895499.db2.gz QKUMTRVTQUUDKK-OAHLLOKOSA-N 2 2 394.317 2.722 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173959 563907904 /nfs/dbraw/zinc/90/79/04/563907904.db2.gz OPMOMWONBMEUFE-WWGRRREGSA-N 2 2 398.345 2.535 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449173959 563907905 /nfs/dbraw/zinc/90/79/05/563907905.db2.gz OPMOMWONBMEUFE-WWGRRREGSA-N 2 2 398.345 2.535 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392329 564185002 /nfs/dbraw/zinc/18/50/02/564185002.db2.gz JTAWOGXNBHEXPE-GOSISDBHSA-N 2 2 393.329 2.571 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392329 564185006 /nfs/dbraw/zinc/18/50/06/564185006.db2.gz JTAWOGXNBHEXPE-GOSISDBHSA-N 2 2 393.329 2.571 20 0 GFADLP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000563353812 564187522 /nfs/dbraw/zinc/18/75/22/564187522.db2.gz PNBZXWIBNSUUNM-UHFFFAOYSA-N 2 2 380.286 2.790 20 0 GFADLP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000563353812 564187525 /nfs/dbraw/zinc/18/75/25/564187525.db2.gz PNBZXWIBNSUUNM-UHFFFAOYSA-N 2 2 380.286 2.790 20 0 GFADLP C[N@@H+]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713485 564203037 /nfs/dbraw/zinc/20/30/37/564203037.db2.gz MUFDIGQOWFWQGP-CJNGLKHVSA-N 2 2 382.892 2.612 20 0 GFADLP C[N@H+]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713485 564203039 /nfs/dbraw/zinc/20/30/39/564203039.db2.gz MUFDIGQOWFWQGP-CJNGLKHVSA-N 2 2 382.892 2.612 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000564320771 564228485 /nfs/dbraw/zinc/22/84/85/564228485.db2.gz OSSLYSTVWYMDRY-IXDOHACOSA-N 2 2 393.329 2.652 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc(Cl)sc2Cl)CC1 ZINC000540011390 564237374 /nfs/dbraw/zinc/23/73/74/564237374.db2.gz ROHIBYMUIUGHBR-UHFFFAOYSA-N 2 2 379.357 2.880 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)Cc3ccco3)c[nH+]c12 ZINC000542312834 564309626 /nfs/dbraw/zinc/30/96/26/564309626.db2.gz GTKNTILFRJTYNR-CYBMUJFWSA-N 2 2 378.270 2.939 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000542771073 564325976 /nfs/dbraw/zinc/32/59/76/564325976.db2.gz XXSXGTJUXKWEMB-CYBMUJFWSA-N 2 2 394.317 2.546 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000542771073 564325980 /nfs/dbraw/zinc/32/59/80/564325980.db2.gz XXSXGTJUXKWEMB-CYBMUJFWSA-N 2 2 394.317 2.546 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673965 564338545 /nfs/dbraw/zinc/33/85/45/564338545.db2.gz JTEVDXYEKJYHNH-OZVIIMIRSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673965 564338549 /nfs/dbraw/zinc/33/85/49/564338549.db2.gz JTEVDXYEKJYHNH-OZVIIMIRSA-N 2 2 391.737 2.662 20 0 GFADLP CC1(C)CC[NH+](CCCCC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@]1=O ZINC000451751238 564347332 /nfs/dbraw/zinc/34/73/32/564347332.db2.gz ATUTXTGTHNGKHE-DQEYMECFSA-N 2 2 390.659 2.623 20 0 GFADLP CC1(C)CC[NH+](CCCCC[N@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@]1=O ZINC000451751238 564347335 /nfs/dbraw/zinc/34/73/35/564347335.db2.gz ATUTXTGTHNGKHE-DQEYMECFSA-N 2 2 390.659 2.623 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080104 564424910 /nfs/dbraw/zinc/42/49/10/564424910.db2.gz NOUJCEJDDPVROB-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080104 564424913 /nfs/dbraw/zinc/42/49/13/564424913.db2.gz NOUJCEJDDPVROB-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP COCC[NH+]1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000546226043 564450575 /nfs/dbraw/zinc/45/05/75/564450575.db2.gz WYMKSYFLMMJTDE-UHFFFAOYSA-N 3 2 395.345 2.648 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228115 564465280 /nfs/dbraw/zinc/46/52/80/564465280.db2.gz RLMMFOFDBGIMBO-FZMZJTMJSA-N 2 2 384.299 2.542 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272018 564466696 /nfs/dbraw/zinc/46/66/96/564466696.db2.gz BJJWYJDAOCFPLD-BLLLJJGKSA-N 2 2 399.354 2.742 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272018 564466700 /nfs/dbraw/zinc/46/67/00/564466700.db2.gz BJJWYJDAOCFPLD-BLLLJJGKSA-N 2 2 399.354 2.742 20 0 GFADLP C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCC[NH2+]1 ZINC000569684609 564474078 /nfs/dbraw/zinc/47/40/78/564474078.db2.gz MYMQAWUCGLZKNJ-RDJZCZTQSA-N 2 2 385.599 2.585 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920326 564528263 /nfs/dbraw/zinc/52/82/63/564528263.db2.gz UWMHDOCAZUDFJU-GVDBMIGSSA-N 2 2 385.961 2.916 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920326 564528267 /nfs/dbraw/zinc/52/82/67/564528267.db2.gz UWMHDOCAZUDFJU-GVDBMIGSSA-N 2 2 385.961 2.916 20 0 GFADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c[nH+]1 ZINC000576833110 564720997 /nfs/dbraw/zinc/72/09/97/564720997.db2.gz CYZVMURIAHZAOZ-QGZVFWFLSA-N 2 2 379.551 2.827 20 0 GFADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459388904 564742656 /nfs/dbraw/zinc/74/26/56/564742656.db2.gz MKOBIOVJRSWBRR-UHFFFAOYSA-N 2 2 391.313 2.591 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000580644781 564767889 /nfs/dbraw/zinc/76/78/89/564767889.db2.gz SUJNWISBHYLJDH-NJAFHUGGSA-N 2 2 392.341 2.796 20 0 GFADLP O=c1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccc(Br)cn12 ZINC000555288416 564788859 /nfs/dbraw/zinc/78/88/59/564788859.db2.gz ZWIRMMIXWRFYTC-UHFFFAOYSA-N 2 2 388.269 2.560 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)s1 ZINC000492227785 564800219 /nfs/dbraw/zinc/80/02/19/564800219.db2.gz SJTNJLWEGGHACE-AWEZNQCLSA-N 2 2 388.306 2.930 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680269 564836853 /nfs/dbraw/zinc/83/68/53/564836853.db2.gz MYDXNGITEWBAPS-KSSFIOAISA-N 2 2 394.357 2.870 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680269 564836857 /nfs/dbraw/zinc/83/68/57/564836857.db2.gz MYDXNGITEWBAPS-KSSFIOAISA-N 2 2 394.357 2.870 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309004 564840896 /nfs/dbraw/zinc/84/08/96/564840896.db2.gz HMGXCFOIISTREO-XJKSGUPXSA-N 2 2 389.297 2.777 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309004 564840902 /nfs/dbraw/zinc/84/09/02/564840902.db2.gz HMGXCFOIISTREO-XJKSGUPXSA-N 2 2 389.297 2.777 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574532 564852893 /nfs/dbraw/zinc/85/28/93/564852893.db2.gz GYOUPWOAADCJLR-DNVCBOLYSA-N 2 2 396.373 2.583 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000582574532 564852897 /nfs/dbraw/zinc/85/28/97/564852897.db2.gz GYOUPWOAADCJLR-DNVCBOLYSA-N 2 2 396.373 2.583 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574534 564853017 /nfs/dbraw/zinc/85/30/17/564853017.db2.gz GYOUPWOAADCJLR-HNAYVOBHSA-N 2 2 396.373 2.583 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000582574534 564853019 /nfs/dbraw/zinc/85/30/19/564853019.db2.gz GYOUPWOAADCJLR-HNAYVOBHSA-N 2 2 396.373 2.583 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@](C)(O)C(F)(F)F)[nH+]c12 ZINC000582602140 564854071 /nfs/dbraw/zinc/85/40/71/564854071.db2.gz KZSCFYXOYHNSQY-CYBMUJFWSA-N 2 2 380.208 2.851 20 0 GFADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000465706044 564931318 /nfs/dbraw/zinc/93/13/18/564931318.db2.gz VGHNRHOSLRIUAW-HNNXBMFYSA-N 2 2 394.317 2.723 20 0 GFADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310129 564960620 /nfs/dbraw/zinc/96/06/20/564960620.db2.gz IIPLVQGMLCRKCP-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310129 564960622 /nfs/dbraw/zinc/96/06/22/564960622.db2.gz IIPLVQGMLCRKCP-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310129 564960623 /nfs/dbraw/zinc/96/06/23/564960623.db2.gz IIPLVQGMLCRKCP-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310129 564960626 /nfs/dbraw/zinc/96/06/26/564960626.db2.gz IIPLVQGMLCRKCP-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000501418960 564978944 /nfs/dbraw/zinc/97/89/44/564978944.db2.gz HQPREULBMUSEDY-AWEZNQCLSA-N 2 2 394.357 2.796 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000501418960 564978948 /nfs/dbraw/zinc/97/89/48/564978948.db2.gz HQPREULBMUSEDY-AWEZNQCLSA-N 2 2 394.357 2.796 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@H](C[NH3+])C1 ZINC000562762603 565042201 /nfs/dbraw/zinc/04/22/01/565042201.db2.gz LEHDTYDEHBQPCA-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@H](C[NH3+])C1 ZINC000562762603 565042203 /nfs/dbraw/zinc/04/22/03/565042203.db2.gz LEHDTYDEHBQPCA-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657856124 565133714 /nfs/dbraw/zinc/13/37/14/565133714.db2.gz LJOLWAVSIRMVGX-QGZVFWFLSA-N 2 2 386.309 2.649 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586343 565202826 /nfs/dbraw/zinc/20/28/26/565202826.db2.gz QKTAYTCAQJWEIU-KGLIPLIRSA-N 2 2 386.359 2.771 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)c(F)cc1Br ZINC000638984781 565219734 /nfs/dbraw/zinc/21/97/34/565219734.db2.gz RGALQGQLJUIGBU-UHFFFAOYSA-N 2 2 397.223 2.784 20 0 GFADLP Cc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Br)c1 ZINC000638983737 565219831 /nfs/dbraw/zinc/21/98/31/565219831.db2.gz DKGBLUNVNSUJII-UHFFFAOYSA-N 2 2 375.270 2.814 20 0 GFADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766508 565258704 /nfs/dbraw/zinc/25/87/04/565258704.db2.gz NDRFLGMFSVXCLP-GFCCVEGCSA-N 2 2 376.364 2.614 20 0 GFADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766508 565258706 /nfs/dbraw/zinc/25/87/06/565258706.db2.gz NDRFLGMFSVXCLP-GFCCVEGCSA-N 2 2 376.364 2.614 20 0 GFADLP CO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534733 565281407 /nfs/dbraw/zinc/28/14/07/565281407.db2.gz HSJNDLUDIUTCPT-HOCLYGCPSA-N 2 2 398.301 2.792 20 0 GFADLP CO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534733 565281412 /nfs/dbraw/zinc/28/14/12/565281412.db2.gz HSJNDLUDIUTCPT-HOCLYGCPSA-N 2 2 398.301 2.792 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712119 565291144 /nfs/dbraw/zinc/29/11/44/565291144.db2.gz IYJACXJBIJXPFK-AWEZNQCLSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712119 565291146 /nfs/dbraw/zinc/29/11/46/565291146.db2.gz IYJACXJBIJXPFK-AWEZNQCLSA-N 2 2 385.339 2.961 20 0 GFADLP Cc1[nH+]ccn1CCCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641150162 565349228 /nfs/dbraw/zinc/34/92/28/565349228.db2.gz XPDZDISNSQUATO-MRXNPFEDSA-N 2 2 375.274 2.684 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3ccccc3Br)sc2C1 ZINC000662367583 565362659 /nfs/dbraw/zinc/36/26/59/565362659.db2.gz LHUNFUCKTKANSS-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3ccccc3Br)sc2C1 ZINC000662367583 565362665 /nfs/dbraw/zinc/36/26/65/565362665.db2.gz LHUNFUCKTKANSS-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662450871 565368322 /nfs/dbraw/zinc/36/83/22/565368322.db2.gz HPDWNUVDYUPEPU-KRWDZBQOSA-N 2 2 388.339 2.826 20 0 GFADLP [NH3+]C1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCC1 ZINC000662648718 565381251 /nfs/dbraw/zinc/38/12/51/565381251.db2.gz NAWPSTIVTXQFJE-INIZCTEOSA-N 2 2 380.330 2.974 20 0 GFADLP FC(F)(F)c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641787556 565399466 /nfs/dbraw/zinc/39/94/66/565399466.db2.gz VFRBUWXMCLAVNF-OAHLLOKOSA-N 2 2 377.476 2.653 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304403 565411676 /nfs/dbraw/zinc/41/16/76/565411676.db2.gz QBQWWGKACFTQON-SUMWQHHRSA-N 2 2 396.329 2.619 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304412 565411777 /nfs/dbraw/zinc/41/17/77/565411777.db2.gz QGBNIWBMXUFWQS-UKRRQHHQSA-N 2 2 396.329 2.619 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663438154 565421617 /nfs/dbraw/zinc/42/16/17/565421617.db2.gz FVBJIPCDSRJNIG-HNNXBMFYSA-N 2 2 398.370 2.740 20 0 GFADLP Cc1nc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(Br)c(C)[nH+]1 ZINC000663486939 565422646 /nfs/dbraw/zinc/42/26/46/565422646.db2.gz WLWKEPCMPRHKBI-OKILXGFUSA-N 2 2 396.377 2.851 20 0 GFADLP Cc1nc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(Br)c(C)[nH+]1 ZINC000663486939 565422651 /nfs/dbraw/zinc/42/26/51/565422651.db2.gz WLWKEPCMPRHKBI-OKILXGFUSA-N 2 2 396.377 2.851 20 0 GFADLP CC(C)(C)CNC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000625418788 565628532 /nfs/dbraw/zinc/62/85/32/565628532.db2.gz AJKSEYOCKVRTGH-UHFFFAOYSA-N 2 2 397.317 2.903 20 0 GFADLP CC(C)(C)CNC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000625418788 565628535 /nfs/dbraw/zinc/62/85/35/565628535.db2.gz AJKSEYOCKVRTGH-UHFFFAOYSA-N 2 2 397.317 2.903 20 0 GFADLP Cc1c(Br)csc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258623 565951128 /nfs/dbraw/zinc/95/11/28/565951128.db2.gz CKVANWLQGDEYGX-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1c(Br)csc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258623 565951133 /nfs/dbraw/zinc/95/11/33/565951133.db2.gz CKVANWLQGDEYGX-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP CCOc1ccc(Br)cc1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653086760 565953956 /nfs/dbraw/zinc/95/39/56/565953956.db2.gz ARDIPRDRCIDZAC-INIZCTEOSA-N 2 2 398.345 2.618 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000653094825 565955584 /nfs/dbraw/zinc/95/55/84/565955584.db2.gz RPSUIYDITNGJCS-MRXNPFEDSA-N 2 2 382.346 2.656 20 0 GFADLP FC(F)(F)[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](C(F)(F)F)C2)CCO1 ZINC000607153860 565979068 /nfs/dbraw/zinc/97/90/68/565979068.db2.gz BXWCYZFNHBKIAJ-CHWSQXEVSA-N 2 2 378.357 2.683 20 0 GFADLP FC(F)(F)[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](C(F)(F)F)C2)CCO1 ZINC000607153860 565979075 /nfs/dbraw/zinc/97/90/75/565979075.db2.gz BXWCYZFNHBKIAJ-CHWSQXEVSA-N 2 2 378.357 2.683 20 0 GFADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000656264745 566121010 /nfs/dbraw/zinc/12/10/10/566121010.db2.gz QSNMLTJYBXYQLK-INIZCTEOSA-N 2 2 396.329 2.539 20 0 GFADLP Cc1cc(Br)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000611977195 566146993 /nfs/dbraw/zinc/14/69/93/566146993.db2.gz IHKOIOAGBBCYSC-UHFFFAOYSA-N 2 2 382.346 2.822 20 0 GFADLP c1cc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cs1 ZINC000738435888 599263553 /nfs/dbraw/zinc/26/35/53/599263553.db2.gz DMZITLIJBVUILI-UHFFFAOYSA-N 2 2 377.477 2.799 20 0 GFADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735986054 598561288 /nfs/dbraw/zinc/56/12/88/598561288.db2.gz KNKCAJLQZZQEFW-INIZCTEOSA-N 2 2 380.496 2.876 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194591 607501927 /nfs/dbraw/zinc/50/19/27/607501927.db2.gz QHDSPVSJEKAYIS-FUHWJXTLSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194591 607501929 /nfs/dbraw/zinc/50/19/29/607501929.db2.gz QHDSPVSJEKAYIS-FUHWJXTLSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194591 607501931 /nfs/dbraw/zinc/50/19/31/607501931.db2.gz QHDSPVSJEKAYIS-FUHWJXTLSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194591 607501932 /nfs/dbraw/zinc/50/19/32/607501932.db2.gz QHDSPVSJEKAYIS-FUHWJXTLSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193023 607509159 /nfs/dbraw/zinc/50/91/59/607509159.db2.gz MPYQVOHWLAHBOV-LJQANCHMSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193023 607509161 /nfs/dbraw/zinc/50/91/61/607509161.db2.gz MPYQVOHWLAHBOV-LJQANCHMSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193023 607509163 /nfs/dbraw/zinc/50/91/63/607509163.db2.gz MPYQVOHWLAHBOV-LJQANCHMSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193023 607509165 /nfs/dbraw/zinc/50/91/65/607509165.db2.gz MPYQVOHWLAHBOV-LJQANCHMSA-N 2 2 392.507 2.829 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886392 607512666 /nfs/dbraw/zinc/51/26/66/607512666.db2.gz YDIDVDJOXMGNKF-QFBILLFUSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000824886392 607512667 /nfs/dbraw/zinc/51/26/67/607512667.db2.gz YDIDVDJOXMGNKF-QFBILLFUSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886392 607512668 /nfs/dbraw/zinc/51/26/68/607512668.db2.gz YDIDVDJOXMGNKF-QFBILLFUSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886392 607512669 /nfs/dbraw/zinc/51/26/69/607512669.db2.gz YDIDVDJOXMGNKF-QFBILLFUSA-N 2 2 377.496 2.747 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182921 607522688 /nfs/dbraw/zinc/52/26/88/607522688.db2.gz YGYMKTJUVOESBV-QGZVFWFLSA-N 2 2 384.528 2.819 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182921 607522689 /nfs/dbraw/zinc/52/26/89/607522689.db2.gz YGYMKTJUVOESBV-QGZVFWFLSA-N 2 2 384.528 2.819 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826167700 608366782 /nfs/dbraw/zinc/36/67/82/608366782.db2.gz NTSDSHGHQVNYJL-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826167700 608366784 /nfs/dbraw/zinc/36/67/84/608366784.db2.gz NTSDSHGHQVNYJL-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167700 608366786 /nfs/dbraw/zinc/36/67/86/608366786.db2.gz NTSDSHGHQVNYJL-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826167700 608366789 /nfs/dbraw/zinc/36/67/89/608366789.db2.gz NTSDSHGHQVNYJL-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627088 609323421 /nfs/dbraw/zinc/32/34/21/609323421.db2.gz UECXHBBJBBBSEC-HNNXBMFYSA-N 2 2 396.470 2.689 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658422 609347245 /nfs/dbraw/zinc/34/72/45/609347245.db2.gz XAOZOFDFMLMDDV-CZUORRHYSA-N 2 2 396.474 2.714 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785888 660208716 /nfs/dbraw/zinc/20/87/16/660208716.db2.gz OULXFZCWMVVOCV-QGZVFWFLSA-N 2 2 391.387 2.772 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785888 660208717 /nfs/dbraw/zinc/20/87/17/660208717.db2.gz OULXFZCWMVVOCV-QGZVFWFLSA-N 2 2 391.387 2.772 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000266165867 654860518 /nfs/dbraw/zinc/86/05/18/654860518.db2.gz UUYDJMOWRYOFGE-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000266165867 654860521 /nfs/dbraw/zinc/86/05/21/654860521.db2.gz UUYDJMOWRYOFGE-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(Br)c1 ZINC000266321228 654871786 /nfs/dbraw/zinc/87/17/86/654871786.db2.gz PYTVMEBUGOTGTR-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)c(Br)c1 ZINC000266321228 654871790 /nfs/dbraw/zinc/87/17/90/654871790.db2.gz PYTVMEBUGOTGTR-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131521616 654909350 /nfs/dbraw/zinc/90/93/50/654909350.db2.gz BNUTYPWSUNUFOK-SFHVURJKSA-N 2 2 395.345 2.654 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Br)cc1 ZINC000267193558 654916271 /nfs/dbraw/zinc/91/62/71/654916271.db2.gz ZQIVOLJHRIHYDL-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Br)cc1 ZINC000267193558 654916273 /nfs/dbraw/zinc/91/62/73/654916273.db2.gz ZQIVOLJHRIHYDL-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945641 654992415 /nfs/dbraw/zinc/99/24/15/654992415.db2.gz UFNQXEBZNXERQX-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945641 654992418 /nfs/dbraw/zinc/99/24/18/654992418.db2.gz UFNQXEBZNXERQX-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838680561 661053863 /nfs/dbraw/zinc/05/38/63/661053863.db2.gz JMCQBSGGUPKNPD-WBVHZDCISA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838680561 661053864 /nfs/dbraw/zinc/05/38/64/661053864.db2.gz JMCQBSGGUPKNPD-WBVHZDCISA-N 2 2 391.387 2.770 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000277063354 655301096 /nfs/dbraw/zinc/30/10/96/655301096.db2.gz IEAQRCCRLAWZSR-UHFFFAOYSA-N 2 2 379.913 2.897 20 0 GFADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581020 655462520 /nfs/dbraw/zinc/46/25/20/655462520.db2.gz UBMYRYHNHIGMMS-MRXNPFEDSA-N 2 2 393.329 2.763 20 0 GFADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581020 655462523 /nfs/dbraw/zinc/46/25/23/655462523.db2.gz UBMYRYHNHIGMMS-MRXNPFEDSA-N 2 2 393.329 2.763 20 0 GFADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581020 655462525 /nfs/dbraw/zinc/46/25/25/655462525.db2.gz UBMYRYHNHIGMMS-MRXNPFEDSA-N 2 2 393.329 2.763 20 0 GFADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581020 655462527 /nfs/dbraw/zinc/46/25/27/655462527.db2.gz UBMYRYHNHIGMMS-MRXNPFEDSA-N 2 2 393.329 2.763 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693167 655871551 /nfs/dbraw/zinc/87/15/51/655871551.db2.gz UAMUQXBEGOGFKJ-DLBZAZTESA-N 2 2 384.952 2.783 20 0 GFADLP C[N@H+]1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693167 655871552 /nfs/dbraw/zinc/87/15/52/655871552.db2.gz UAMUQXBEGOGFKJ-DLBZAZTESA-N 2 2 384.952 2.783 20 0 GFADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2I)CCCO1 ZINC000762483023 656043899 /nfs/dbraw/zinc/04/38/99/656043899.db2.gz VNIINERUMQKHFO-AWEZNQCLSA-N 2 2 388.293 2.882 20 0 GFADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2I)CCCO1 ZINC000762483023 656043904 /nfs/dbraw/zinc/04/39/04/656043904.db2.gz VNIINERUMQKHFO-AWEZNQCLSA-N 2 2 388.293 2.882 20 0 GFADLP C[NH+](C)CCNC(=S)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000765519717 656144694 /nfs/dbraw/zinc/14/46/94/656144694.db2.gz PTVDDXMGSPOPLM-UHFFFAOYSA-N 2 2 389.396 2.590 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166801 656163408 /nfs/dbraw/zinc/16/34/08/656163408.db2.gz UETOMYAMDVRFEK-DYEKYZERSA-N 2 2 376.469 2.825 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166801 656163410 /nfs/dbraw/zinc/16/34/10/656163410.db2.gz UETOMYAMDVRFEK-DYEKYZERSA-N 2 2 376.469 2.825 20 0 GFADLP C[NH+]1CCC(CNC(=S)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000785475579 657367040 /nfs/dbraw/zinc/36/70/40/657367040.db2.gz OUMICAFTHYHFRL-UHFFFAOYSA-N 2 2 380.989 2.504 20 0 GFADLP C[NH+]1CCC(CNC(=S)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000785475579 657367049 /nfs/dbraw/zinc/36/70/49/657367049.db2.gz OUMICAFTHYHFRL-UHFFFAOYSA-N 2 2 380.989 2.504 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113289 661368980 /nfs/dbraw/zinc/36/89/80/661368980.db2.gz REPMXDGXLUGQAW-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843113289 661368984 /nfs/dbraw/zinc/36/89/84/661368984.db2.gz REPMXDGXLUGQAW-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1O ZINC000848525101 661661403 /nfs/dbraw/zinc/66/14/03/661661403.db2.gz NLIQKAQFVWDGPQ-AWEZNQCLSA-N 2 2 385.302 2.506 20 0 GFADLP Cc1ccnc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000877527313 662878095 /nfs/dbraw/zinc/87/80/95/662878095.db2.gz YNWLNUIQCVSNFI-INIZCTEOSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1ccnc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000877527313 662878096 /nfs/dbraw/zinc/87/80/96/662878096.db2.gz YNWLNUIQCVSNFI-INIZCTEOSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc1Br ZINC000878311173 662893695 /nfs/dbraw/zinc/89/36/95/662893695.db2.gz CMJXQRJIVDGJRD-UHFFFAOYSA-N 2 2 375.380 2.672 20 0 GFADLP Cc1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc1Br ZINC000878311173 662893696 /nfs/dbraw/zinc/89/36/96/662893696.db2.gz CMJXQRJIVDGJRD-UHFFFAOYSA-N 2 2 375.380 2.672 20 0 GFADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(Br)no1 ZINC000880569919 662962550 /nfs/dbraw/zinc/96/25/50/662962550.db2.gz LKIZRCIVNBATGW-UONOGXRCSA-N 2 2 377.242 2.698 20 0 GFADLP Cc1ccc(F)c(Br)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674614 663719477 /nfs/dbraw/zinc/71/94/77/663719477.db2.gz KWIQUQOCDLWZTJ-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1ccc(F)c(Br)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674614 663719479 /nfs/dbraw/zinc/71/94/79/663719479.db2.gz KWIQUQOCDLWZTJ-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000903955112 663813611 /nfs/dbraw/zinc/81/36/11/663813611.db2.gz KXEWVCQQZSJRTE-ZDUSSCGKSA-N 2 2 385.256 2.969 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473442 663835759 /nfs/dbraw/zinc/83/57/59/663835759.db2.gz QVVHDWZBXFERHT-KSSFIOAISA-N 2 2 391.313 2.837 20 0 GFADLP C[NH+](C)C1CCN(c2ccc(NCc3nc(Br)c[nH]3)[nH+]c2)CC1 ZINC000921860315 664573732 /nfs/dbraw/zinc/57/37/32/664573732.db2.gz AJBSIPIZBZRKRJ-UHFFFAOYSA-N 2 2 379.306 2.710 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806358 720066874 /nfs/dbraw/zinc/06/68/74/720066874.db2.gz BRIFOEXWFWCWJT-DENIHFKCSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806358 720066879 /nfs/dbraw/zinc/06/68/79/720066879.db2.gz BRIFOEXWFWCWJT-DENIHFKCSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818710 720164510 /nfs/dbraw/zinc/16/45/10/720164510.db2.gz UGKSNNCBBFUUIC-UGKGYDQZSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818710 720164518 /nfs/dbraw/zinc/16/45/18/720164518.db2.gz UGKSNNCBBFUUIC-UGKGYDQZSA-N 2 2 385.556 2.652 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833251 720505464 /nfs/dbraw/zinc/50/54/64/720505464.db2.gz CGOIUGJEFGKELR-CEXWTWQISA-N 2 2 383.544 2.507 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833251 720505471 /nfs/dbraw/zinc/50/54/71/720505471.db2.gz CGOIUGJEFGKELR-CEXWTWQISA-N 2 2 383.544 2.507 20 0 GFADLP C[N@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757753 720980659 /nfs/dbraw/zinc/98/06/59/720980659.db2.gz QJENDHYTBMFJMZ-IBGZPJMESA-N 2 2 381.524 2.935 20 0 GFADLP C[N@@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757753 720980668 /nfs/dbraw/zinc/98/06/68/720980668.db2.gz QJENDHYTBMFJMZ-IBGZPJMESA-N 2 2 381.524 2.935 20 0 GFADLP C[N@H+](Cc1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1)C1CC1 ZINC001164870527 721220121 /nfs/dbraw/zinc/22/01/21/721220121.db2.gz GLFLZLUELSQYGC-UHFFFAOYSA-N 2 2 393.535 2.947 20 0 GFADLP C[N@@H+](Cc1ccc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1)C1CC1 ZINC001164870527 721220124 /nfs/dbraw/zinc/22/01/24/721220124.db2.gz GLFLZLUELSQYGC-UHFFFAOYSA-N 2 2 393.535 2.947 20 0 GFADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc5c([nH+]4)CCCC5)C3)O2)CC1 ZINC001164889479 721404222 /nfs/dbraw/zinc/40/42/22/721404222.db2.gz QXMYSWQOGZGXQD-REWPJTCUSA-N 2 2 384.568 2.726 20 0 GFADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CCC[C@]4(COc4ccccn4)C3)[nH+]2)CC1 ZINC001164794600 721506458 /nfs/dbraw/zinc/50/64/58/721506458.db2.gz ATLDECQLKWLFBH-AUSIDOKSSA-N 2 2 393.535 2.914 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977544 722120692 /nfs/dbraw/zinc/12/06/92/722120692.db2.gz NLXWIGTZPDMBIQ-RTBURBONSA-N 2 2 392.507 2.697 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977544 722120695 /nfs/dbraw/zinc/12/06/95/722120695.db2.gz NLXWIGTZPDMBIQ-RTBURBONSA-N 2 2 392.507 2.697 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152453084 551433217 /nfs/dbraw/zinc/43/32/17/551433217.db2.gz OVGCQXXJCJDJMT-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152453084 551433218 /nfs/dbraw/zinc/43/32/18/551433218.db2.gz OVGCQXXJCJDJMT-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152453084 551433220 /nfs/dbraw/zinc/43/32/20/551433220.db2.gz OVGCQXXJCJDJMT-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152453084 551433222 /nfs/dbraw/zinc/43/32/22/551433222.db2.gz OVGCQXXJCJDJMT-ZDUSSCGKSA-N 2 2 388.375 2.743 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155695263 551505733 /nfs/dbraw/zinc/50/57/33/551505733.db2.gz RMJIXCYSMVSNAY-CQSZACIVSA-N 2 2 383.233 2.991 20 0 GFADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000157920199 551544374 /nfs/dbraw/zinc/54/43/74/551544374.db2.gz YBBOUJQHLNXXIS-UHFFFAOYSA-N 2 2 382.306 2.578 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CC[NH+](C)CC1 ZINC000179200762 552186791 /nfs/dbraw/zinc/18/67/91/552186791.db2.gz DRLRQCTVJSASGF-QWHCGFSZSA-N 2 2 375.380 2.828 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194534575 553023132 /nfs/dbraw/zinc/02/31/32/553023132.db2.gz ASWAAIOWZFIEFN-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194534575 553023135 /nfs/dbraw/zinc/02/31/35/553023135.db2.gz ASWAAIOWZFIEFN-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194534575 553023138 /nfs/dbraw/zinc/02/31/38/553023138.db2.gz ASWAAIOWZFIEFN-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194534575 553023140 /nfs/dbraw/zinc/02/31/40/553023140.db2.gz ASWAAIOWZFIEFN-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247959152 553126684 /nfs/dbraw/zinc/12/66/84/553126684.db2.gz FZUAHYGXWUTSNK-SJLPKXTDSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247959152 553126687 /nfs/dbraw/zinc/12/66/87/553126687.db2.gz FZUAHYGXWUTSNK-SJLPKXTDSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247959152 553126691 /nfs/dbraw/zinc/12/66/91/553126691.db2.gz FZUAHYGXWUTSNK-SJLPKXTDSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247959152 553126693 /nfs/dbraw/zinc/12/66/93/553126693.db2.gz FZUAHYGXWUTSNK-SJLPKXTDSA-N 2 2 394.357 2.824 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135814 /nfs/dbraw/zinc/13/58/14/553135814.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 2 392.341 2.971 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135816 /nfs/dbraw/zinc/13/58/16/553135816.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135818 /nfs/dbraw/zinc/13/58/18/553135818.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135821 /nfs/dbraw/zinc/13/58/21/553135821.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 2 392.341 2.971 20 0 GFADLP CCS[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000261483495 553153504 /nfs/dbraw/zinc/15/35/04/553153504.db2.gz XXVMTTGHWWSDIC-GOSISDBHSA-N 2 2 381.611 3.000 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796077 553160040 /nfs/dbraw/zinc/16/00/40/553160040.db2.gz GOXGTVPYCUKEBU-LSDHHAIUSA-N 2 2 382.346 2.845 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796077 553160042 /nfs/dbraw/zinc/16/00/42/553160042.db2.gz GOXGTVPYCUKEBU-LSDHHAIUSA-N 2 2 382.346 2.845 20 0 GFADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261823871 553160713 /nfs/dbraw/zinc/16/07/13/553160713.db2.gz SWNLBFASJKQCGA-KRWDZBQOSA-N 2 2 379.302 2.792 20 0 GFADLP CN(C(=O)Cc1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370847285 563257570 /nfs/dbraw/zinc/25/75/70/563257570.db2.gz ZEAMQLPDXIRUBV-SFHVURJKSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1cccc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370847285 563257574 /nfs/dbraw/zinc/25/75/74/563257574.db2.gz ZEAMQLPDXIRUBV-SFHVURJKSA-N 2 2 394.357 2.619 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420376631 563262743 /nfs/dbraw/zinc/26/27/43/563262743.db2.gz VIMGVQJLJXAHOE-HNNXBMFYSA-N 2 2 388.375 2.966 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370295 563263063 /nfs/dbraw/zinc/26/30/63/563263063.db2.gz LGAFWKZDLKSCCU-HNAYVOBHSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370295 563263067 /nfs/dbraw/zinc/26/30/67/563263067.db2.gz LGAFWKZDLKSCCU-HNAYVOBHSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415701 563263879 /nfs/dbraw/zinc/26/38/79/563263879.db2.gz VCGIWYVRRNQLJX-TZMCWYRMSA-N 2 2 379.302 2.840 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415701 563263881 /nfs/dbraw/zinc/26/38/81/563263881.db2.gz VCGIWYVRRNQLJX-TZMCWYRMSA-N 2 2 379.302 2.840 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744413 563308935 /nfs/dbraw/zinc/30/89/35/563308935.db2.gz PIUYFHQIIWGVBO-BDVYOWHSSA-N 2 2 380.330 2.625 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744413 563308936 /nfs/dbraw/zinc/30/89/36/563308936.db2.gz PIUYFHQIIWGVBO-BDVYOWHSSA-N 2 2 380.330 2.625 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884409 563349695 /nfs/dbraw/zinc/34/96/95/563349695.db2.gz WULOCDPMHPMSDJ-MAUKXSAKSA-N 2 2 397.357 2.854 20 0 GFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246782 563359305 /nfs/dbraw/zinc/35/93/05/563359305.db2.gz PZOGBLNUOOEONI-SJORKVTESA-N 2 2 381.929 2.989 20 0 GFADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000284454324 563475651 /nfs/dbraw/zinc/47/56/51/563475651.db2.gz UNCACVCKIOOJDG-UHFFFAOYSA-N 2 2 399.329 2.826 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(I)c3)C2)CC1 ZINC000284472255 563476518 /nfs/dbraw/zinc/47/65/18/563476518.db2.gz VXDHJDUUARBILY-KRWDZBQOSA-N 2 2 399.320 2.503 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657075 563482480 /nfs/dbraw/zinc/48/24/80/563482480.db2.gz TUAOHSOGSCVKJZ-BEFAXECRSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657075 563482484 /nfs/dbraw/zinc/48/24/84/563482484.db2.gz TUAOHSOGSCVKJZ-BEFAXECRSA-N 2 2 396.373 2.916 20 0 GFADLP Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000378276700 563501197 /nfs/dbraw/zinc/50/11/97/563501197.db2.gz ZYEIZNJMWWKHJA-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000378276700 563501199 /nfs/dbraw/zinc/50/11/99/563501199.db2.gz ZYEIZNJMWWKHJA-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378358107 563503814 /nfs/dbraw/zinc/50/38/14/563503814.db2.gz YERDQOOZCYBHDJ-DYVFJYSZSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430584306 563546145 /nfs/dbraw/zinc/54/61/45/563546145.db2.gz OYKJBDQRIHCRHU-NSHDSACASA-N 2 2 389.281 2.535 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430584306 563546146 /nfs/dbraw/zinc/54/61/46/563546146.db2.gz OYKJBDQRIHCRHU-NSHDSACASA-N 2 2 389.281 2.535 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608619 563546701 /nfs/dbraw/zinc/54/67/01/563546701.db2.gz DYISBCFYQVRFQD-GDBMZVCRSA-N 2 2 382.346 2.727 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608619 563546706 /nfs/dbraw/zinc/54/67/06/563546706.db2.gz DYISBCFYQVRFQD-GDBMZVCRSA-N 2 2 382.346 2.727 20 0 GFADLP COc1cc(Br)c(OCC[N@@H+](C)[C@H](C)C[NH3+])cc1Br ZINC000430966250 563550948 /nfs/dbraw/zinc/55/09/48/563550948.db2.gz OIOWCAMFSXGWPX-SECBINFHSA-N 2 2 396.123 2.878 20 0 GFADLP COc1cc(Br)c(OCC[N@H+](C)[C@H](C)C[NH3+])cc1Br ZINC000430966250 563550946 /nfs/dbraw/zinc/55/09/46/563550946.db2.gz OIOWCAMFSXGWPX-SECBINFHSA-N 2 2 396.123 2.878 20 0 GFADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256624 563608227 /nfs/dbraw/zinc/60/82/27/563608227.db2.gz AYRCBVJPERLJSL-RDJZCZTQSA-N 2 2 380.330 2.971 20 0 GFADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256624 563608230 /nfs/dbraw/zinc/60/82/30/563608230.db2.gz AYRCBVJPERLJSL-RDJZCZTQSA-N 2 2 380.330 2.971 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333359407 563628620 /nfs/dbraw/zinc/62/86/20/563628620.db2.gz SOAZMPNUHYKKIA-CHWSQXEVSA-N 2 2 396.333 2.764 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)c[nH+]c12 ZINC000438281882 563703456 /nfs/dbraw/zinc/70/34/56/563703456.db2.gz LWJPYKSXZGIGND-AWEZNQCLSA-N 2 2 395.345 2.682 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)C[C@@H]3C)c[nH+]c12 ZINC000438281882 563703458 /nfs/dbraw/zinc/70/34/58/563703458.db2.gz LWJPYKSXZGIGND-AWEZNQCLSA-N 2 2 395.345 2.682 20 0 GFADLP COc1cc(Br)c(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000414328368 563727125 /nfs/dbraw/zinc/72/71/25/563727125.db2.gz NYKIRTXTZLRPIT-UHFFFAOYSA-N 2 2 383.290 2.556 20 0 GFADLP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616622 563729992 /nfs/dbraw/zinc/72/99/92/563729992.db2.gz SKPWFSFXLKAZQN-MSOLQXFVSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616622 563729996 /nfs/dbraw/zinc/72/99/96/563729996.db2.gz SKPWFSFXLKAZQN-MSOLQXFVSA-N 2 2 379.595 2.752 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414891956 563753334 /nfs/dbraw/zinc/75/33/34/563753334.db2.gz PAYBAAJQAAVSPD-OAHLLOKOSA-N 2 2 385.302 2.526 20 0 GFADLP C[C@H](C[NH3+])[NH2+]Cc1cc(I)c(Br)cc1F ZINC000414934147 563754233 /nfs/dbraw/zinc/75/42/33/563754233.db2.gz VAASNDWIMMOZDN-ZCFIWIBFSA-N 2 2 387.034 2.630 20 0 GFADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc(Br)c1OC(F)F ZINC000415048798 563757936 /nfs/dbraw/zinc/75/79/36/563757936.db2.gz XJLQDKSLBOJMGW-NSHDSACASA-N 2 2 395.244 2.527 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091889 563758941 /nfs/dbraw/zinc/75/89/41/563758941.db2.gz DIJCSMNCEWZAFT-ZYHUDNBSSA-N 2 2 379.810 2.654 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802536 563764505 /nfs/dbraw/zinc/76/45/05/563764505.db2.gz FOBBUQPGJGVWBT-ZFWWWQNUSA-N 2 2 388.375 2.568 20 0 GFADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443510676 563807390 /nfs/dbraw/zinc/80/73/90/563807390.db2.gz QQKLRSUJZDOJEF-CYBMUJFWSA-N 2 2 395.320 2.996 20 0 GFADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000443622310 563808597 /nfs/dbraw/zinc/80/85/97/563808597.db2.gz BITYOLPRWIZOOE-IUODEOHRSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000443622310 563808599 /nfs/dbraw/zinc/80/85/99/563808599.db2.gz BITYOLPRWIZOOE-IUODEOHRSA-N 2 2 394.317 2.578 20 0 GFADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](Cc2cccs2)CC1)N1CCOCC1 ZINC000367712393 563853027 /nfs/dbraw/zinc/85/30/27/563853027.db2.gz JMYYODDEFMCZGQ-MRXNPFEDSA-N 2 2 377.476 2.565 20 0 GFADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417228441 563874742 /nfs/dbraw/zinc/87/47/42/563874742.db2.gz WFEPFLINNCMESY-AWEZNQCLSA-N 2 2 382.306 2.612 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963288 563883134 /nfs/dbraw/zinc/88/31/34/563883134.db2.gz AKPRAAGGGVNKDR-NHYWBVRUSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963288 563883136 /nfs/dbraw/zinc/88/31/36/563883136.db2.gz AKPRAAGGGVNKDR-NHYWBVRUSA-N 2 2 379.555 2.655 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000369004392 563884306 /nfs/dbraw/zinc/88/43/06/563884306.db2.gz XIKRQXUCNXLTTJ-XUJLQICISA-N 2 2 382.492 2.596 20 0 GFADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000417976077 563893335 /nfs/dbraw/zinc/89/33/35/563893335.db2.gz WVIGVKMRAJMPFB-GFCCVEGCSA-N 2 2 392.256 2.631 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372751 564181738 /nfs/dbraw/zinc/18/17/38/564181738.db2.gz ADCVRVYDKXYOET-YJBOKZPZSA-N 2 2 390.325 2.721 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372751 564181740 /nfs/dbraw/zinc/18/17/40/564181740.db2.gz ADCVRVYDKXYOET-YJBOKZPZSA-N 2 2 390.325 2.721 20 0 GFADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305964 564185495 /nfs/dbraw/zinc/18/54/95/564185495.db2.gz HZPJHIHATQCBFQ-WQGACYEGSA-N 2 2 378.460 2.927 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449681212 564195874 /nfs/dbraw/zinc/19/58/74/564195874.db2.gz IMNHLRIRKFBWOL-WTANOLMUSA-N 2 2 381.358 2.981 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449681212 564195875 /nfs/dbraw/zinc/19/58/75/564195875.db2.gz IMNHLRIRKFBWOL-WTANOLMUSA-N 2 2 381.358 2.981 20 0 GFADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1Br ZINC000538717742 564198269 /nfs/dbraw/zinc/19/82/69/564198269.db2.gz WDPMHAGDUJQKBT-UHFFFAOYSA-N 2 2 390.329 2.936 20 0 GFADLP O=C(NCC1CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000563884457 564211877 /nfs/dbraw/zinc/21/18/77/564211877.db2.gz UXLRFIROGDBMET-QGZVFWFLSA-N 2 2 380.330 2.702 20 0 GFADLP COCC[NH2+]C1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000565061849 564264609 /nfs/dbraw/zinc/26/46/09/564264609.db2.gz NLMXPAZJKHFSRT-UHFFFAOYSA-N 2 2 381.318 2.606 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000565725862 564293296 /nfs/dbraw/zinc/29/32/96/564293296.db2.gz LZNVSPCIIIIPTP-UHFFFAOYSA-N 2 2 399.329 2.547 20 0 GFADLP NC(=O)[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000475432157 564308749 /nfs/dbraw/zinc/30/87/49/564308749.db2.gz XRYWMELLNFQBRP-KRWDZBQOSA-N 2 2 389.297 2.629 20 0 GFADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000566249703 564319245 /nfs/dbraw/zinc/31/92/45/564319245.db2.gz DRJDVDGSEBNZMC-SFHVURJKSA-N 2 2 391.313 2.814 20 0 GFADLP COc1c(N)[nH+]cnc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000566485095 564328291 /nfs/dbraw/zinc/32/82/91/564328291.db2.gz YGHFLJVABYXMQR-UHFFFAOYSA-N 2 2 392.301 2.906 20 0 GFADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698897 564360680 /nfs/dbraw/zinc/36/06/80/564360680.db2.gz DWOJDDBMEIDIJR-ZDUSSCGKSA-N 2 2 396.333 2.935 20 0 GFADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698897 564360682 /nfs/dbraw/zinc/36/06/82/564360682.db2.gz DWOJDDBMEIDIJR-ZDUSSCGKSA-N 2 2 396.333 2.935 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058399 564424330 /nfs/dbraw/zinc/42/43/30/564424330.db2.gz JLBVCYQSHVTXPN-OUAUKWLOSA-N 2 2 380.341 2.774 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058399 564424333 /nfs/dbraw/zinc/42/43/33/564424333.db2.gz JLBVCYQSHVTXPN-OUAUKWLOSA-N 2 2 380.341 2.774 20 0 GFADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364951 564437138 /nfs/dbraw/zinc/43/71/38/564437138.db2.gz SJYKHUUGMVSKEH-GHMZBOCLSA-N 2 2 380.341 2.633 20 0 GFADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364951 564437140 /nfs/dbraw/zinc/43/71/40/564437140.db2.gz SJYKHUUGMVSKEH-GHMZBOCLSA-N 2 2 380.341 2.633 20 0 GFADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943670 564441372 /nfs/dbraw/zinc/44/13/72/564441372.db2.gz FHEPXQJWFUSQDJ-ZFWWWQNUSA-N 2 2 382.917 2.500 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000515414560 564478293 /nfs/dbraw/zinc/47/82/93/564478293.db2.gz JMCYTIGGDHINOJ-IIDMSEBBSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cn1 ZINC000569875800 564481787 /nfs/dbraw/zinc/48/17/87/564481787.db2.gz DBYDFKOMHTYNCW-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@@H]1CC[N@H+](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000515669046 564484554 /nfs/dbraw/zinc/48/45/54/564484554.db2.gz USXBFVUSEDTATO-CQSZACIVSA-N 2 2 395.301 2.609 20 0 GFADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000515669046 564484557 /nfs/dbraw/zinc/48/45/57/564484557.db2.gz USXBFVUSEDTATO-CQSZACIVSA-N 2 2 395.301 2.609 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000516217586 564496883 /nfs/dbraw/zinc/49/68/83/564496883.db2.gz NISXZUNUBWNXEU-QWHCGFSZSA-N 2 2 386.309 2.791 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762717 564511572 /nfs/dbraw/zinc/51/15/72/564511572.db2.gz KZZJVDAGBLXMPM-NNYOOSKESA-N 2 2 397.357 2.755 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762717 564511576 /nfs/dbraw/zinc/51/15/76/564511576.db2.gz KZZJVDAGBLXMPM-NNYOOSKESA-N 2 2 397.357 2.755 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665782 564518592 /nfs/dbraw/zinc/51/85/92/564518592.db2.gz DJNPDPTZQCEIOI-AFAVFJNCSA-N 2 2 385.961 2.772 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665782 564518593 /nfs/dbraw/zinc/51/85/93/564518593.db2.gz DJNPDPTZQCEIOI-AFAVFJNCSA-N 2 2 385.961 2.772 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649469 564518860 /nfs/dbraw/zinc/51/88/60/564518860.db2.gz FIKUOCJMVBQUDM-JDFRZJQESA-N 2 2 385.961 2.914 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649469 564518863 /nfs/dbraw/zinc/51/88/63/564518863.db2.gz FIKUOCJMVBQUDM-JDFRZJQESA-N 2 2 385.961 2.914 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000481734375 564521580 /nfs/dbraw/zinc/52/15/80/564521580.db2.gz WFZPKCZBTQEQET-TVQRCGJNSA-N 2 2 394.684 2.993 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000481734375 564521582 /nfs/dbraw/zinc/52/15/82/564521582.db2.gz WFZPKCZBTQEQET-TVQRCGJNSA-N 2 2 394.684 2.993 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550595 564545286 /nfs/dbraw/zinc/54/52/86/564545286.db2.gz JNOWXLLDUFFLLP-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550595 564545287 /nfs/dbraw/zinc/54/52/87/564545287.db2.gz JNOWXLLDUFFLLP-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]1C[N@@H+](CCOC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548491141 564553831 /nfs/dbraw/zinc/55/38/31/564553831.db2.gz XMJPWUHOWDNBQF-GASCZTMLSA-N 2 2 398.345 2.939 20 0 GFADLP C[C@@H]1C[N@H+](CCOC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548491141 564553835 /nfs/dbraw/zinc/55/38/35/564553835.db2.gz XMJPWUHOWDNBQF-GASCZTMLSA-N 2 2 398.345 2.939 20 0 GFADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000572876529 564613880 /nfs/dbraw/zinc/61/38/80/564613880.db2.gz KJWDKKSBTJIVNY-AWEZNQCLSA-N 2 2 391.313 2.530 20 0 GFADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000521622823 564632560 /nfs/dbraw/zinc/63/25/60/564632560.db2.gz FGLYPDPNIKNDOV-AEFFLSMTSA-N 2 2 398.320 2.746 20 0 GFADLP C[C@H]([NH3+])CCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000573918606 564659539 /nfs/dbraw/zinc/65/95/39/564659539.db2.gz UUTKAACNSFJDGR-AWEZNQCLSA-N 2 2 379.302 2.802 20 0 GFADLP CN(C)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]cc1Br ZINC000579203636 564745452 /nfs/dbraw/zinc/74/54/52/564745452.db2.gz IAQXKRMDOMKPGP-YOGCLGLASA-N 2 2 382.306 2.657 20 0 GFADLP CN(C)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]cc1Br ZINC000579203636 564745455 /nfs/dbraw/zinc/74/54/55/564745455.db2.gz IAQXKRMDOMKPGP-YOGCLGLASA-N 2 2 382.306 2.657 20 0 GFADLP Cn1c[nH+]c(CC[NH2+]Cc2cc(Br)cc(Br)c2N)c1 ZINC000459669771 564756441 /nfs/dbraw/zinc/75/64/41/564756441.db2.gz UYDHVOJDLJRWSC-UHFFFAOYSA-N 2 2 388.107 2.860 20 0 GFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721712 564815805 /nfs/dbraw/zinc/81/58/05/564815805.db2.gz MFMSVWQSBBTIOR-STQMWFEESA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000581721712 564815810 /nfs/dbraw/zinc/81/58/10/564815810.db2.gz MFMSVWQSBBTIOR-STQMWFEESA-N 2 2 377.710 2.526 20 0 GFADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@@H](C)O1 ZINC000494985381 564844507 /nfs/dbraw/zinc/84/45/07/564844507.db2.gz JNCCKJLLOJZQJV-HUUCEWRRSA-N 2 2 399.377 2.894 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)ccc1Cl ZINC000495805409 564856567 /nfs/dbraw/zinc/85/65/67/564856567.db2.gz ZRTNQOUWLZQWTM-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)ccc1Cl ZINC000495805409 564856571 /nfs/dbraw/zinc/85/65/71/564856571.db2.gz ZRTNQOUWLZQWTM-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000584242155 564926827 /nfs/dbraw/zinc/92/68/27/564926827.db2.gz IWDWKBIUJVSXLX-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731281 564971248 /nfs/dbraw/zinc/97/12/48/564971248.db2.gz AWMPPRJRBFLSNT-NEPJUHHUSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731281 564971249 /nfs/dbraw/zinc/97/12/49/564971249.db2.gz AWMPPRJRBFLSNT-NEPJUHHUSA-N 2 2 378.464 2.755 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535312901 565010510 /nfs/dbraw/zinc/01/05/10/565010510.db2.gz GJCVHVDIMRDEFX-LLVKDONJSA-N 2 2 381.249 2.750 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535312901 565010511 /nfs/dbraw/zinc/01/05/11/565010511.db2.gz GJCVHVDIMRDEFX-LLVKDONJSA-N 2 2 381.249 2.750 20 0 GFADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000537862565 565063971 /nfs/dbraw/zinc/06/39/71/565063971.db2.gz HNYBWSFWHTVDHI-OAHLLOKOSA-N 2 2 398.370 2.692 20 0 GFADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000537862565 565063972 /nfs/dbraw/zinc/06/39/72/565063972.db2.gz HNYBWSFWHTVDHI-OAHLLOKOSA-N 2 2 398.370 2.692 20 0 GFADLP OC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485480 565103495 /nfs/dbraw/zinc/10/34/95/565103495.db2.gz LVLSGCYRWDVNFC-ZDUSSCGKSA-N 2 2 382.277 2.672 20 0 GFADLP Brc1cnc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122155 565184962 /nfs/dbraw/zinc/18/49/62/565184962.db2.gz LPXAHONQJNUJFX-AWEZNQCLSA-N 2 2 378.318 2.800 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122155 565184966 /nfs/dbraw/zinc/18/49/66/565184966.db2.gz LPXAHONQJNUJFX-AWEZNQCLSA-N 2 2 378.318 2.800 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595602 565204620 /nfs/dbraw/zinc/20/46/20/565204620.db2.gz IUVKZHNPZCDPJC-ZBFHGGJFSA-N 2 2 393.329 2.703 20 0 GFADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671126 565206738 /nfs/dbraw/zinc/20/67/38/565206738.db2.gz MBSRHLXJWVQLBY-WBMJQRKESA-N 2 2 385.580 2.630 20 0 GFADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671126 565206743 /nfs/dbraw/zinc/20/67/43/565206743.db2.gz MBSRHLXJWVQLBY-WBMJQRKESA-N 2 2 385.580 2.630 20 0 GFADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000639139101 565229275 /nfs/dbraw/zinc/22/92/75/565229275.db2.gz FSCWCNKRQQJUSR-OAHLLOKOSA-N 2 2 387.293 2.847 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591459041 565231333 /nfs/dbraw/zinc/23/13/33/565231333.db2.gz YKBNCPCYINEBNY-FUHWJXTLSA-N 2 2 394.357 2.996 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591459041 565231337 /nfs/dbraw/zinc/23/13/37/565231337.db2.gz YKBNCPCYINEBNY-FUHWJXTLSA-N 2 2 394.357 2.996 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000617764151 565256822 /nfs/dbraw/zinc/25/68/22/565256822.db2.gz KWODLRDMICHLKS-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(F)c1Br ZINC000617764151 565256826 /nfs/dbraw/zinc/25/68/26/565256826.db2.gz KWODLRDMICHLKS-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291136 565359228 /nfs/dbraw/zinc/35/92/28/565359228.db2.gz BKSBJAUCVILDBY-WBVHZDCISA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291135 565359437 /nfs/dbraw/zinc/35/94/37/565359437.db2.gz BKSBJAUCVILDBY-RDJZCZTQSA-N 2 2 380.330 2.687 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378139 565364912 /nfs/dbraw/zinc/36/49/12/565364912.db2.gz ZWEANGAJRNUWQC-SFHVURJKSA-N 2 2 388.309 2.623 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378139 565364915 /nfs/dbraw/zinc/36/49/15/565364915.db2.gz ZWEANGAJRNUWQC-SFHVURJKSA-N 2 2 388.309 2.623 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000643500596 565434482 /nfs/dbraw/zinc/43/44/82/565434482.db2.gz IJXKNMNYVIAYCJ-RLCAUIQDSA-N 2 2 385.327 2.540 20 0 GFADLP COc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2cc1Br ZINC000644872455 565500612 /nfs/dbraw/zinc/50/06/12/565500612.db2.gz CMHBRNSAIROIAN-DIFFPNOSSA-N 2 2 380.286 2.559 20 0 GFADLP COc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2cc1Br ZINC000644872455 565500613 /nfs/dbraw/zinc/50/06/13/565500613.db2.gz CMHBRNSAIROIAN-DIFFPNOSSA-N 2 2 380.286 2.559 20 0 GFADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623758631 565529059 /nfs/dbraw/zinc/52/90/59/565529059.db2.gz JIBQWXJARNGFMS-LLVKDONJSA-N 2 2 383.208 2.504 20 0 GFADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623758631 565529066 /nfs/dbraw/zinc/52/90/66/565529066.db2.gz JIBQWXJARNGFMS-LLVKDONJSA-N 2 2 383.208 2.504 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340214 565597633 /nfs/dbraw/zinc/59/76/33/565597633.db2.gz DASXGEAZDLHHDG-JLSDUUJJSA-N 2 2 392.341 2.796 20 0 GFADLP Brc1ccc(C[N@H+](CCOC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000625420774 565630307 /nfs/dbraw/zinc/63/03/07/565630307.db2.gz SCUAGYXKAXPDRS-UHFFFAOYSA-N 2 2 398.301 2.936 20 0 GFADLP Brc1ccc(C[N@@H+](CCOC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000625420774 565630312 /nfs/dbraw/zinc/63/03/12/565630312.db2.gz SCUAGYXKAXPDRS-UHFFFAOYSA-N 2 2 398.301 2.936 20 0 GFADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631045 /nfs/dbraw/zinc/63/10/45/565631045.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 2 378.314 2.730 20 0 GFADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631049 /nfs/dbraw/zinc/63/10/49/565631049.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631051 /nfs/dbraw/zinc/63/10/51/565631051.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631056 /nfs/dbraw/zinc/63/10/56/565631056.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 2 378.314 2.730 20 0 GFADLP Cc1c(Br)cncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000668166978 565631119 /nfs/dbraw/zinc/63/11/19/565631119.db2.gz OHNOXLUQURFLPC-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP Cc1c(Br)cncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000668166978 565631122 /nfs/dbraw/zinc/63/11/22/565631122.db2.gz OHNOXLUQURFLPC-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000668793901 565667462 /nfs/dbraw/zinc/66/74/62/565667462.db2.gz UDEIBBGYDMCFPE-UHFFFAOYSA-N 2 2 389.297 2.781 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977561 565685719 /nfs/dbraw/zinc/68/57/19/565685719.db2.gz DPMVPHUPACGOAJ-AHIWAGSCSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977561 565685726 /nfs/dbraw/zinc/68/57/26/565685726.db2.gz DPMVPHUPACGOAJ-AHIWAGSCSA-N 2 2 398.320 2.826 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]CC2([NH3+])CCOCC2)c1OC(F)F ZINC000629389578 565849075 /nfs/dbraw/zinc/84/90/75/565849075.db2.gz OEYVIFPVTPDZIX-UHFFFAOYSA-N 2 2 379.245 2.956 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560488 565859134 /nfs/dbraw/zinc/85/91/34/565859134.db2.gz FIJROPHXBDCVEA-DFBGVHRSSA-N 2 2 375.822 2.904 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560488 565859137 /nfs/dbraw/zinc/85/91/37/565859137.db2.gz FIJROPHXBDCVEA-DFBGVHRSSA-N 2 2 375.822 2.904 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592900 565861931 /nfs/dbraw/zinc/86/19/31/565861931.db2.gz GGQAALOADIJKRY-ZOCIIQOWSA-N 2 2 394.357 2.727 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592900 565861935 /nfs/dbraw/zinc/86/19/35/565861935.db2.gz GGQAALOADIJKRY-ZOCIIQOWSA-N 2 2 394.357 2.727 20 0 GFADLP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354536 565923269 /nfs/dbraw/zinc/92/32/69/565923269.db2.gz BOTOUCPRWMYCGV-CJNGLKHVSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354536 565923274 /nfs/dbraw/zinc/92/32/74/565923274.db2.gz BOTOUCPRWMYCGV-CJNGLKHVSA-N 2 2 389.359 2.672 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477247 565939738 /nfs/dbraw/zinc/93/97/38/565939738.db2.gz FYBLGRPTEYNIFP-JKSUJKDBSA-N 2 2 380.286 2.722 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477247 565939742 /nfs/dbraw/zinc/93/97/42/565939742.db2.gz FYBLGRPTEYNIFP-JKSUJKDBSA-N 2 2 380.286 2.722 20 0 GFADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000653086672 565954562 /nfs/dbraw/zinc/95/45/62/565954562.db2.gz ZFDUBZZZNTVQCL-KBPBESRZSA-N 2 2 386.359 2.723 20 0 GFADLP Brc1ccc(-c2nccc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000653644691 565974638 /nfs/dbraw/zinc/97/46/38/565974638.db2.gz HDJAXIOWNHAKCH-UHFFFAOYSA-N 2 2 399.296 2.951 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Br)cc1O ZINC000678930945 566025595 /nfs/dbraw/zinc/02/55/95/566025595.db2.gz WGOKVRYMUPTSMC-OAHLLOKOSA-N 2 2 399.329 2.896 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH+](C[C@@H]4CCCO4)CC3)c[nH+]c12 ZINC000680326069 566067183 /nfs/dbraw/zinc/06/71/83/566067183.db2.gz BILLBIWSHGSRCT-KRWDZBQOSA-N 2 2 393.329 2.702 20 0 GFADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815018 566101464 /nfs/dbraw/zinc/10/14/64/566101464.db2.gz IXKNGSDYQYDGEU-CVEARBPZSA-N 2 2 387.309 2.578 20 0 GFADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815018 566101470 /nfs/dbraw/zinc/10/14/70/566101470.db2.gz IXKNGSDYQYDGEU-CVEARBPZSA-N 2 2 387.309 2.578 20 0 GFADLP COc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1-c1nn[nH]n1 ZINC000821803178 599464092 /nfs/dbraw/zinc/46/40/92/599464092.db2.gz CZMDDVZOINDTBX-AWEZNQCLSA-N 2 2 375.436 2.912 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255129 606500506 /nfs/dbraw/zinc/50/05/06/606500506.db2.gz VIUYVICJQGMVRI-DOMZBBRYSA-N 2 2 380.443 2.630 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255129 606500508 /nfs/dbraw/zinc/50/05/08/606500508.db2.gz VIUYVICJQGMVRI-DOMZBBRYSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255129 606500510 /nfs/dbraw/zinc/50/05/10/606500510.db2.gz VIUYVICJQGMVRI-DOMZBBRYSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255129 606500512 /nfs/dbraw/zinc/50/05/12/606500512.db2.gz VIUYVICJQGMVRI-DOMZBBRYSA-N 2 2 380.443 2.630 20 0 GFADLP C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607169 607069567 /nfs/dbraw/zinc/06/95/67/607069567.db2.gz BXOADZLNGGCKOQ-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607169 607069569 /nfs/dbraw/zinc/06/95/69/607069569.db2.gz BXOADZLNGGCKOQ-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607169 607069571 /nfs/dbraw/zinc/06/95/71/607069571.db2.gz BXOADZLNGGCKOQ-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821607169 607069573 /nfs/dbraw/zinc/06/95/73/607069573.db2.gz BXOADZLNGGCKOQ-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP Cc1ccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)o1 ZINC000826287937 608655728 /nfs/dbraw/zinc/65/57/28/608655728.db2.gz KBHZAWJATRCVBA-UHFFFAOYSA-N 2 2 375.436 2.639 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034442 609364784 /nfs/dbraw/zinc/36/47/84/609364784.db2.gz QVEXUFNOODKXSR-GDBMZVCRSA-N 2 2 391.317 2.545 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034442 609364785 /nfs/dbraw/zinc/36/47/85/609364785.db2.gz QVEXUFNOODKXSR-GDBMZVCRSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034442 609364788 /nfs/dbraw/zinc/36/47/88/609364788.db2.gz QVEXUFNOODKXSR-GDBMZVCRSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034442 609364791 /nfs/dbraw/zinc/36/47/91/609364791.db2.gz QVEXUFNOODKXSR-GDBMZVCRSA-N 2 2 391.317 2.545 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980427 660212722 /nfs/dbraw/zinc/21/27/22/660212722.db2.gz ASXBRJKVABYGCO-SMDDNHRTSA-N 2 2 376.469 2.860 20 0 GFADLP C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000822797815 660354610 /nfs/dbraw/zinc/35/46/10/660354610.db2.gz LWBVTIQZYZUARQ-KYNGSXCRSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000822797815 660354612 /nfs/dbraw/zinc/35/46/12/660354612.db2.gz LWBVTIQZYZUARQ-KYNGSXCRSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021400 654839733 /nfs/dbraw/zinc/83/97/33/654839733.db2.gz JNOWXLLDUFFLLP-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021400 654839736 /nfs/dbraw/zinc/83/97/36/654839736.db2.gz JNOWXLLDUFFLLP-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996876 655038321 /nfs/dbraw/zinc/03/83/21/655038321.db2.gz DIRQIIYWOLHFMP-APHBMKBZSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996876 655038323 /nfs/dbraw/zinc/03/83/23/655038323.db2.gz DIRQIIYWOLHFMP-APHBMKBZSA-N 2 2 386.277 2.805 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164074045 655136664 /nfs/dbraw/zinc/13/66/64/655136664.db2.gz PEVUVECXFRTYRZ-KRWDZBQOSA-N 2 2 388.339 2.511 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164074045 655136667 /nfs/dbraw/zinc/13/66/67/655136667.db2.gz PEVUVECXFRTYRZ-KRWDZBQOSA-N 2 2 388.339 2.511 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000114455283 655224296 /nfs/dbraw/zinc/22/42/96/655224296.db2.gz PAPRODKXXUQSLR-UHFFFAOYSA-N 2 2 388.375 2.931 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000114455283 655224300 /nfs/dbraw/zinc/22/43/00/655224300.db2.gz PAPRODKXXUQSLR-UHFFFAOYSA-N 2 2 388.375 2.931 20 0 GFADLP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cc(F)c1O ZINC000184983312 655361469 /nfs/dbraw/zinc/36/14/69/655361469.db2.gz GTGUUNPOAIJFMR-LBPRGKRZSA-N 2 2 388.325 2.970 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579592451 655501904 /nfs/dbraw/zinc/50/19/04/655501904.db2.gz UKZFTAQOLSGHJV-GJZGRUSLSA-N 2 2 375.314 2.985 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000579592451 655501906 /nfs/dbraw/zinc/50/19/06/655501906.db2.gz UKZFTAQOLSGHJV-GJZGRUSLSA-N 2 2 375.314 2.985 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1Cc2cccc(Br)c2C1=O ZINC000795439860 658819406 /nfs/dbraw/zinc/81/94/06/658819406.db2.gz RZCLDPJNOAJUAF-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1Cc2cccc(Br)c2C1=O ZINC000795439860 658819407 /nfs/dbraw/zinc/81/94/07/658819407.db2.gz RZCLDPJNOAJUAF-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000796284509 658909976 /nfs/dbraw/zinc/90/99/76/658909976.db2.gz RIBRLFAMJVVLBH-CQSZACIVSA-N 2 2 375.416 2.927 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113288 661368905 /nfs/dbraw/zinc/36/89/05/661368905.db2.gz REPMXDGXLUGQAW-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113288 661368910 /nfs/dbraw/zinc/36/89/10/661368910.db2.gz REPMXDGXLUGQAW-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855417348 661991683 /nfs/dbraw/zinc/99/16/83/661991683.db2.gz YVZASFUBTLNBQW-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855417348 661991685 /nfs/dbraw/zinc/99/16/85/661991685.db2.gz YVZASFUBTLNBQW-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324868 662893847 /nfs/dbraw/zinc/89/38/47/662893847.db2.gz PMJHKYMZDBSTFR-CCKFTAQKSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324868 662893848 /nfs/dbraw/zinc/89/38/48/662893848.db2.gz PMJHKYMZDBSTFR-CCKFTAQKSA-N 2 2 386.367 2.985 20 0 GFADLP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528255 662898141 /nfs/dbraw/zinc/89/81/41/662898141.db2.gz MCBOXERZBPQYIV-AWEZNQCLSA-N 2 2 395.301 2.883 20 0 GFADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2Br)CCOCC1 ZINC000904379709 663832103 /nfs/dbraw/zinc/83/21/03/663832103.db2.gz CKLOTDBQEHIKTO-UHFFFAOYSA-N 2 2 378.108 2.809 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920309245 664524800 /nfs/dbraw/zinc/52/48/00/664524800.db2.gz RFBBJTQGRIFOMA-HNNXBMFYSA-N 2 2 380.989 2.987 20 0 GFADLP C[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921690255 664560767 /nfs/dbraw/zinc/56/07/67/664560767.db2.gz OQYVEZRSYWXKOK-LBPRGKRZSA-N 2 2 396.308 2.914 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743985 664876612 /nfs/dbraw/zinc/87/66/12/664876612.db2.gz RXTUQCYMFHMRES-URLQWDBASA-N 2 2 394.357 2.680 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743985 664876613 /nfs/dbraw/zinc/87/66/13/664876613.db2.gz RXTUQCYMFHMRES-URLQWDBASA-N 2 2 394.357 2.680 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743985 664876614 /nfs/dbraw/zinc/87/66/14/664876614.db2.gz RXTUQCYMFHMRES-URLQWDBASA-N 2 2 394.357 2.680 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743985 664876617 /nfs/dbraw/zinc/87/66/17/664876617.db2.gz RXTUQCYMFHMRES-URLQWDBASA-N 2 2 394.357 2.680 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744018 720851716 /nfs/dbraw/zinc/85/17/16/720851716.db2.gz BFOOYJRGMPKVDN-XUVXKRRUSA-N 2 2 393.539 2.633 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744018 720851718 /nfs/dbraw/zinc/85/17/18/720851718.db2.gz BFOOYJRGMPKVDN-XUVXKRRUSA-N 2 2 393.539 2.633 20 0 GFADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906971 721551717 /nfs/dbraw/zinc/55/17/17/721551717.db2.gz LLCCYTGWQPMLQO-UYAOXDASSA-N 2 2 397.498 2.948 20 0 GFADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164906971 721551719 /nfs/dbraw/zinc/55/17/19/721551719.db2.gz LLCCYTGWQPMLQO-UYAOXDASSA-N 2 2 397.498 2.948 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300282 551305089 /nfs/dbraw/zinc/30/50/89/551305089.db2.gz VFAKPWXXJNMKOH-GDBMZVCRSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123300282 551305090 /nfs/dbraw/zinc/30/50/90/551305090.db2.gz VFAKPWXXJNMKOH-GDBMZVCRSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300282 551305093 /nfs/dbraw/zinc/30/50/93/551305093.db2.gz VFAKPWXXJNMKOH-GDBMZVCRSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300282 551305096 /nfs/dbraw/zinc/30/50/96/551305096.db2.gz VFAKPWXXJNMKOH-GDBMZVCRSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129836387 551360109 /nfs/dbraw/zinc/36/01/09/551360109.db2.gz OSLUNCABSZUXJZ-OAUYIBNBSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129836387 551360111 /nfs/dbraw/zinc/36/01/11/551360111.db2.gz OSLUNCABSZUXJZ-OAUYIBNBSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129836387 551360113 /nfs/dbraw/zinc/36/01/13/551360113.db2.gz OSLUNCABSZUXJZ-OAUYIBNBSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ccnc3cc(Br)cnc32)CC1 ZINC000157859751 551544078 /nfs/dbraw/zinc/54/40/78/551544078.db2.gz RLIKNMSNIRZIRV-UHFFFAOYSA-N 2 2 378.318 2.830 20 0 GFADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426186 551619699 /nfs/dbraw/zinc/61/96/99/551619699.db2.gz OAJBGIKLOMYRBX-WMLDXEAASA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426186 551619701 /nfs/dbraw/zinc/61/97/01/551619701.db2.gz OAJBGIKLOMYRBX-WMLDXEAASA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968853 552207854 /nfs/dbraw/zinc/20/78/54/552207854.db2.gz ZBJUDVYGKPASOB-RHSMWYFYSA-N 2 2 379.551 2.883 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039159 552243732 /nfs/dbraw/zinc/24/37/32/552243732.db2.gz DFRVPAJUYCIHQL-KGLIPLIRSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[NH+]1CCOCC1 ZINC000183801798 552319697 /nfs/dbraw/zinc/31/96/97/552319697.db2.gz AJVNWDYRZVMXAH-CYBMUJFWSA-N 2 2 384.311 2.632 20 0 GFADLP C[N@H+](Cc1ccc(Br)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286897 552441360 /nfs/dbraw/zinc/44/13/60/552441360.db2.gz VVJMQGGGSWARMS-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[N@@H+](Cc1ccc(Br)cn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286897 552441361 /nfs/dbraw/zinc/44/13/61/552441361.db2.gz VVJMQGGGSWARMS-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1ccc(Br)cn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286897 552441362 /nfs/dbraw/zinc/44/13/62/552441362.db2.gz VVJMQGGGSWARMS-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1ccc(Br)cn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286897 552441364 /nfs/dbraw/zinc/44/13/64/552441364.db2.gz VVJMQGGGSWARMS-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCSC[C@@H](C)C3)n2)CC1 ZINC000190430125 552496103 /nfs/dbraw/zinc/49/61/03/552496103.db2.gz HYAUNFBLMFXHQS-HNNXBMFYSA-N 2 2 382.599 2.998 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCSC[C@@H](C)C3)n2)CC1 ZINC000190430125 552496106 /nfs/dbraw/zinc/49/61/06/552496106.db2.gz HYAUNFBLMFXHQS-HNNXBMFYSA-N 2 2 382.599 2.998 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762321 553134303 /nfs/dbraw/zinc/13/43/03/553134303.db2.gz GRXGDASURDDMNE-ZQIUZPCESA-N 2 2 380.330 2.935 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762321 553134305 /nfs/dbraw/zinc/13/43/05/553134305.db2.gz GRXGDASURDDMNE-ZQIUZPCESA-N 2 2 380.330 2.935 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000261954079 553163598 /nfs/dbraw/zinc/16/35/98/553163598.db2.gz OKFJUSHIGQFNKH-JTQLQIEISA-N 2 2 392.750 2.560 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000261954079 553163599 /nfs/dbraw/zinc/16/35/99/553163599.db2.gz OKFJUSHIGQFNKH-JTQLQIEISA-N 2 2 392.750 2.560 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855989 564253006 /nfs/dbraw/zinc/25/30/06/564253006.db2.gz JHOZEQCCFRYCCN-SCRDCRAPSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855989 564253011 /nfs/dbraw/zinc/25/30/11/564253011.db2.gz JHOZEQCCFRYCCN-SCRDCRAPSA-N 2 2 391.737 2.662 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1sccc1Br ZINC000294893040 563220962 /nfs/dbraw/zinc/22/09/62/563220962.db2.gz GEQQPFGLAMAQKR-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1sccc1Br ZINC000294893040 563220965 /nfs/dbraw/zinc/22/09/65/563220965.db2.gz GEQQPFGLAMAQKR-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728428 563223477 /nfs/dbraw/zinc/22/34/77/563223477.db2.gz ZNJDGZAGTXOKBE-MAUKXSAKSA-N 2 2 379.595 2.705 20 0 GFADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728428 563223478 /nfs/dbraw/zinc/22/34/78/563223478.db2.gz ZNJDGZAGTXOKBE-MAUKXSAKSA-N 2 2 379.595 2.705 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cc(O)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370697768 563252580 /nfs/dbraw/zinc/25/25/80/563252580.db2.gz MHKAHRGGHVYDRY-KSSFIOAISA-N 2 2 382.346 2.613 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370710619 563253333 /nfs/dbraw/zinc/25/33/33/563253333.db2.gz UKWTUKHLHZWHPF-KXBFYZLASA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370710619 563253336 /nfs/dbraw/zinc/25/33/36/563253336.db2.gz UKWTUKHLHZWHPF-KXBFYZLASA-N 2 2 396.373 2.916 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038541 563319511 /nfs/dbraw/zinc/31/95/11/563319511.db2.gz IRPCJMUBFJLVSN-ZJUUUORDSA-N 2 2 377.297 2.577 20 0 GFADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422697035 563348620 /nfs/dbraw/zinc/34/86/20/563348620.db2.gz TXVBELQXIBXDIE-DYVFJYSZSA-N 2 2 376.298 2.936 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895754 563350177 /nfs/dbraw/zinc/35/01/77/563350177.db2.gz GMSUMHWZDHJILP-VYDXJSESSA-N 2 2 382.346 2.632 20 0 GFADLP C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422907473 563350813 /nfs/dbraw/zinc/35/08/13/563350813.db2.gz LHOLEKLGMHEAKB-RHSMWYFYSA-N 2 2 382.346 2.918 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)ccc1F ZINC000375518415 563408287 /nfs/dbraw/zinc/40/82/87/563408287.db2.gz HHPLJZDIWQKPLE-NCAQKEMTSA-N 2 2 395.276 2.992 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ncc(I)s1)CCC2 ZINC000375786798 563418478 /nfs/dbraw/zinc/41/84/78/563418478.db2.gz FRYZCRWQLKECEU-SNVBAGLBSA-N 2 2 388.278 2.920 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000377632699 563481969 /nfs/dbraw/zinc/48/19/69/563481969.db2.gz WBLYFEJOKDPQEF-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000377632699 563481970 /nfs/dbraw/zinc/48/19/70/563481970.db2.gz WBLYFEJOKDPQEF-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366614 563504656 /nfs/dbraw/zinc/50/46/56/563504656.db2.gz BUPYWWPKEORSSE-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366614 563504657 /nfs/dbraw/zinc/50/46/57/563504657.db2.gz BUPYWWPKEORSSE-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[nH+]cc1Br ZINC000332039637 563572541 /nfs/dbraw/zinc/57/25/41/563572541.db2.gz KHQORABMMRLRGB-OLZOCXBDSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[nH+]cc1Br ZINC000332039637 563572542 /nfs/dbraw/zinc/57/25/42/563572542.db2.gz KHQORABMMRLRGB-OLZOCXBDSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669520 563590304 /nfs/dbraw/zinc/59/03/04/563590304.db2.gz LAZVTVLWXIRSCC-HNNXBMFYSA-N 2 2 376.551 2.812 20 0 GFADLP CN(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669520 563590307 /nfs/dbraw/zinc/59/03/07/563590307.db2.gz LAZVTVLWXIRSCC-HNNXBMFYSA-N 2 2 376.551 2.812 20 0 GFADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432835299 563594887 /nfs/dbraw/zinc/59/48/87/563594887.db2.gz HBISJALIQZVKPS-GASCZTMLSA-N 2 2 399.377 2.894 20 0 GFADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432835299 563594889 /nfs/dbraw/zinc/59/48/89/563594889.db2.gz HBISJALIQZVKPS-GASCZTMLSA-N 2 2 399.377 2.894 20 0 GFADLP [NH3+]CCCOC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000435387880 563648844 /nfs/dbraw/zinc/64/88/44/563648844.db2.gz BNPHJRKNNPYGHB-UHFFFAOYSA-N 2 2 384.311 2.904 20 0 GFADLP Cc1ccc(Br)c(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000413404495 563691497 /nfs/dbraw/zinc/69/14/97/563691497.db2.gz OQKASQPVYXVQFI-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCC(C)CC1 ZINC000361240153 563697543 /nfs/dbraw/zinc/69/75/43/563697543.db2.gz FCHKNISUTLOYKO-INIZCTEOSA-N 2 2 385.599 2.611 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CC[NH+]([C@@H]4CCSC4)CC3)n2c1 ZINC000362334683 563706338 /nfs/dbraw/zinc/70/63/38/563706338.db2.gz IHLBCTUBTUWJTI-CQSZACIVSA-N 2 2 381.343 2.720 20 0 GFADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000414254636 563723909 /nfs/dbraw/zinc/72/39/09/563723909.db2.gz ZQZBKCSORIMCJV-HNNXBMFYSA-N 2 2 399.969 2.976 20 0 GFADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000414254639 563724200 /nfs/dbraw/zinc/72/42/00/563724200.db2.gz ZQZBKCSORIMCJV-OAHLLOKOSA-N 2 2 399.969 2.976 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414303983 563725393 /nfs/dbraw/zinc/72/53/93/563725393.db2.gz CLXLNZJYAYLHDD-CQSZACIVSA-N 2 2 392.345 2.865 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944600 563737956 /nfs/dbraw/zinc/73/79/56/563737956.db2.gz HZCOSBCUSBHAOJ-CJNGLKHVSA-N 2 2 392.345 2.886 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944600 563737957 /nfs/dbraw/zinc/73/79/57/563737957.db2.gz HZCOSBCUSBHAOJ-CJNGLKHVSA-N 2 2 392.345 2.886 20 0 GFADLP CCOc1cc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc(Br)c1OC ZINC000414938250 563754679 /nfs/dbraw/zinc/75/46/79/563754679.db2.gz DYYWBYOXMDYFNC-KRWDZBQOSA-N 2 2 387.318 2.715 20 0 GFADLP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415048850 563757749 /nfs/dbraw/zinc/75/77/49/563757749.db2.gz XMFSAHUQXWLHNK-LLVKDONJSA-N 2 2 383.208 2.816 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137344 563760250 /nfs/dbraw/zinc/76/02/50/563760250.db2.gz IUWNCXOJNZCRGX-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415137344 563760252 /nfs/dbraw/zinc/76/02/52/563760252.db2.gz IUWNCXOJNZCRGX-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP Cc1nc(N2CC[NH+](CCOc3cc(F)cc(Br)c3)CC2)cc[nH+]1 ZINC000445794048 563854457 /nfs/dbraw/zinc/85/44/57/563854457.db2.gz HOCJKQHUYBCJSF-UHFFFAOYSA-N 2 2 395.276 2.888 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449598937 564191018 /nfs/dbraw/zinc/19/10/18/564191018.db2.gz JMXLZKCOBMUXIX-VNQPRFMTSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449598937 564191020 /nfs/dbraw/zinc/19/10/20/564191020.db2.gz JMXLZKCOBMUXIX-VNQPRFMTSA-N 2 2 397.357 2.824 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713490 564203122 /nfs/dbraw/zinc/20/31/22/564203122.db2.gz MUFDIGQOWFWQGP-XJKSGUPXSA-N 2 2 382.892 2.612 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713490 564203125 /nfs/dbraw/zinc/20/31/25/564203125.db2.gz MUFDIGQOWFWQGP-XJKSGUPXSA-N 2 2 382.892 2.612 20 0 GFADLP CSCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000506612926 564206604 /nfs/dbraw/zinc/20/66/04/564206604.db2.gz PDFKFEXCYHUHEJ-CQSZACIVSA-N 2 2 376.551 2.720 20 0 GFADLP CSCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000506612926 564206609 /nfs/dbraw/zinc/20/66/09/564206609.db2.gz PDFKFEXCYHUHEJ-CQSZACIVSA-N 2 2 376.551 2.720 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852582 564252289 /nfs/dbraw/zinc/25/22/89/564252289.db2.gz NGGSCQDPHNSLFL-GOEBONIOSA-N 2 2 394.313 2.861 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCSC1 ZINC000566111019 564310912 /nfs/dbraw/zinc/31/09/12/564310912.db2.gz WEMYAOKSKVGIMP-INIZCTEOSA-N 2 2 386.359 2.805 20 0 GFADLP CC(C)CNC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510871438 564348736 /nfs/dbraw/zinc/34/87/36/564348736.db2.gz FMAISTQUVLNZRU-UHFFFAOYSA-N 2 2 383.290 2.513 20 0 GFADLP CC(C)CNC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510871438 564348740 /nfs/dbraw/zinc/34/87/40/564348740.db2.gz FMAISTQUVLNZRU-UHFFFAOYSA-N 2 2 383.290 2.513 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683518 564383611 /nfs/dbraw/zinc/38/36/11/564383611.db2.gz PYZJHPWFQQSJJQ-GJZGRUSLSA-N 2 2 389.359 2.685 20 0 GFADLP Cc1cc(Br)cn2c(CNc3c[nH+]ccc3-n3ccnn3)c[nH+]c12 ZINC000567785241 564388379 /nfs/dbraw/zinc/38/83/79/564388379.db2.gz FZYVHXPAVCFIQY-UHFFFAOYSA-N 2 2 384.241 2.993 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)s1 ZINC000512399328 564400624 /nfs/dbraw/zinc/40/06/24/564400624.db2.gz IXRKEIPOGSTKHZ-UHFFFAOYSA-N 2 2 380.945 2.985 20 0 GFADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546113853 564445680 /nfs/dbraw/zinc/44/56/80/564445680.db2.gz FTDRNVXQPMRIGC-OAHLLOKOSA-N 2 2 379.302 2.896 20 0 GFADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546113853 564445685 /nfs/dbraw/zinc/44/56/85/564445685.db2.gz FTDRNVXQPMRIGC-OAHLLOKOSA-N 2 2 379.302 2.896 20 0 GFADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000515644694 564484608 /nfs/dbraw/zinc/48/46/08/564484608.db2.gz HBRNUPSZLSAUPK-STQMWFEESA-N 2 2 398.305 2.576 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649468 564518643 /nfs/dbraw/zinc/51/86/43/564518643.db2.gz FIKUOCJMVBQUDM-IFIJOSMWSA-N 2 2 385.961 2.914 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649468 564518646 /nfs/dbraw/zinc/51/86/46/564518646.db2.gz FIKUOCJMVBQUDM-IFIJOSMWSA-N 2 2 385.961 2.914 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]cc1Br ZINC000455861037 564575817 /nfs/dbraw/zinc/57/58/17/564575817.db2.gz FXVLXAXHZMKMKF-GFCCVEGCSA-N 2 2 384.322 2.716 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]cc1Br ZINC000455861037 564575820 /nfs/dbraw/zinc/57/58/20/564575820.db2.gz FXVLXAXHZMKMKF-GFCCVEGCSA-N 2 2 384.322 2.716 20 0 GFADLP CN(C)c1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)[nH+]cc1Br ZINC000455872675 564577984 /nfs/dbraw/zinc/57/79/84/564577984.db2.gz WMCUAPORMNBVLF-UHFFFAOYSA-N 2 2 384.322 2.906 20 0 GFADLP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000572431372 564594385 /nfs/dbraw/zinc/59/43/85/564594385.db2.gz NLNBBCOIHBRYJQ-UHFFFAOYSA-N 2 2 378.318 2.994 20 0 GFADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000574038713 564665624 /nfs/dbraw/zinc/66/56/24/564665624.db2.gz MGFIAPPIHFMVHH-COXVUDFISA-N 2 2 380.330 2.700 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000552691133 564698298 /nfs/dbraw/zinc/69/82/98/564698298.db2.gz GGXXGUNZBVDLRI-GOSISDBHSA-N 2 2 381.973 2.730 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000552691133 564698300 /nfs/dbraw/zinc/69/83/00/564698300.db2.gz GGXXGUNZBVDLRI-GOSISDBHSA-N 2 2 381.973 2.730 20 0 GFADLP COc1c(N)[nH+]cnc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000577293076 564732953 /nfs/dbraw/zinc/73/29/53/564732953.db2.gz LGZIGTBMYLOABC-UHFFFAOYSA-N 2 2 392.301 2.906 20 0 GFADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494999679 564845389 /nfs/dbraw/zinc/84/53/89/564845389.db2.gz VGARWHCHBHQHAE-KBPBESRZSA-N 2 2 385.350 2.504 20 0 GFADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000582557596 564852082 /nfs/dbraw/zinc/85/20/82/564852082.db2.gz NYFPCPZVIJGHPF-INIZCTEOSA-N 2 2 377.286 2.695 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000462792853 564859100 /nfs/dbraw/zinc/85/91/00/564859100.db2.gz SGVVPFFEVOQIST-UHFFFAOYSA-N 2 2 383.330 2.999 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043798 564918011 /nfs/dbraw/zinc/91/80/11/564918011.db2.gz QRWTZWMPQXGYSP-PBHICJAKSA-N 2 2 386.323 2.707 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043798 564918014 /nfs/dbraw/zinc/91/80/14/564918014.db2.gz QRWTZWMPQXGYSP-PBHICJAKSA-N 2 2 386.323 2.707 20 0 GFADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1Br ZINC000500089010 564945279 /nfs/dbraw/zinc/94/52/79/564945279.db2.gz LZUDVJJDYVZDJW-UHFFFAOYSA-N 2 2 390.329 2.936 20 0 GFADLP C[C@@H]1C[NH+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@@H](C)O1 ZINC000561897519 565012092 /nfs/dbraw/zinc/01/20/92/565012092.db2.gz ZNRAKELFRBSZEQ-HUUCEWRRSA-N 2 2 398.345 2.867 20 0 GFADLP Brc1ccsc1C[N@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC000561918557 565013007 /nfs/dbraw/zinc/01/30/07/565013007.db2.gz NQSRKPBXEXRASU-UHFFFAOYSA-N 2 2 399.358 2.542 20 0 GFADLP Brc1ccsc1C[N@@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC000561918557 565013012 /nfs/dbraw/zinc/01/30/12/565013012.db2.gz NQSRKPBXEXRASU-UHFFFAOYSA-N 2 2 399.358 2.542 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150077 565057367 /nfs/dbraw/zinc/05/73/67/565057367.db2.gz YRZQKYJLMAAJOS-INIZCTEOSA-N 2 2 386.359 2.545 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150077 565057370 /nfs/dbraw/zinc/05/73/70/565057370.db2.gz YRZQKYJLMAAJOS-INIZCTEOSA-N 2 2 386.359 2.545 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000563155234 565057639 /nfs/dbraw/zinc/05/76/39/565057639.db2.gz PRQBLDNMQATSBL-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000563155234 565057640 /nfs/dbraw/zinc/05/76/40/565057640.db2.gz PRQBLDNMQATSBL-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000657485114 565102518 /nfs/dbraw/zinc/10/25/18/565102518.db2.gz WZQXWACCVTYOQC-HNNXBMFYSA-N 2 2 378.314 2.841 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838928 565126007 /nfs/dbraw/zinc/12/60/07/565126007.db2.gz QPHFISFZGRYSDW-ZACQAIPSSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838928 565126012 /nfs/dbraw/zinc/12/60/12/565126012.db2.gz QPHFISFZGRYSDW-ZACQAIPSSA-N 2 2 393.329 2.780 20 0 GFADLP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000637211521 565144737 /nfs/dbraw/zinc/14/47/37/565144737.db2.gz NVMAGCMJLBBHFU-INIZCTEOSA-N 2 2 384.311 2.872 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595600 565204550 /nfs/dbraw/zinc/20/45/50/565204550.db2.gz IUVKZHNPZCDPJC-GOEBONIOSA-N 2 2 393.329 2.703 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H]([NH3+])C(C)C)[nH+]c12 ZINC000659482900 565218185 /nfs/dbraw/zinc/21/81/85/565218185.db2.gz VSCMYOPYNCOGBM-CQSZACIVSA-N 2 2 382.306 2.578 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C1=O ZINC000638981266 565219627 /nfs/dbraw/zinc/21/96/27/565219627.db2.gz QHGVEGBDOLNNSD-AWEZNQCLSA-N 2 2 382.295 2.590 20 0 GFADLP Cc1ccc(F)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1Br ZINC000638985535 565220213 /nfs/dbraw/zinc/22/02/13/565220213.db2.gz KJHPMRNRRJIDKX-UHFFFAOYSA-N 2 2 393.260 2.954 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591275643 565220828 /nfs/dbraw/zinc/22/08/28/565220828.db2.gz OAKDZEMOCZPYQH-HNNXBMFYSA-N 2 2 399.329 2.931 20 0 GFADLP Ic1cccc(OCCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448516 565231094 /nfs/dbraw/zinc/23/10/94/565231094.db2.gz JVLMRLVRZNFUEH-CJNGLKHVSA-N 2 2 386.277 2.744 20 0 GFADLP Ic1cccc(OCCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448516 565231098 /nfs/dbraw/zinc/23/10/98/565231098.db2.gz JVLMRLVRZNFUEH-CJNGLKHVSA-N 2 2 386.277 2.744 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660115989 565254966 /nfs/dbraw/zinc/25/49/66/565254966.db2.gz FXFUITCQZWINQA-ARFHVFGLSA-N 2 2 384.318 2.536 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660115989 565254968 /nfs/dbraw/zinc/25/49/68/565254968.db2.gz FXFUITCQZWINQA-ARFHVFGLSA-N 2 2 384.318 2.536 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000617763566 565256455 /nfs/dbraw/zinc/25/64/55/565256455.db2.gz VCSIGKDPMUYFSZ-UHFFFAOYSA-N 2 2 396.373 2.772 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Cc2ccccc2Br)CC1 ZINC000617763566 565256459 /nfs/dbraw/zinc/25/64/59/565256459.db2.gz VCSIGKDPMUYFSZ-UHFFFAOYSA-N 2 2 396.373 2.772 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617767778 565258753 /nfs/dbraw/zinc/25/87/53/565258753.db2.gz CEAXABAROHUXHW-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617767778 565258755 /nfs/dbraw/zinc/25/87/55/565258755.db2.gz CEAXABAROHUXHW-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1=CCSC1 ZINC000662268095 565357520 /nfs/dbraw/zinc/35/75/20/565357520.db2.gz OVLLNAQDVSZNOY-UHFFFAOYSA-N 2 2 377.579 2.779 20 0 GFADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1=CCSC1 ZINC000662268095 565357525 /nfs/dbraw/zinc/35/75/25/565357525.db2.gz OVLLNAQDVSZNOY-UHFFFAOYSA-N 2 2 377.579 2.779 20 0 GFADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000594607228 565403214 /nfs/dbraw/zinc/40/32/14/565403214.db2.gz QSJTYKXQLMHPMN-INIZCTEOSA-N 2 2 397.313 2.579 20 0 GFADLP Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635825 565486728 /nfs/dbraw/zinc/48/67/28/565486728.db2.gz CQQTWAWNSLXBJD-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1sc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635825 565486729 /nfs/dbraw/zinc/48/67/29/565486729.db2.gz CQQTWAWNSLXBJD-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Br)ccc1F ZINC000666046957 565520851 /nfs/dbraw/zinc/52/08/51/565520851.db2.gz HVROSAITDORZLN-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Br)ccc1F ZINC000666046957 565520856 /nfs/dbraw/zinc/52/08/56/565520856.db2.gz HVROSAITDORZLN-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630960 /nfs/dbraw/zinc/63/09/60/565630960.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 2 378.314 2.730 20 0 GFADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630951 /nfs/dbraw/zinc/63/09/51/565630951.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 2 378.314 2.730 20 0 GFADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630953 /nfs/dbraw/zinc/63/09/53/565630953.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630957 /nfs/dbraw/zinc/63/09/57/565630957.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 2 378.314 2.730 20 0 GFADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646985660 565631215 /nfs/dbraw/zinc/63/12/15/565631215.db2.gz FQDLGZPQHZTMHF-DLBZAZTESA-N 2 2 380.330 2.844 20 0 GFADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646996896 565631322 /nfs/dbraw/zinc/63/13/22/565631322.db2.gz CBTOFIULNNHHSZ-IKGGRYGDSA-N 2 2 380.330 2.972 20 0 GFADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000647836019 565679237 /nfs/dbraw/zinc/67/92/37/565679237.db2.gz YUNBEBMCBSPYJO-UHFFFAOYSA-N 2 2 395.370 2.910 20 0 GFADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000647836019 565679240 /nfs/dbraw/zinc/67/92/40/565679240.db2.gz YUNBEBMCBSPYJO-UHFFFAOYSA-N 2 2 395.370 2.910 20 0 GFADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604192 565863793 /nfs/dbraw/zinc/86/37/93/565863793.db2.gz STKRNJOBMQPIJB-IRXDYDNUSA-N 2 2 383.330 2.795 20 0 GFADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604192 565863799 /nfs/dbraw/zinc/86/37/99/565863799.db2.gz STKRNJOBMQPIJB-IRXDYDNUSA-N 2 2 383.330 2.795 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC3CC[NH2+]CC3)[nH+]c12 ZINC000652178775 565918806 /nfs/dbraw/zinc/91/88/06/565918806.db2.gz XHQPGMADIGRQQY-UHFFFAOYSA-N 2 2 394.317 2.594 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000653166005 565957238 /nfs/dbraw/zinc/95/72/38/565957238.db2.gz QDYLJQURWPICFT-DLBZAZTESA-N 2 2 382.346 2.652 20 0 GFADLP [NH3+]CC1(CCNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000653221232 565959628 /nfs/dbraw/zinc/95/96/28/565959628.db2.gz OJAVINJMAWMZQW-INIZCTEOSA-N 2 2 380.330 2.831 20 0 GFADLP [NH3+]CC1(CCNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000653221233 565959712 /nfs/dbraw/zinc/95/97/12/565959712.db2.gz OJAVINJMAWMZQW-MRXNPFEDSA-N 2 2 380.330 2.831 20 0 GFADLP O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338933 566037625 /nfs/dbraw/zinc/03/76/25/566037625.db2.gz KJGLPMKTLMCOPY-KZNAEPCWSA-N 2 2 383.330 2.716 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1OC ZINC000655724831 566084248 /nfs/dbraw/zinc/08/42/48/566084248.db2.gz HRTXFWMBSBFMCF-HNNXBMFYSA-N 2 2 399.329 2.809 20 0 GFADLP C[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736027169 599269268 /nfs/dbraw/zinc/26/92/68/599269268.db2.gz YVZCJZVPAHEYCQ-ZDUSSCGKSA-N 2 2 391.504 2.757 20 0 GFADLP C[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000736027169 599269270 /nfs/dbraw/zinc/26/92/70/599269270.db2.gz YVZCJZVPAHEYCQ-ZDUSSCGKSA-N 2 2 391.504 2.757 20 0 GFADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000825856374 608559846 /nfs/dbraw/zinc/55/98/46/608559846.db2.gz UIIXBYIMLXSCGB-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824600393 609441454 /nfs/dbraw/zinc/44/14/54/609441454.db2.gz ZSQRCEHFVTZEDA-OAHLLOKOSA-N 2 2 375.436 2.782 20 0 GFADLP CN(C(=O)[C@@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124519508 654777085 /nfs/dbraw/zinc/77/70/85/654777085.db2.gz JUYZYQHUAGLDNN-SQNIBIBYSA-N 2 2 385.643 2.631 20 0 GFADLP CN(C(=O)[C@@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124519508 654777089 /nfs/dbraw/zinc/77/70/89/654777089.db2.gz JUYZYQHUAGLDNN-SQNIBIBYSA-N 2 2 385.643 2.631 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cccc1Br ZINC000267268578 654921193 /nfs/dbraw/zinc/92/11/93/654921193.db2.gz QLZCUPGDHIHFCN-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cccc1Br ZINC000267268578 654921195 /nfs/dbraw/zinc/92/11/95/654921195.db2.gz QLZCUPGDHIHFCN-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243970 655167348 /nfs/dbraw/zinc/16/73/48/655167348.db2.gz JLIXKVPHWWUJPI-MRXNPFEDSA-N 2 2 380.286 2.722 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000174301554 655198199 /nfs/dbraw/zinc/19/81/99/655198199.db2.gz WTBIJLQUVWJJAX-CQSZACIVSA-N 2 2 398.345 2.785 20 0 GFADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000566067320 655424687 /nfs/dbraw/zinc/42/46/87/655424687.db2.gz VGFDSTVPLHMXCS-ZIAGYGMSSA-N 2 2 379.302 2.658 20 0 GFADLP Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000238127773 655427029 /nfs/dbraw/zinc/42/70/29/655427029.db2.gz FZKLMDKAQURUNN-GOSISDBHSA-N 2 2 391.309 2.664 20 0 GFADLP Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000238127773 655427031 /nfs/dbraw/zinc/42/70/31/655427031.db2.gz FZKLMDKAQURUNN-GOSISDBHSA-N 2 2 391.309 2.664 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000731452994 655583631 /nfs/dbraw/zinc/58/36/31/655583631.db2.gz BJNQPHAVIUJFLZ-UHFFFAOYSA-N 2 2 375.485 2.768 20 0 GFADLP C[N@@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693172 655871507 /nfs/dbraw/zinc/87/15/07/655871507.db2.gz UAMUQXBEGOGFKJ-SJORKVTESA-N 2 2 384.952 2.783 20 0 GFADLP C[N@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693172 655871508 /nfs/dbraw/zinc/87/15/08/655871508.db2.gz UAMUQXBEGOGFKJ-SJORKVTESA-N 2 2 384.952 2.783 20 0 GFADLP O=c1c(Br)nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000755745019 655888280 /nfs/dbraw/zinc/88/82/80/655888280.db2.gz LLFYWBGBRIQRBT-ZDUSSCGKSA-N 2 2 388.269 2.650 20 0 GFADLP O=c1c(Br)nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000755745019 655888283 /nfs/dbraw/zinc/88/82/83/655888283.db2.gz LLFYWBGBRIQRBT-ZDUSSCGKSA-N 2 2 388.269 2.650 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937866 661450058 /nfs/dbraw/zinc/45/00/58/661450058.db2.gz YTBBPUKUGUYXQW-CQSZACIVSA-N 2 2 391.387 2.818 20 0 GFADLP CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845675753 661489458 /nfs/dbraw/zinc/48/94/58/661489458.db2.gz KFWIYISSFIBVDY-HOCLYGCPSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845675753 661489461 /nfs/dbraw/zinc/48/94/61/661489461.db2.gz KFWIYISSFIBVDY-HOCLYGCPSA-N 2 2 391.387 2.770 20 0 GFADLP Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484722 661594409 /nfs/dbraw/zinc/59/44/09/661594409.db2.gz FIBAHTMXDZYHPA-AWEZNQCLSA-N 2 2 385.339 2.937 20 0 GFADLP Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484722 661594414 /nfs/dbraw/zinc/59/44/14/661594414.db2.gz FIBAHTMXDZYHPA-AWEZNQCLSA-N 2 2 385.339 2.937 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000855416841 661991584 /nfs/dbraw/zinc/99/15/84/661991584.db2.gz BYIZYAORVXSMCE-UHFFFAOYSA-N 2 2 399.308 2.683 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(ccc(F)c2Br)[nH]1 ZINC000855416841 661991585 /nfs/dbraw/zinc/99/15/85/661991585.db2.gz BYIZYAORVXSMCE-UHFFFAOYSA-N 2 2 399.308 2.683 20 0 GFADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccnc3Br)cc2)CC1 ZINC000865419916 662420166 /nfs/dbraw/zinc/42/01/66/662420166.db2.gz BWFSBHOQYDQCRQ-UHFFFAOYSA-N 2 2 389.341 2.881 20 0 GFADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(Cl)cc(Cl)c3F)cn2)CC1 ZINC000865817452 662445239 /nfs/dbraw/zinc/44/52/39/662445239.db2.gz JLCAYOSZJMWLJB-UHFFFAOYSA-N 2 2 384.286 2.964 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034503 662754295 /nfs/dbraw/zinc/75/42/95/662754295.db2.gz PIBRBHPOCDRAPE-AITUJVMLSA-N 2 2 395.341 2.980 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034503 662754298 /nfs/dbraw/zinc/75/42/98/662754298.db2.gz PIBRBHPOCDRAPE-AITUJVMLSA-N 2 2 395.341 2.980 20 0 GFADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000877636315 662880465 /nfs/dbraw/zinc/88/04/65/662880465.db2.gz SXNOATGXKOHNAP-OAHLLOKOSA-N 2 2 397.313 2.579 20 0 GFADLP O[C@@H](C[NH2+]Cc1cc(Br)c(Br)s1)C[NH+]1CCCC1 ZINC000885940347 663101762 /nfs/dbraw/zinc/10/17/62/663101762.db2.gz HDAWQLWQTPSEPV-VIFPVBQESA-N 2 2 398.164 2.819 20 0 GFADLP Cn1ncc(I)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000894058134 663440059 /nfs/dbraw/zinc/44/00/59/663440059.db2.gz RLSGKCUYRHAWPM-UHFFFAOYSA-N 2 2 390.313 2.579 20 0 GFADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816591 663807539 /nfs/dbraw/zinc/80/75/39/663807539.db2.gz ZNNYRQRUHLUWDE-AWEZNQCLSA-N 2 2 381.318 2.766 20 0 GFADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816591 663807540 /nfs/dbraw/zinc/80/75/40/663807540.db2.gz ZNNYRQRUHLUWDE-AWEZNQCLSA-N 2 2 381.318 2.766 20 0 GFADLP CCO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000922755320 664613386 /nfs/dbraw/zinc/61/33/86/664613386.db2.gz BFMBLXPRGONQHQ-LBPRGKRZSA-N 2 2 387.347 2.957 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000926114325 664682122 /nfs/dbraw/zinc/68/21/22/664682122.db2.gz DRVLWFAOPVKJGM-UHFFFAOYSA-N 2 2 393.688 2.786 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)C2 ZINC001164815627 720185266 /nfs/dbraw/zinc/18/52/66/720185266.db2.gz IPOXIRDOAKTCNP-RFWXGWTQSA-N 2 2 399.583 2.898 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)C2 ZINC001164815627 720185275 /nfs/dbraw/zinc/18/52/75/720185275.db2.gz IPOXIRDOAKTCNP-RFWXGWTQSA-N 2 2 399.583 2.898 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744231 720812851 /nfs/dbraw/zinc/81/28/51/720812851.db2.gz IELXGJYVZFLTDW-QKNQBKEWSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744231 720812853 /nfs/dbraw/zinc/81/28/53/720812853.db2.gz IELXGJYVZFLTDW-QKNQBKEWSA-N 2 2 395.555 2.879 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2)CC1 ZINC001164784313 721434986 /nfs/dbraw/zinc/43/49/86/721434986.db2.gz LAZBAYRWLKWZOX-IAGOWNOFSA-N 3 2 399.564 2.579 20 0 GFADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906968 721551607 /nfs/dbraw/zinc/55/16/07/721551607.db2.gz LLCCYTGWQPMLQO-QUCCMNQESA-N 2 2 397.498 2.948 20 0 GFADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164906968 721551611 /nfs/dbraw/zinc/55/16/11/721551611.db2.gz LLCCYTGWQPMLQO-QUCCMNQESA-N 2 2 397.498 2.948 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977532 722120532 /nfs/dbraw/zinc/12/05/32/722120532.db2.gz NLXWIGTZPDMBIQ-MOPGFXCFSA-N 2 2 392.507 2.697 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977532 722120533 /nfs/dbraw/zinc/12/05/33/722120533.db2.gz NLXWIGTZPDMBIQ-MOPGFXCFSA-N 2 2 392.507 2.697 20 0 GFADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)s1 ZINC000044850409 551144553 /nfs/dbraw/zinc/14/45/53/551144553.db2.gz CDEVIZCREZFAKC-UHFFFAOYSA-N 2 2 378.929 2.967 20 0 GFADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)s1 ZINC000044850409 551144556 /nfs/dbraw/zinc/14/45/56/551144556.db2.gz CDEVIZCREZFAKC-UHFFFAOYSA-N 2 2 378.929 2.967 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3F)CC2)CC1 ZINC000050800587 551161451 /nfs/dbraw/zinc/16/14/51/551161451.db2.gz SDIQJJVPNARCAA-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)cc(Br)c3)CC2)CC1 ZINC000050798093 551161459 /nfs/dbraw/zinc/16/14/59/551161459.db2.gz JMNZZPHYOQEDIO-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000153518097 551454436 /nfs/dbraw/zinc/45/44/36/551454436.db2.gz HIUOUZRKKOKTJH-QAPCUYQASA-N 2 2 383.330 2.527 20 0 GFADLP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000153518097 551454437 /nfs/dbraw/zinc/45/44/37/551454437.db2.gz HIUOUZRKKOKTJH-QAPCUYQASA-N 2 2 383.330 2.527 20 0 GFADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000156339533 551520613 /nfs/dbraw/zinc/52/06/13/551520613.db2.gz JAXGPLIBYPTHLM-MRXNPFEDSA-N 2 2 376.254 2.936 20 0 GFADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000156339533 551520615 /nfs/dbraw/zinc/52/06/15/551520615.db2.gz JAXGPLIBYPTHLM-MRXNPFEDSA-N 2 2 376.254 2.936 20 0 GFADLP COC1CC[NH+](CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000163727260 551621685 /nfs/dbraw/zinc/62/16/85/551621685.db2.gz GNJDNEQQQSMHCE-CQSZACIVSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168338344 551634786 /nfs/dbraw/zinc/63/47/86/551634786.db2.gz JDNGSHPIPBRQLY-AWEZNQCLSA-N 2 2 398.345 2.867 20 0 GFADLP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342508 552102709 /nfs/dbraw/zinc/10/27/09/552102709.db2.gz FLRHPANWOPFYRY-DLBZAZTESA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342508 552102712 /nfs/dbraw/zinc/10/27/12/552102712.db2.gz FLRHPANWOPFYRY-DLBZAZTESA-N 2 2 381.611 2.998 20 0 GFADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000192781536 552973591 /nfs/dbraw/zinc/97/35/91/552973591.db2.gz BPRCATSWCARZDA-MRXNPFEDSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000192781536 552973592 /nfs/dbraw/zinc/97/35/92/552973592.db2.gz BPRCATSWCARZDA-MRXNPFEDSA-N 2 2 386.367 2.874 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237757873 553081890 /nfs/dbraw/zinc/08/18/90/553081890.db2.gz YSWDBLSXLURPSR-CJNGLKHVSA-N 2 2 385.936 2.827 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262356376 553169755 /nfs/dbraw/zinc/16/97/55/553169755.db2.gz JMLUAUPJQRJTNU-CYBMUJFWSA-N 2 2 378.929 2.817 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000453586370 564459696 /nfs/dbraw/zinc/45/96/96/564459696.db2.gz JMCTZMSGEMCHAW-AWEZNQCLSA-N 2 2 388.375 2.851 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000453586370 564459698 /nfs/dbraw/zinc/45/96/98/564459698.db2.gz JMCTZMSGEMCHAW-AWEZNQCLSA-N 2 2 388.375 2.851 20 0 GFADLP CC(C)(C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCCCC1 ZINC000370577782 563249616 /nfs/dbraw/zinc/24/96/16/563249616.db2.gz MMFZLQMTQRXGTI-UHFFFAOYSA-N 2 2 385.599 2.755 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831081 563256968 /nfs/dbraw/zinc/25/69/68/563256968.db2.gz RWNMARSHWWRXCW-KRWDZBQOSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831081 563256970 /nfs/dbraw/zinc/25/69/70/563256970.db2.gz RWNMARSHWWRXCW-KRWDZBQOSA-N 2 2 380.330 2.690 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1c[nH+]c2ccc(Br)cn12 ZINC000371470951 563278467 /nfs/dbraw/zinc/27/84/67/563278467.db2.gz PTKAKHBOEHHRAF-HYVNUMGLSA-N 2 2 393.329 2.780 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626299 563345388 /nfs/dbraw/zinc/34/53/88/563345388.db2.gz DQYCAMQMGUJVFR-CQSZACIVSA-N 2 2 380.330 2.624 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944537 563351571 /nfs/dbraw/zinc/35/15/71/563351571.db2.gz MLFRYUXSMHKCCH-YJBOKZPZSA-N 2 2 397.357 2.854 20 0 GFADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005432 563387775 /nfs/dbraw/zinc/38/77/75/563387775.db2.gz OLWJWOSTZTWRRI-MSOLQXFVSA-N 2 2 385.599 2.609 20 0 GFADLP Clc1cc(Cl)cc(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000375337420 563400381 /nfs/dbraw/zinc/40/03/81/563400381.db2.gz SBIKRWSDYSKZAJ-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP Clc1cc(Cl)cc(CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000375337420 563400384 /nfs/dbraw/zinc/40/03/84/563400384.db2.gz SBIKRWSDYSKZAJ-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP C[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)[N@@H+]1CCc2sccc2C1 ZINC000302804571 563430672 /nfs/dbraw/zinc/43/06/72/563430672.db2.gz WEKXFZIUJXEZSR-AWEZNQCLSA-N 2 2 375.567 2.950 20 0 GFADLP C[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)[N@H+]1CCc2sccc2C1 ZINC000302804571 563430675 /nfs/dbraw/zinc/43/06/75/563430675.db2.gz WEKXFZIUJXEZSR-AWEZNQCLSA-N 2 2 375.567 2.950 20 0 GFADLP C[C@H](CCSc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000376798347 563454903 /nfs/dbraw/zinc/45/49/03/563454903.db2.gz GIRHPBYCVSLSFG-AEFFLSMTSA-N 2 2 382.595 2.798 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377633898 563481900 /nfs/dbraw/zinc/48/19/00/563481900.db2.gz YLTMJCVHIRMPQA-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377633898 563481903 /nfs/dbraw/zinc/48/19/03/563481903.db2.gz YLTMJCVHIRMPQA-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330584 563503113 /nfs/dbraw/zinc/50/31/13/563503113.db2.gz BLXIROYLWXMQDK-CVEARBPZSA-N 2 2 393.329 2.518 20 0 GFADLP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330584 563503115 /nfs/dbraw/zinc/50/31/15/563503115.db2.gz BLXIROYLWXMQDK-CVEARBPZSA-N 2 2 393.329 2.518 20 0 GFADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000429046744 563508444 /nfs/dbraw/zinc/50/84/44/563508444.db2.gz ODROWSWNRSOTGO-UHFFFAOYSA-N 2 2 390.325 2.808 20 0 GFADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000430216661 563538895 /nfs/dbraw/zinc/53/88/95/563538895.db2.gz FQJIZYRKTNSPEE-QGZVFWFLSA-N 2 2 380.330 2.668 20 0 GFADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000430216661 563538897 /nfs/dbraw/zinc/53/88/97/563538897.db2.gz FQJIZYRKTNSPEE-QGZVFWFLSA-N 2 2 380.330 2.668 20 0 GFADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430556140 563545319 /nfs/dbraw/zinc/54/53/19/563545319.db2.gz QEARBNKJBHCTAJ-OAHLLOKOSA-N 2 2 389.281 2.501 20 0 GFADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430584305 563546198 /nfs/dbraw/zinc/54/61/98/563546198.db2.gz OYKJBDQRIHCRHU-LLVKDONJSA-N 2 2 389.281 2.535 20 0 GFADLP C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430584305 563546197 /nfs/dbraw/zinc/54/61/97/563546197.db2.gz OYKJBDQRIHCRHU-LLVKDONJSA-N 2 2 389.281 2.535 20 0 GFADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ncc(Br)cn1 ZINC000431132586 563554013 /nfs/dbraw/zinc/55/40/13/563554013.db2.gz MUBCELZRUURTEB-SNVBAGLBSA-N 2 2 397.240 2.936 20 0 GFADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237463 563607367 /nfs/dbraw/zinc/60/73/67/563607367.db2.gz XCNBQFSZPBLTBI-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237463 563607370 /nfs/dbraw/zinc/60/73/70/563607370.db2.gz XCNBQFSZPBLTBI-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237463 563607374 /nfs/dbraw/zinc/60/73/74/563607374.db2.gz XCNBQFSZPBLTBI-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237463 563607376 /nfs/dbraw/zinc/60/73/76/563607376.db2.gz XCNBQFSZPBLTBI-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434997702 563641433 /nfs/dbraw/zinc/64/14/33/563641433.db2.gz WNOFWIGOMNDJQE-HNNXBMFYSA-N 2 2 380.286 2.792 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360694021 563694400 /nfs/dbraw/zinc/69/44/00/563694400.db2.gz VLVVFXNHHKMCRB-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360694021 563694402 /nfs/dbraw/zinc/69/44/02/563694402.db2.gz VLVVFXNHHKMCRB-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459093 563753448 /nfs/dbraw/zinc/75/34/48/563753448.db2.gz QSUQOLNIVBRPTR-RBUKOAKNSA-N 2 2 396.373 2.896 20 0 GFADLP COC[C@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC[NH2+]1 ZINC000414948531 563755026 /nfs/dbraw/zinc/75/50/26/563755026.db2.gz XNWRBMUCQATWSQ-OAHLLOKOSA-N 2 2 379.245 2.909 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140940 563760523 /nfs/dbraw/zinc/76/05/23/563760523.db2.gz OCFZWRAOTZHRBE-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140940 563760526 /nfs/dbraw/zinc/76/05/26/563760526.db2.gz OCFZWRAOTZHRBE-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141505 563761389 /nfs/dbraw/zinc/76/13/89/563761389.db2.gz PNFISXRQSLCUNJ-QWHCGFSZSA-N 2 2 389.352 2.775 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141505 563761391 /nfs/dbraw/zinc/76/13/91/563761391.db2.gz PNFISXRQSLCUNJ-QWHCGFSZSA-N 2 2 389.352 2.775 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204671 563778535 /nfs/dbraw/zinc/77/85/35/563778535.db2.gz SODOAARSYNPXKY-RDTXWAMCSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204671 563778537 /nfs/dbraw/zinc/77/85/37/563778537.db2.gz SODOAARSYNPXKY-RDTXWAMCSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204671 563778539 /nfs/dbraw/zinc/77/85/39/563778539.db2.gz SODOAARSYNPXKY-RDTXWAMCSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204671 563778540 /nfs/dbraw/zinc/77/85/40/563778540.db2.gz SODOAARSYNPXKY-RDTXWAMCSA-N 2 2 380.330 2.654 20 0 GFADLP C[NH+](C)C1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000416308498 563814923 /nfs/dbraw/zinc/81/49/23/563814923.db2.gz RENTXEKALOVBLY-MRXNPFEDSA-N 2 2 380.330 2.796 20 0 GFADLP [NH3+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000416994143 563865451 /nfs/dbraw/zinc/86/54/51/563865451.db2.gz JMJJIOITVMJQAB-MRXNPFEDSA-N 2 2 378.929 2.759 20 0 GFADLP [NH3+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000416994143 563865452 /nfs/dbraw/zinc/86/54/52/563865452.db2.gz JMJJIOITVMJQAB-MRXNPFEDSA-N 2 2 378.929 2.759 20 0 GFADLP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000417982108 563893588 /nfs/dbraw/zinc/89/35/88/563893588.db2.gz ARHCOJZKZDEVRX-CYBMUJFWSA-N 2 2 385.339 2.961 20 0 GFADLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986205 563893634 /nfs/dbraw/zinc/89/36/34/563893634.db2.gz DXKPHHCAVIZKBB-MRXNPFEDSA-N 2 2 377.286 2.869 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000418021127 563895584 /nfs/dbraw/zinc/89/55/84/563895584.db2.gz OYHZTHLIIDMUGU-ZIAGYGMSSA-N 2 2 394.317 2.517 20 0 GFADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358119 564187551 /nfs/dbraw/zinc/18/75/51/564187551.db2.gz YRELYZVJJAPPNL-CVEARBPZSA-N 2 2 377.298 2.568 20 0 GFADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358119 564187555 /nfs/dbraw/zinc/18/75/55/564187555.db2.gz YRELYZVJJAPPNL-CVEARBPZSA-N 2 2 377.298 2.568 20 0 GFADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679274 564195810 /nfs/dbraw/zinc/19/58/10/564195810.db2.gz HTHXSUBIBWVFGN-VBQJREDUSA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679274 564195811 /nfs/dbraw/zinc/19/58/11/564195811.db2.gz HTHXSUBIBWVFGN-VBQJREDUSA-N 2 2 385.346 2.539 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202404 564213206 /nfs/dbraw/zinc/21/32/06/564213206.db2.gz HVDWVQHYAAFEDF-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202404 564213208 /nfs/dbraw/zinc/21/32/08/564213208.db2.gz HVDWVQHYAAFEDF-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)s1 ZINC000539859429 564230573 /nfs/dbraw/zinc/23/05/73/564230573.db2.gz NDHOQQQITXMVJH-UHFFFAOYSA-N 2 2 378.523 2.716 20 0 GFADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724607 564286804 /nfs/dbraw/zinc/28/68/04/564286804.db2.gz BZRKJYQQFUWZFI-IXDOHACOSA-N 2 2 386.005 2.873 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000509439752 564299404 /nfs/dbraw/zinc/29/94/04/564299404.db2.gz PMDRIXGPJNRQAN-OCCSQVGLSA-N 2 2 386.277 2.885 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000509439752 564299408 /nfs/dbraw/zinc/29/94/08/564299408.db2.gz PMDRIXGPJNRQAN-OCCSQVGLSA-N 2 2 386.277 2.885 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000566122544 564310644 /nfs/dbraw/zinc/31/06/44/564310644.db2.gz NLHUPIXHBSCHEL-HCPBGUCYSA-N 2 2 383.330 2.522 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652993 564381413 /nfs/dbraw/zinc/38/14/13/564381413.db2.gz BDGFZLPHZFZFEH-ZFWWWQNUSA-N 2 2 378.318 2.992 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080110 564425286 /nfs/dbraw/zinc/42/52/86/564425286.db2.gz NOUJCEJDDPVROB-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080110 564425290 /nfs/dbraw/zinc/42/52/90/564425290.db2.gz NOUJCEJDDPVROB-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513526517 564431372 /nfs/dbraw/zinc/43/13/72/564431372.db2.gz VECXNRVZCOFLNG-UHFFFAOYSA-N 2 2 393.272 2.939 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479288625 564434388 /nfs/dbraw/zinc/43/43/88/564434388.db2.gz UJGFGBKHBFLPHQ-QAPCUYQASA-N 2 2 396.373 2.912 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479288625 564434390 /nfs/dbraw/zinc/43/43/90/564434390.db2.gz UJGFGBKHBFLPHQ-QAPCUYQASA-N 2 2 396.373 2.912 20 0 GFADLP CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246128 564450375 /nfs/dbraw/zinc/45/03/75/564450375.db2.gz MIZBGQYTIPJCQY-BBRMVZONSA-N 2 2 377.501 2.611 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(C)(F)F ZINC000453279534 564452207 /nfs/dbraw/zinc/45/22/07/564452207.db2.gz FWHDYVJHBFZQKC-UONOGXRCSA-N 2 2 377.501 2.611 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CCC[NH+](C)C)[nH+]c12 ZINC000546861103 564471592 /nfs/dbraw/zinc/47/15/92/564471592.db2.gz WYYUFZZYOGVYSB-UHFFFAOYSA-N 2 2 396.333 2.541 20 0 GFADLP C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCCC[NH2+]1 ZINC000569684612 564474344 /nfs/dbraw/zinc/47/43/44/564474344.db2.gz MYMQAWUCGLZKNJ-WBVHZDCISA-N 2 2 385.599 2.585 20 0 GFADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000571441868 564551947 /nfs/dbraw/zinc/55/19/47/564551947.db2.gz OIUFBRDXICQCEG-RRQGHBQHSA-N 2 2 380.330 2.843 20 0 GFADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@@H+]1C ZINC000455860580 564575401 /nfs/dbraw/zinc/57/54/01/564575401.db2.gz FHWMOHKZFJTOJH-RYUDHWBXSA-N 2 2 384.322 2.857 20 0 GFADLP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@H+]1C ZINC000455860580 564575406 /nfs/dbraw/zinc/57/54/06/564575406.db2.gz FHWMOHKZFJTOJH-RYUDHWBXSA-N 2 2 384.322 2.857 20 0 GFADLP C[C@@H](CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C[NH+]1CCCC1 ZINC000455858336 564575521 /nfs/dbraw/zinc/57/55/21/564575521.db2.gz BFVILQBLODYTHX-LBPRGKRZSA-N 2 2 384.322 2.764 20 0 GFADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1I)C[NH+]1CCOCC1 ZINC000484147525 564582304 /nfs/dbraw/zinc/58/23/04/564582304.db2.gz SFGDABASKPZZIY-KGLIPLIRSA-N 2 2 388.293 2.910 20 0 GFADLP C[C@H](C[NH2+][C@H](C)c1ccccc1I)C[NH+]1CCOCC1 ZINC000484147531 564582620 /nfs/dbraw/zinc/58/26/20/564582620.db2.gz SFGDABASKPZZIY-ZIAGYGMSSA-N 2 2 388.293 2.910 20 0 GFADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000576941687 564721706 /nfs/dbraw/zinc/72/17/06/564721706.db2.gz OFELFFOEYATYPA-RHSMWYFYSA-N 2 2 380.330 2.702 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580543678 564763326 /nfs/dbraw/zinc/76/33/26/564763326.db2.gz NOXAYLWJBVWCKV-ATLSCFEFSA-N 2 2 399.373 2.830 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580543678 564763328 /nfs/dbraw/zinc/76/33/28/564763328.db2.gz NOXAYLWJBVWCKV-ATLSCFEFSA-N 2 2 399.373 2.830 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369036 564790969 /nfs/dbraw/zinc/79/09/69/564790969.db2.gz XNKZCWFBPMDKEY-MNOVXSKESA-N 2 2 380.341 2.633 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369036 564790972 /nfs/dbraw/zinc/79/09/72/564790972.db2.gz XNKZCWFBPMDKEY-MNOVXSKESA-N 2 2 380.341 2.633 20 0 GFADLP Fc1cc(Br)cnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000529530300 564840856 /nfs/dbraw/zinc/84/08/56/564840856.db2.gz QSPCSSGJKSAIQM-UHFFFAOYSA-N 2 2 386.309 2.918 20 0 GFADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264559 564863860 /nfs/dbraw/zinc/86/38/60/564863860.db2.gz GYYVYLSMMIMPTO-XCRHUMRWSA-N 2 2 385.936 2.778 20 0 GFADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264559 564863862 /nfs/dbraw/zinc/86/38/62/564863862.db2.gz GYYVYLSMMIMPTO-XCRHUMRWSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264559 564863865 /nfs/dbraw/zinc/86/38/65/564863865.db2.gz GYYVYLSMMIMPTO-XCRHUMRWSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264559 564863868 /nfs/dbraw/zinc/86/38/68/564863868.db2.gz GYYVYLSMMIMPTO-XCRHUMRWSA-N 2 2 385.936 2.778 20 0 GFADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1ccc(Br)cc1 ZINC000583258711 564883180 /nfs/dbraw/zinc/88/31/80/564883180.db2.gz FEAPTMKKLADMQO-HNNXBMFYSA-N 2 2 380.286 2.511 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731283 564971178 /nfs/dbraw/zinc/97/11/78/564971178.db2.gz AWMPPRJRBFLSNT-RYUDHWBXSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731283 564971180 /nfs/dbraw/zinc/97/11/80/564971180.db2.gz AWMPPRJRBFLSNT-RYUDHWBXSA-N 2 2 378.464 2.755 20 0 GFADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268738 564983666 /nfs/dbraw/zinc/98/36/66/564983666.db2.gz PHNZEUAFAHYIDB-WBVHZDCISA-N 2 2 378.929 2.716 20 0 GFADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268738 564983670 /nfs/dbraw/zinc/98/36/70/564983670.db2.gz PHNZEUAFAHYIDB-WBVHZDCISA-N 2 2 378.929 2.716 20 0 GFADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000537866313 565064216 /nfs/dbraw/zinc/06/42/16/565064216.db2.gz ZJKJOVYJBPXEDT-UHFFFAOYSA-N 2 2 382.346 2.824 20 0 GFADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000537866313 565064218 /nfs/dbraw/zinc/06/42/18/565064218.db2.gz ZJKJOVYJBPXEDT-UHFFFAOYSA-N 2 2 382.346 2.824 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484987 565103228 /nfs/dbraw/zinc/10/32/28/565103228.db2.gz HYJAFTKJAUVBKA-AWEZNQCLSA-N 2 2 378.314 2.841 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccsc2C(F)(F)F)CC1 ZINC000636987537 565133678 /nfs/dbraw/zinc/13/36/78/565133678.db2.gz ORHFCTFIRSGDLB-UHFFFAOYSA-N 2 2 378.464 2.592 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Br)c(F)c1F ZINC000638983209 565220084 /nfs/dbraw/zinc/22/00/84/565220084.db2.gz CLKNJBQSJDYOHC-UHFFFAOYSA-N 2 2 397.223 2.784 20 0 GFADLP CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCOCC1 ZINC000639063495 565222794 /nfs/dbraw/zinc/22/27/94/565222794.db2.gz WWPPDEASIFQIGB-KRWDZBQOSA-N 2 2 396.329 2.979 20 0 GFADLP CCn1cc[nH+]c1[C@@H](NC[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581396 565234367 /nfs/dbraw/zinc/23/43/67/565234367.db2.gz UMXKAXSAJHDWAN-RISCZKNCSA-N 2 2 384.265 2.534 20 0 GFADLP Brc1ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000639328482 565238562 /nfs/dbraw/zinc/23/85/62/565238562.db2.gz RMTCGEWYALOCRV-AWEZNQCLSA-N 2 2 380.286 2.933 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000617768239 565258167 /nfs/dbraw/zinc/25/81/67/565258167.db2.gz VLHWRSGSYWSYCL-UHFFFAOYSA-N 2 2 399.308 2.683 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000617768239 565258171 /nfs/dbraw/zinc/25/81/71/565258171.db2.gz VLHWRSGSYWSYCL-UHFFFAOYSA-N 2 2 399.308 2.683 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298748 565358791 /nfs/dbraw/zinc/35/87/91/565358791.db2.gz XKWQUAKPDATIST-GUYCJALGSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298748 565358796 /nfs/dbraw/zinc/35/87/96/565358796.db2.gz XKWQUAKPDATIST-GUYCJALGSA-N 2 2 398.320 2.826 20 0 GFADLP COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593967812 565370946 /nfs/dbraw/zinc/37/09/46/565370946.db2.gz DWMOULRZYZTCIY-LBPRGKRZSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593967812 565370952 /nfs/dbraw/zinc/37/09/52/565370952.db2.gz DWMOULRZYZTCIY-LBPRGKRZSA-N 2 2 378.270 2.959 20 0 GFADLP O=C(N1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662667155 565380997 /nfs/dbraw/zinc/38/09/97/565380997.db2.gz YUTOYMHCTNXQGD-INIZCTEOSA-N 2 2 375.822 2.526 20 0 GFADLP Cc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c(C)[nH+]1 ZINC000663479815 565423210 /nfs/dbraw/zinc/42/32/10/565423210.db2.gz KGFXFVBCDCOHFQ-UHFFFAOYSA-N 2 2 383.334 2.795 20 0 GFADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000594946607 565437079 /nfs/dbraw/zinc/43/70/79/565437079.db2.gz QLQUCBCHBLHDAY-KCPJHIHWSA-N 2 2 380.286 2.735 20 0 GFADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000623336839 565504440 /nfs/dbraw/zinc/50/44/40/565504440.db2.gz IFYGCEBQLAWQEB-UHFFFAOYSA-N 2 2 390.355 2.746 20 0 GFADLP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)ncc1Br ZINC000623352833 565505847 /nfs/dbraw/zinc/50/58/47/565505847.db2.gz PMNGGMCPJZRRTI-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086750 565542307 /nfs/dbraw/zinc/54/23/07/565542307.db2.gz URURHAUCOYMEHO-IRXDYDNUSA-N 2 2 382.346 2.700 20 0 GFADLP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086750 565542309 /nfs/dbraw/zinc/54/23/09/565542309.db2.gz URURHAUCOYMEHO-IRXDYDNUSA-N 2 2 382.346 2.700 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@]3(O)CCOC3)c[nH+]c12 ZINC000647247220 565649308 /nfs/dbraw/zinc/64/93/08/565649308.db2.gz DDGHOIBLKCYQHB-KRWDZBQOSA-N 2 2 382.302 2.672 20 0 GFADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000647492779 565661779 /nfs/dbraw/zinc/66/17/79/565661779.db2.gz YMPINRUCXZQYPB-UHFFFAOYSA-N 2 2 380.945 2.713 20 0 GFADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000647492779 565661783 /nfs/dbraw/zinc/66/17/83/565661783.db2.gz YMPINRUCXZQYPB-UHFFFAOYSA-N 2 2 380.945 2.713 20 0 GFADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886641 565920130 /nfs/dbraw/zinc/92/01/30/565920130.db2.gz KEFQTQPPTJKLRJ-KBXCAEBGSA-N 2 2 384.351 2.977 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345439 565922680 /nfs/dbraw/zinc/92/26/80/565922680.db2.gz BWJPNCUELRBTER-JJRVBVJISA-N 2 2 396.329 2.606 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345439 565922682 /nfs/dbraw/zinc/92/26/82/565922682.db2.gz BWJPNCUELRBTER-JJRVBVJISA-N 2 2 396.329 2.606 20 0 GFADLP C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354535 565923312 /nfs/dbraw/zinc/92/33/12/565923312.db2.gz BOTOUCPRWMYCGV-BBRMVZONSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354535 565923317 /nfs/dbraw/zinc/92/33/17/565923317.db2.gz BOTOUCPRWMYCGV-BBRMVZONSA-N 2 2 389.359 2.672 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652357022 565924515 /nfs/dbraw/zinc/92/45/15/565924515.db2.gz WXJGFNHCJJEIJF-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652357022 565924522 /nfs/dbraw/zinc/92/45/22/565924522.db2.gz WXJGFNHCJJEIJF-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631090646 565939955 /nfs/dbraw/zinc/93/99/55/565939955.db2.gz HPLIQCXZARTTBE-HZPDHXFCSA-N 2 2 388.737 2.965 20 0 GFADLP Brc1c[nH]nc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000606470493 565966046 /nfs/dbraw/zinc/96/60/46/565966046.db2.gz XVYYMVVXGYTUAT-UHFFFAOYSA-N 2 2 379.302 2.937 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885923 565981185 /nfs/dbraw/zinc/98/11/85/565981185.db2.gz FEDLCQYCTDUYSC-JLJPHGGASA-N 2 2 380.330 2.700 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885923 565981186 /nfs/dbraw/zinc/98/11/86/565981186.db2.gz FEDLCQYCTDUYSC-JLJPHGGASA-N 2 2 380.330 2.700 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)CCCn3cc[nH+]c3)[nH+]c12 ZINC000680548790 566075938 /nfs/dbraw/zinc/07/59/38/566075938.db2.gz CBSPGTJTOKYIQT-UHFFFAOYSA-N 2 2 376.258 2.698 20 0 GFADLP Brc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655710586 566084428 /nfs/dbraw/zinc/08/44/28/566084428.db2.gz AHWIMCMYOIQSKI-IAGOWNOFSA-N 2 2 394.357 2.871 20 0 GFADLP Fc1cc2c(cc1Br)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000656259273 566119256 /nfs/dbraw/zinc/11/92/56/566119256.db2.gz CMMCYEFAKRSRMH-BLLLJJGKSA-N 2 2 385.277 2.865 20 0 GFADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1Br ZINC000682914428 566177058 /nfs/dbraw/zinc/17/70/58/566177058.db2.gz PTKFFGRLIIPSDE-UHFFFAOYSA-N 2 2 382.346 2.822 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549856 566218607 /nfs/dbraw/zinc/21/86/07/566218607.db2.gz AKBXJVAGEPWEFX-JTQLQIEISA-N 2 2 389.302 2.613 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549856 566218611 /nfs/dbraw/zinc/21/86/11/566218611.db2.gz AKBXJVAGEPWEFX-JTQLQIEISA-N 2 2 389.302 2.613 20 0 GFADLP C[NH+](C)[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736757901 598670771 /nfs/dbraw/zinc/67/07/71/598670771.db2.gz ZDUUOHMLHBJOIL-NSHDSACASA-N 2 2 389.410 2.547 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826182439 607526601 /nfs/dbraw/zinc/52/66/01/607526601.db2.gz JSVPHWSFONIIQA-KRWDZBQOSA-N 2 2 384.528 2.963 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826182439 607526603 /nfs/dbraw/zinc/52/66/03/607526603.db2.gz JSVPHWSFONIIQA-KRWDZBQOSA-N 2 2 384.528 2.963 20 0 GFADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821114537 606721098 /nfs/dbraw/zinc/72/10/98/606721098.db2.gz WOFHGIJXTLRQTB-UHFFFAOYSA-N 2 2 391.523 2.689 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000826521126 608696784 /nfs/dbraw/zinc/69/67/84/608696784.db2.gz AEZPDHJBIOZTCY-OAQYLSRUSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000826521126 608696788 /nfs/dbraw/zinc/69/67/88/608696788.db2.gz AEZPDHJBIOZTCY-OAQYLSRUSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521126 608696790 /nfs/dbraw/zinc/69/67/90/608696790.db2.gz AEZPDHJBIOZTCY-OAQYLSRUSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521126 608696794 /nfs/dbraw/zinc/69/67/94/608696794.db2.gz AEZPDHJBIOZTCY-OAQYLSRUSA-N 2 2 378.480 2.948 20 0 GFADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Br)c1 ZINC000818951333 660236981 /nfs/dbraw/zinc/23/69/81/660236981.db2.gz BWRFJTDAOOOFIE-MRXNPFEDSA-N 2 2 382.277 2.987 20 0 GFADLP Cc1nc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000128458766 654847494 /nfs/dbraw/zinc/84/74/94/654847494.db2.gz HZHCXZDKFQUUQV-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1nc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000128458766 654847496 /nfs/dbraw/zinc/84/74/96/654847496.db2.gz HZHCXZDKFQUUQV-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838680557 661053814 /nfs/dbraw/zinc/05/38/14/661053814.db2.gz JMCQBSGGUPKNPD-RDJZCZTQSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCC[C@@]1(C)CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838680557 661053816 /nfs/dbraw/zinc/05/38/16/661053816.db2.gz JMCQBSGGUPKNPD-RDJZCZTQSA-N 2 2 391.387 2.770 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243971 655167427 /nfs/dbraw/zinc/16/74/27/655167427.db2.gz JLIXKVPHWWUJPI-INIZCTEOSA-N 2 2 380.286 2.722 20 0 GFADLP Cc1c(Br)scc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000274607871 655194254 /nfs/dbraw/zinc/19/42/54/655194254.db2.gz PAUWIZGHDUQTKV-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1c(Br)scc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000274607871 655194256 /nfs/dbraw/zinc/19/42/56/655194256.db2.gz PAUWIZGHDUQTKV-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077548 655457141 /nfs/dbraw/zinc/45/71/41/655457141.db2.gz LVBWAYILWSXSMF-FCLXEUQJSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077548 655457143 /nfs/dbraw/zinc/45/71/43/655457143.db2.gz LVBWAYILWSXSMF-FCLXEUQJSA-N 2 2 395.345 2.578 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683076 655566653 /nfs/dbraw/zinc/56/66/53/655566653.db2.gz BBZSDSPWDLEKIA-IAGOWNOFSA-N 2 2 379.298 2.678 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683076 655566655 /nfs/dbraw/zinc/56/66/55/655566655.db2.gz BBZSDSPWDLEKIA-IAGOWNOFSA-N 2 2 379.298 2.678 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccnc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000758243784 655927286 /nfs/dbraw/zinc/92/72/86/655927286.db2.gz HQAIATIFHUZQNX-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782486923 657150013 /nfs/dbraw/zinc/15/00/13/657150013.db2.gz QFNORBPASNPDCW-UHFFFAOYSA-N 2 2 381.874 2.550 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000782486923 657150018 /nfs/dbraw/zinc/15/00/18/657150018.db2.gz QFNORBPASNPDCW-UHFFFAOYSA-N 2 2 381.874 2.550 20 0 GFADLP O=C1O[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC12CC2 ZINC000796185264 658898526 /nfs/dbraw/zinc/89/85/26/658898526.db2.gz GXUIYUGEPLSKCH-AWEZNQCLSA-N 2 2 394.269 2.837 20 0 GFADLP O=C1O[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC12CC2 ZINC000796185264 658898528 /nfs/dbraw/zinc/89/85/28/658898528.db2.gz GXUIYUGEPLSKCH-AWEZNQCLSA-N 2 2 394.269 2.837 20 0 GFADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1SC(F)(F)F ZINC000843385033 661379064 /nfs/dbraw/zinc/37/90/64/661379064.db2.gz QFIKXNDDUBZLDJ-CQSZACIVSA-N 2 2 375.460 2.787 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227400 661538752 /nfs/dbraw/zinc/53/87/52/661538752.db2.gz QJDQCNHWMATUCD-CYZMBNFOSA-N 2 2 380.842 2.953 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227400 661538760 /nfs/dbraw/zinc/53/87/60/661538760.db2.gz QJDQCNHWMATUCD-CYZMBNFOSA-N 2 2 380.842 2.953 20 0 GFADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850492583 661779197 /nfs/dbraw/zinc/77/91/97/661779197.db2.gz FDOHPMQTGGPTPZ-SGANQWHYSA-N 2 2 376.488 2.983 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942717 662053038 /nfs/dbraw/zinc/05/30/38/662053038.db2.gz COHJYSATBSBLDR-OAHLLOKOSA-N 2 2 391.387 2.772 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942717 662053041 /nfs/dbraw/zinc/05/30/41/662053041.db2.gz COHJYSATBSBLDR-OAHLLOKOSA-N 2 2 391.387 2.772 20 0 GFADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccnc3Br)cn2)CC1 ZINC000865414817 662419846 /nfs/dbraw/zinc/41/98/46/662419846.db2.gz DNAULMGWZBMXNK-UHFFFAOYSA-N 2 2 390.329 2.671 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000877976076 662887355 /nfs/dbraw/zinc/88/73/55/662887355.db2.gz LCKDBCPRVHPYJE-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000877976076 662887356 /nfs/dbraw/zinc/88/73/56/662887356.db2.gz LCKDBCPRVHPYJE-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000894156388 663445901 /nfs/dbraw/zinc/44/59/01/663445901.db2.gz IBVHQFDQBWLDAW-UHFFFAOYSA-N 2 2 378.318 2.853 20 0 GFADLP Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895359557 663509950 /nfs/dbraw/zinc/50/99/50/663509950.db2.gz HJGKZMCLNHEEFI-OAHLLOKOSA-N 2 2 384.977 2.845 20 0 GFADLP Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895359557 663509951 /nfs/dbraw/zinc/50/99/51/663509951.db2.gz HJGKZMCLNHEEFI-OAHLLOKOSA-N 2 2 384.977 2.845 20 0 GFADLP Brc1ccc([C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727140 663805353 /nfs/dbraw/zinc/80/53/53/663805353.db2.gz QWCDBTHBPNVFON-SQNIBIBYSA-N 2 2 381.314 2.591 20 0 GFADLP Brc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727140 663805355 /nfs/dbraw/zinc/80/53/55/663805355.db2.gz QWCDBTHBPNVFON-SQNIBIBYSA-N 2 2 381.314 2.591 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911107 663811153 /nfs/dbraw/zinc/81/11/53/663811153.db2.gz WZWLOTLHARWJDX-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911107 663811155 /nfs/dbraw/zinc/81/11/55/663811155.db2.gz WZWLOTLHARWJDX-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000908262351 664095962 /nfs/dbraw/zinc/09/59/62/664095962.db2.gz VBYCPBNZPXLFSV-UHFFFAOYSA-N 2 2 391.313 2.838 20 0 GFADLP COC(=O)c1cc(Br)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000923369578 664629129 /nfs/dbraw/zinc/62/91/29/664629129.db2.gz LBQQLJVDHQHGMK-HNNXBMFYSA-N 2 2 385.302 2.722 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078260 664666326 /nfs/dbraw/zinc/66/63/26/664666326.db2.gz GRPXVKLOBDBTRN-DZGCQCFKSA-N 2 2 377.476 2.824 20 0 GFADLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000931355259 664792315 /nfs/dbraw/zinc/79/23/15/664792315.db2.gz PKODLTFIDWEVHF-HNNXBMFYSA-N 2 2 389.309 2.744 20 0 GFADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164725420 720316773 /nfs/dbraw/zinc/31/67/73/720316773.db2.gz VJOQARNSVRGJES-FQEVSTJZSA-N 2 2 396.539 2.693 20 0 GFADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164725420 720316782 /nfs/dbraw/zinc/31/67/82/720316782.db2.gz VJOQARNSVRGJES-FQEVSTJZSA-N 2 2 396.539 2.693 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC001164823592 720337721 /nfs/dbraw/zinc/33/77/21/720337721.db2.gz HEHLLGXOBJEJEZ-RTBURBONSA-N 2 2 385.556 2.820 20 0 GFADLP COc1cc2[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)ccc2c(OC)c1 ZINC001164734447 720532248 /nfs/dbraw/zinc/53/22/48/720532248.db2.gz IOYZEMKSNZSHNO-HNNXBMFYSA-N 2 2 381.480 2.647 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743137 720846506 /nfs/dbraw/zinc/84/65/06/720846506.db2.gz IWYMRSPUATWULY-XUVXKRRUSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743137 720846508 /nfs/dbraw/zinc/84/65/08/720846508.db2.gz IWYMRSPUATWULY-XUVXKRRUSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]c2ccccc12 ZINC001164794049 721513206 /nfs/dbraw/zinc/51/32/06/721513206.db2.gz CREHPDRSWGVHOU-UHFFFAOYSA-N 2 2 376.508 2.507 20 0 GFADLP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]ccc3c4c([nH]c31)CCC4)CCC2 ZINC001165003491 722257847 /nfs/dbraw/zinc/25/78/47/722257847.db2.gz FFQWOTXVLAWMNI-UHFFFAOYSA-N 2 2 394.523 2.737 20 0 GFADLP C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1C ZINC000112645187 551206424 /nfs/dbraw/zinc/20/64/24/551206424.db2.gz CZQKMANRVFHAKB-HZPDHXFCSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1C ZINC000112645187 551206426 /nfs/dbraw/zinc/20/64/26/551206426.db2.gz CZQKMANRVFHAKB-HZPDHXFCSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000127770341 551344540 /nfs/dbraw/zinc/34/45/40/551344540.db2.gz HOFUYXOYJFXVFO-OAHLLOKOSA-N 2 2 379.551 2.535 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000153815209 551461080 /nfs/dbraw/zinc/46/10/80/551461080.db2.gz MCYPWFBPVHQQBT-AWEZNQCLSA-N 2 2 387.391 2.985 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696622 551481066 /nfs/dbraw/zinc/48/10/66/551481066.db2.gz KDCOIHBYHIHCIF-IBGZPJMESA-N 2 2 386.367 2.960 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3SCCc4sccc43)CC2)CC1 ZINC000172929817 551690108 /nfs/dbraw/zinc/69/01/08/551690108.db2.gz UPMVVZVDXFTLDW-SFHVURJKSA-N 2 2 379.595 2.753 20 0 GFADLP Cc1c(Br)cccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175317585 552119410 /nfs/dbraw/zinc/11/94/10/552119410.db2.gz NQXGTVRWTCBYRP-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968827 552207996 /nfs/dbraw/zinc/20/79/96/552207996.db2.gz ZBJUDVYGKPASOB-PBHICJAKSA-N 2 2 379.551 2.883 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075436 552549753 /nfs/dbraw/zinc/54/97/53/552549753.db2.gz WCSBMVFCVREBSB-INIZCTEOSA-N 2 2 377.286 2.773 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075436 552549755 /nfs/dbraw/zinc/54/97/55/552549755.db2.gz WCSBMVFCVREBSB-INIZCTEOSA-N 2 2 377.286 2.773 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ncccc2Br)([NH+]2CCCCC2)CC1 ZINC000193369753 552991116 /nfs/dbraw/zinc/99/11/16/552991116.db2.gz UQCASXIEQOMSRZ-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP C[C@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000237680336 553080414 /nfs/dbraw/zinc/08/04/14/553080414.db2.gz ROVIBSYZJHHDQJ-OLZOCXBDSA-N 2 2 379.302 2.739 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000238136243 553086424 /nfs/dbraw/zinc/08/64/24/553086424.db2.gz VRLCZHHTNTWEMN-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP Brc1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261719005 553157553 /nfs/dbraw/zinc/15/75/53/553157553.db2.gz KOHQWPJXJNBPRR-UHFFFAOYSA-N 2 2 376.302 2.523 20 0 GFADLP FC(F)(F)c1cc(Br)cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086923 553165845 /nfs/dbraw/zinc/16/58/45/553165845.db2.gz GGTOMOXQZMSENK-HNNXBMFYSA-N 2 2 392.263 2.947 20 0 GFADLP FC(F)(F)c1cc(Br)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086923 553165848 /nfs/dbraw/zinc/16/58/48/553165848.db2.gz GGTOMOXQZMSENK-HNNXBMFYSA-N 2 2 392.263 2.947 20 0 GFADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O[C@@H](C)C(=O)NC)CC1 ZINC000294823239 563218320 /nfs/dbraw/zinc/21/83/20/563218320.db2.gz ROCPVGGOHKVJIX-ZDUSSCGKSA-N 2 2 398.345 2.536 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295177840 563232958 /nfs/dbraw/zinc/23/29/58/563232958.db2.gz VFXPSAXEOLRKII-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295177840 563232962 /nfs/dbraw/zinc/23/29/62/563232962.db2.gz VFXPSAXEOLRKII-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP CN(C(=O)c1ccc(Br)c(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842901 563256977 /nfs/dbraw/zinc/25/69/77/563256977.db2.gz QIXYXHOLYMWMQO-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(Br)c(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842901 563256979 /nfs/dbraw/zinc/25/69/79/563256979.db2.gz QIXYXHOLYMWMQO-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294641 563271897 /nfs/dbraw/zinc/27/18/97/563271897.db2.gz MEKFIGUYDFSVQH-ZACQAIPSSA-N 2 2 396.329 2.571 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294641 563271900 /nfs/dbraw/zinc/27/19/00/563271900.db2.gz MEKFIGUYDFSVQH-ZACQAIPSSA-N 2 2 396.329 2.571 20 0 GFADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000371360708 563274234 /nfs/dbraw/zinc/27/42/34/563274234.db2.gz IYPKKFQIWYBVSA-MRXNPFEDSA-N 2 2 382.346 2.540 20 0 GFADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000371360708 563274235 /nfs/dbraw/zinc/27/42/35/563274235.db2.gz IYPKKFQIWYBVSA-MRXNPFEDSA-N 2 2 382.346 2.540 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1c[nH+]c2ccc(Br)cn12 ZINC000371470953 563278531 /nfs/dbraw/zinc/27/85/31/563278531.db2.gz PTKAKHBOEHHRAF-PVAVHDDUSA-N 2 2 393.329 2.780 20 0 GFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280066046 563321210 /nfs/dbraw/zinc/32/12/10/563321210.db2.gz KTHQABUJWYHHJK-JTQLQIEISA-N 2 2 380.341 2.776 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095527 563322203 /nfs/dbraw/zinc/32/22/03/563322203.db2.gz MSWDXMKDOCKDJB-MNOVXSKESA-N 2 2 392.352 2.776 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095527 563322206 /nfs/dbraw/zinc/32/22/06/563322206.db2.gz MSWDXMKDOCKDJB-MNOVXSKESA-N 2 2 392.352 2.776 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422944295 563351324 /nfs/dbraw/zinc/35/13/24/563351324.db2.gz LIIZCOFCJISMTM-CABCVRRESA-N 2 2 391.256 2.907 20 0 GFADLP Brc1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2c1 ZINC000423034262 563353254 /nfs/dbraw/zinc/35/32/54/563353254.db2.gz PQSCFEDZNQDMBD-ROUUACIJSA-N 2 2 378.314 2.830 20 0 GFADLP CC[NH2+]CCN[C@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423243399 563359694 /nfs/dbraw/zinc/35/96/94/563359694.db2.gz KHNAJBVYUQGDHN-HNNXBMFYSA-N 2 2 398.292 2.796 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423377635 563360495 /nfs/dbraw/zinc/36/04/95/563360495.db2.gz VWLMGFQRTDQQJU-FZMZJTMJSA-N 2 2 384.265 2.534 20 0 GFADLP Cc1sc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000424660872 563386141 /nfs/dbraw/zinc/38/61/41/563386141.db2.gz VACXEMIDJDVVEZ-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1sc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000424660872 563386144 /nfs/dbraw/zinc/38/61/44/563386144.db2.gz VACXEMIDJDVVEZ-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1c1ccc(Br)cc1 ZINC000425520378 563426189 /nfs/dbraw/zinc/42/61/89/563426189.db2.gz QYMVXEZNNSPGFU-JKSUJKDBSA-N 2 2 378.270 2.534 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376326290 563438236 /nfs/dbraw/zinc/43/82/36/563438236.db2.gz YKQNDOWIJMIMDK-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376326290 563438238 /nfs/dbraw/zinc/43/82/38/563438238.db2.gz YKQNDOWIJMIMDK-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000430586930 563545833 /nfs/dbraw/zinc/54/58/33/563545833.db2.gz XQWXXLDLJLOWGD-AWEZNQCLSA-N 2 2 398.345 2.914 20 0 GFADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1c(F)cc(F)cc1Br ZINC000431025746 563552207 /nfs/dbraw/zinc/55/22/07/563552207.db2.gz BSHNTZXVAHWDPC-UHFFFAOYSA-N 2 2 388.256 2.741 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000435381279 563648757 /nfs/dbraw/zinc/64/87/57/563648757.db2.gz VXUCLNFTRGUUFR-CQSZACIVSA-N 2 2 399.329 2.741 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000435381279 563648762 /nfs/dbraw/zinc/64/87/62/563648762.db2.gz VXUCLNFTRGUUFR-CQSZACIVSA-N 2 2 399.329 2.741 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827817 563687997 /nfs/dbraw/zinc/68/79/97/563687997.db2.gz QCSMGDDVRYHMTK-RDTXWAMCSA-N 2 2 390.325 2.914 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827817 563688000 /nfs/dbraw/zinc/68/80/00/563688000.db2.gz QCSMGDDVRYHMTK-RDTXWAMCSA-N 2 2 390.325 2.914 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C34CCC[NH+]3CCC4)[nH+]c12 ZINC000290738851 563719873 /nfs/dbraw/zinc/71/98/73/563719873.db2.gz OSOXSMMCHFJUCJ-UHFFFAOYSA-N 2 2 391.313 2.692 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414968874 563755094 /nfs/dbraw/zinc/75/50/94/563755094.db2.gz DGKLYPFGRIZAHH-RDTXWAMCSA-N 2 2 392.341 2.863 20 0 GFADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060708 563771976 /nfs/dbraw/zinc/77/19/76/563771976.db2.gz COAHSDQCGUUISB-FUHWJXTLSA-N 2 2 378.314 2.582 20 0 GFADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060708 563771977 /nfs/dbraw/zinc/77/19/77/563771977.db2.gz COAHSDQCGUUISB-FUHWJXTLSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060708 563771981 /nfs/dbraw/zinc/77/19/81/563771981.db2.gz COAHSDQCGUUISB-FUHWJXTLSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060708 563771984 /nfs/dbraw/zinc/77/19/84/563771984.db2.gz COAHSDQCGUUISB-FUHWJXTLSA-N 2 2 378.314 2.582 20 0 GFADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443510677 563807264 /nfs/dbraw/zinc/80/72/64/563807264.db2.gz QQKLRSUJZDOJEF-ZDUSSCGKSA-N 2 2 395.320 2.996 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367445260 563844971 /nfs/dbraw/zinc/84/49/71/563844971.db2.gz QSAINHZUZNHMRP-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367445260 563844973 /nfs/dbraw/zinc/84/49/73/563844973.db2.gz QSAINHZUZNHMRP-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367623996 563850562 /nfs/dbraw/zinc/85/05/62/563850562.db2.gz SOLADSYASWANIB-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCOCC1 ZINC000446890272 563869764 /nfs/dbraw/zinc/86/97/64/563869764.db2.gz ISOROZKBEGLIJR-KRWDZBQOSA-N 2 2 396.329 2.979 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)CCCC[NH3+])[nH+]c12 ZINC000418019131 563895612 /nfs/dbraw/zinc/89/56/12/563895612.db2.gz KFXLPOYCUDGUOY-LBPRGKRZSA-N 2 2 382.306 2.722 20 0 GFADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418023224 563896063 /nfs/dbraw/zinc/89/60/63/563896063.db2.gz LUAFOXCXHFXEAX-ZDUSSCGKSA-N 2 2 394.317 2.546 20 0 GFADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942682 564181051 /nfs/dbraw/zinc/18/10/51/564181051.db2.gz AWVGLLFHYMIYCD-DZGCQCFKSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942682 564181057 /nfs/dbraw/zinc/18/10/57/564181057.db2.gz AWVGLLFHYMIYCD-DZGCQCFKSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000449600613 564190962 /nfs/dbraw/zinc/19/09/62/564190962.db2.gz OTAKLDYCHQAOBV-DVOMOZLQSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C[N@H+]1C1CC1 ZINC000449600613 564190964 /nfs/dbraw/zinc/19/09/64/564190964.db2.gz OTAKLDYCHQAOBV-DVOMOZLQSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763138 564200740 /nfs/dbraw/zinc/20/07/40/564200740.db2.gz IJSKTRLGHLXEKR-YJBOKZPZSA-N 2 2 394.357 2.791 20 0 GFADLP C[C@@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763138 564200743 /nfs/dbraw/zinc/20/07/43/564200743.db2.gz IJSKTRLGHLXEKR-YJBOKZPZSA-N 2 2 394.357 2.791 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201452 564213089 /nfs/dbraw/zinc/21/30/89/564213089.db2.gz BHCCVYTVHUSMKG-DLBZAZTESA-N 2 2 380.330 2.830 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201452 564213091 /nfs/dbraw/zinc/21/30/91/564213091.db2.gz BHCCVYTVHUSMKG-DLBZAZTESA-N 2 2 380.330 2.830 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564435 564239513 /nfs/dbraw/zinc/23/95/13/564239513.db2.gz PAOKGRSKRNJGCC-GDBMZVCRSA-N 2 2 394.313 2.861 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164655 564240927 /nfs/dbraw/zinc/24/09/27/564240927.db2.gz VZYDHQUOTMURNW-KBXCAEBGSA-N 2 2 394.357 2.858 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164655 564240930 /nfs/dbraw/zinc/24/09/30/564240930.db2.gz VZYDHQUOTMURNW-KBXCAEBGSA-N 2 2 394.357 2.858 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000565887374 564300596 /nfs/dbraw/zinc/30/05/96/564300596.db2.gz MRQIHFDYBXYXDG-LALPHHSUSA-N 2 2 391.737 2.662 20 0 GFADLP Cn1cc(Br)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088699 564308271 /nfs/dbraw/zinc/30/82/71/564308271.db2.gz ZCVLTZDCRUWJRG-YOEHRIQHSA-N 2 2 377.286 2.528 20 0 GFADLP Cn1cc(Br)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088698 564308664 /nfs/dbraw/zinc/30/86/64/564308664.db2.gz ZCVLTZDCRUWJRG-WMLDXEAASA-N 2 2 377.286 2.528 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000566122543 564310873 /nfs/dbraw/zinc/31/08/73/564310873.db2.gz NLHUPIXHBSCHEL-CNEIMFAQSA-N 2 2 383.330 2.522 20 0 GFADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064665 564324707 /nfs/dbraw/zinc/32/47/07/564324707.db2.gz LOCYPLZVGOZCPU-QZTJIDSGSA-N 2 2 385.599 2.706 20 0 GFADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064665 564324710 /nfs/dbraw/zinc/32/47/10/564324710.db2.gz LOCYPLZVGOZCPU-QZTJIDSGSA-N 2 2 385.599 2.706 20 0 GFADLP O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451958886 564372316 /nfs/dbraw/zinc/37/23/16/564372316.db2.gz AHBKEQJIKZBFQP-LJQANCHMSA-N 2 2 379.595 2.611 20 0 GFADLP O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451958886 564372321 /nfs/dbraw/zinc/37/23/21/564372321.db2.gz AHBKEQJIKZBFQP-LJQANCHMSA-N 2 2 379.595 2.611 20 0 GFADLP CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000511943623 564386062 /nfs/dbraw/zinc/38/60/62/564386062.db2.gz UJLVFCDQDDOTAE-QAPCUYQASA-N 2 2 378.929 2.920 20 0 GFADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166776 564411060 /nfs/dbraw/zinc/41/10/60/564411060.db2.gz DUFCGPTXXXEKNP-INIZCTEOSA-N 2 2 382.327 2.729 20 0 GFADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166776 564411065 /nfs/dbraw/zinc/41/10/65/564411065.db2.gz DUFCGPTXXXEKNP-INIZCTEOSA-N 2 2 382.327 2.729 20 0 GFADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000513468823 564430107 /nfs/dbraw/zinc/43/01/07/564430107.db2.gz KQUVRODACQPBAZ-UHFFFAOYSA-N 2 2 378.460 2.987 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+](Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000513880806 564441010 /nfs/dbraw/zinc/44/10/10/564441010.db2.gz DSEOKUQXZZUAFM-UHFFFAOYSA-N 2 2 398.320 2.717 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2cc(Br)ccc2F)C2CC2)CC1 ZINC000513880806 564441012 /nfs/dbraw/zinc/44/10/12/564441012.db2.gz DSEOKUQXZZUAFM-UHFFFAOYSA-N 2 2 398.320 2.717 20 0 GFADLP Brc1cccc(-c2noc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000571235826 564542056 /nfs/dbraw/zinc/54/20/56/564542056.db2.gz OWOJIIOCVKMOFG-UHFFFAOYSA-N 2 2 389.257 2.544 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921294 564572418 /nfs/dbraw/zinc/57/24/18/564572418.db2.gz KJIYVDFBVMTVGB-KSSFIOAISA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921294 564572423 /nfs/dbraw/zinc/57/24/23/564572423.db2.gz KJIYVDFBVMTVGB-KSSFIOAISA-N 2 2 380.330 2.702 20 0 GFADLP CCC[NH+]1CCC(NC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455868852 564577717 /nfs/dbraw/zinc/57/77/17/564577717.db2.gz QPQQJQJTGISMCU-UHFFFAOYSA-N 2 2 384.322 2.906 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491380 564628522 /nfs/dbraw/zinc/62/85/22/564628522.db2.gz QXGQIHQNZNEYDP-GUTXKFCHSA-N 2 2 383.945 2.552 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491380 564628529 /nfs/dbraw/zinc/62/85/29/564628529.db2.gz QXGQIHQNZNEYDP-GUTXKFCHSA-N 2 2 383.945 2.552 20 0 GFADLP [NH3+]CCCOC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000573445083 564638494 /nfs/dbraw/zinc/63/84/94/564638494.db2.gz OUXSGLPQVQYIHA-KRWDZBQOSA-N 2 2 386.323 2.929 20 0 GFADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905007 564669652 /nfs/dbraw/zinc/66/96/52/564669652.db2.gz BGOVRLMIUIVXMT-GDBMZVCRSA-N 2 2 384.351 2.878 20 0 GFADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905007 564669654 /nfs/dbraw/zinc/66/96/54/564669654.db2.gz BGOVRLMIUIVXMT-GDBMZVCRSA-N 2 2 384.351 2.878 20 0 GFADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905011 564669665 /nfs/dbraw/zinc/66/96/65/564669665.db2.gz BGOVRLMIUIVXMT-HOCLYGCPSA-N 2 2 384.351 2.878 20 0 GFADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905011 564669670 /nfs/dbraw/zinc/66/96/70/564669670.db2.gz BGOVRLMIUIVXMT-HOCLYGCPSA-N 2 2 384.351 2.878 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000489314244 564735351 /nfs/dbraw/zinc/73/53/51/564735351.db2.gz AWKAYWYAUNHORW-UKRRQHHQSA-N 2 2 394.317 2.769 20 0 GFADLP CCn1cc[nH+]c1[C@@H](NCC[NH+](C)C)c1ccc(I)cc1 ZINC000554095611 564750514 /nfs/dbraw/zinc/75/05/14/564750514.db2.gz RIDNZBLXQRKXJJ-HNNXBMFYSA-N 2 2 398.292 2.748 20 0 GFADLP C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000527666894 564753957 /nfs/dbraw/zinc/75/39/57/564753957.db2.gz XCYOFZYPHYANJA-LBPRGKRZSA-N 2 2 399.358 2.959 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000527694105 564756644 /nfs/dbraw/zinc/75/66/44/564756644.db2.gz UWUJGGDHNFWXIO-AWEZNQCLSA-N 2 2 392.135 2.676 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000527694105 564756645 /nfs/dbraw/zinc/75/66/45/564756645.db2.gz UWUJGGDHNFWXIO-AWEZNQCLSA-N 2 2 392.135 2.676 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494244829 564819649 /nfs/dbraw/zinc/81/96/49/564819649.db2.gz LZWDUSPUJOYSGJ-ZDUSSCGKSA-N 2 2 386.309 2.573 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494244829 564819652 /nfs/dbraw/zinc/81/96/52/564819652.db2.gz LZWDUSPUJOYSGJ-ZDUSSCGKSA-N 2 2 386.309 2.573 20 0 GFADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000462354913 564835248 /nfs/dbraw/zinc/83/52/48/564835248.db2.gz GKQUHBSDZHSWCF-QGZVFWFLSA-N 2 2 380.330 2.937 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@H](C)n3cc[nH+]c3)[nH+]c12 ZINC000582731222 564860070 /nfs/dbraw/zinc/86/00/70/564860070.db2.gz WQUZZVWCNAVZIE-ZDUSSCGKSA-N 2 2 390.285 2.912 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465509 564882914 /nfs/dbraw/zinc/88/29/14/564882914.db2.gz UTWXWAXGRGDLCP-VHSXEESVSA-N 2 2 389.308 2.503 20 0 GFADLP COc1ccc(Br)cc1C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000583631560 564900538 /nfs/dbraw/zinc/90/05/38/564900538.db2.gz HXKKPSUOIDPNMG-ROUUACIJSA-N 2 2 393.325 2.820 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000583631560 564900540 /nfs/dbraw/zinc/90/05/40/564900540.db2.gz HXKKPSUOIDPNMG-ROUUACIJSA-N 2 2 393.325 2.820 20 0 GFADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000465733996 564931343 /nfs/dbraw/zinc/93/13/43/564931343.db2.gz ZEFWYSOVCHUBHR-DOMZBBRYSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000465733996 564931348 /nfs/dbraw/zinc/93/13/48/564931348.db2.gz ZEFWYSOVCHUBHR-DOMZBBRYSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)S1 ZINC000532969570 564951238 /nfs/dbraw/zinc/95/12/38/564951238.db2.gz GAIAOGDEMMJMTI-IYBDPMFKSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)S1 ZINC000532969570 564951242 /nfs/dbraw/zinc/95/12/42/564951242.db2.gz GAIAOGDEMMJMTI-IYBDPMFKSA-N 2 2 379.595 3.000 20 0 GFADLP O=c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccc(Br)cn12 ZINC000533389719 564961509 /nfs/dbraw/zinc/96/15/09/564961509.db2.gz OQWCOIIHUVHPOC-LBPRGKRZSA-N 2 2 388.269 2.560 20 0 GFADLP O=c1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccc(Br)cn12 ZINC000533389719 564961513 /nfs/dbraw/zinc/96/15/13/564961513.db2.gz OQWCOIIHUVHPOC-LBPRGKRZSA-N 2 2 388.269 2.560 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312533 565010439 /nfs/dbraw/zinc/01/04/39/565010439.db2.gz GQYXUULAUUPDLN-LBPRGKRZSA-N 2 2 378.270 2.943 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312533 565010441 /nfs/dbraw/zinc/01/04/41/565010441.db2.gz GQYXUULAUUPDLN-LBPRGKRZSA-N 2 2 378.270 2.943 20 0 GFADLP C[C@H]1C[NH+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000561897518 565012026 /nfs/dbraw/zinc/01/20/26/565012026.db2.gz ZNRAKELFRBSZEQ-GJZGRUSLSA-N 2 2 398.345 2.867 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175082 565031265 /nfs/dbraw/zinc/03/12/65/565031265.db2.gz CACZAAUYOUVGFE-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175082 565031270 /nfs/dbraw/zinc/03/12/70/565031270.db2.gz CACZAAUYOUVGFE-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cccc(Br)c1 ZINC000562987304 565050648 /nfs/dbraw/zinc/05/06/48/565050648.db2.gz GCRJZUNWMXRRKA-MRXNPFEDSA-N 2 2 394.313 2.554 20 0 GFADLP OC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1cc(Br)ccc1F ZINC000657484750 565103249 /nfs/dbraw/zinc/10/32/49/565103249.db2.gz UFNGJJFNZIIQJQ-GFCCVEGCSA-N 2 2 382.277 2.672 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(Br)ccc1F ZINC000638987165 565219863 /nfs/dbraw/zinc/21/98/63/565219863.db2.gz MVXZYPYDWAWTDD-UHFFFAOYSA-N 2 2 379.233 2.645 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000617763352 565256942 /nfs/dbraw/zinc/25/69/42/565256942.db2.gz OHHBXJYDUNJDDQ-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(Br)cc1F ZINC000617763352 565256947 /nfs/dbraw/zinc/25/69/47/565256947.db2.gz OHHBXJYDUNJDDQ-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000662492459 565372553 /nfs/dbraw/zinc/37/25/53/565372553.db2.gz LEVGSWVKPIOECA-UHFFFAOYSA-N 2 2 381.299 2.857 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000662492459 565372558 /nfs/dbraw/zinc/37/25/58/565372558.db2.gz LEVGSWVKPIOECA-UHFFFAOYSA-N 2 2 381.299 2.857 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662718035 565383417 /nfs/dbraw/zinc/38/34/17/565383417.db2.gz IFJTXUQCDBOZEV-INIZCTEOSA-N 2 2 380.330 2.926 20 0 GFADLP FC(F)(F)c1sccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787667 565400053 /nfs/dbraw/zinc/40/00/53/565400053.db2.gz XKNULIYXOUVHCW-OAHLLOKOSA-N 2 2 377.476 2.653 20 0 GFADLP OC1CC[NH+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000663402961 565418251 /nfs/dbraw/zinc/41/82/51/565418251.db2.gz OZNCKVLWZDTLOT-UHFFFAOYSA-N 2 2 382.277 2.817 20 0 GFADLP CN(c1nc(C2CC2)ncc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000663593130 565428047 /nfs/dbraw/zinc/42/80/47/565428047.db2.gz NNORGKOYUKKCKA-HNNXBMFYSA-N 2 2 394.361 2.721 20 0 GFADLP CN(c1nc(C2CC2)ncc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000663593130 565428052 /nfs/dbraw/zinc/42/80/52/565428052.db2.gz NNORGKOYUKKCKA-HNNXBMFYSA-N 2 2 394.361 2.721 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548339 565435673 /nfs/dbraw/zinc/43/56/73/565435673.db2.gz OAXHPWRLCWVUQX-MNOVXSKESA-N 2 2 392.352 2.966 20 0 GFADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548108 565481653 /nfs/dbraw/zinc/48/16/53/565481653.db2.gz PBOCOLFXTBAPPS-CHWSQXEVSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548108 565481659 /nfs/dbraw/zinc/48/16/59/565481659.db2.gz PBOCOLFXTBAPPS-CHWSQXEVSA-N 2 2 377.710 2.526 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Br ZINC000623471029 565513704 /nfs/dbraw/zinc/51/37/04/565513704.db2.gz LRMOZBRWQLZYDG-AWEZNQCLSA-N 2 2 394.151 2.922 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596101323 565513866 /nfs/dbraw/zinc/51/38/66/565513866.db2.gz FRPZATYOMPERDA-UHFFFAOYSA-N 2 2 397.313 2.541 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@H](C[NH3+])C1 ZINC000667272943 565580481 /nfs/dbraw/zinc/58/04/81/565580481.db2.gz WRYGPCQOOJQDAT-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@H](C[NH3+])C1 ZINC000667272943 565580485 /nfs/dbraw/zinc/58/04/85/565580485.db2.gz WRYGPCQOOJQDAT-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214258 565590336 /nfs/dbraw/zinc/59/03/36/565590336.db2.gz QDGAZJRFXQSPMT-KBPBESRZSA-N 2 2 387.355 2.989 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647174475 565642847 /nfs/dbraw/zinc/64/28/47/565642847.db2.gz BZQAFZOCCFYPNO-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP COc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777462 565749546 /nfs/dbraw/zinc/74/95/46/565749546.db2.gz UKYWHRNTPCXLJZ-CMPLNLGQSA-N 2 2 390.265 2.539 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300531 565761074 /nfs/dbraw/zinc/76/10/74/565761074.db2.gz OPBLMMNSPNSWAB-LSDHHAIUSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300531 565761077 /nfs/dbraw/zinc/76/10/77/565761077.db2.gz OPBLMMNSPNSWAB-LSDHHAIUSA-N 2 2 376.444 2.825 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628277965 565781797 /nfs/dbraw/zinc/78/17/97/565781797.db2.gz RKGQMENVJGWNJR-UHFFFAOYSA-N 2 2 375.460 2.753 20 0 GFADLP [NH3+]C1(CNC2CC[NH+](Cc3ccccc3Br)CC2)CCOCC1 ZINC000629389621 565849018 /nfs/dbraw/zinc/84/90/18/565849018.db2.gz PBOOFOSWXVYJIC-UHFFFAOYSA-N 2 2 382.346 2.511 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566603 565859623 /nfs/dbraw/zinc/85/96/23/565859623.db2.gz MYXPQTAGRSIIFS-SCRDCRAPSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566603 565859626 /nfs/dbraw/zinc/85/96/26/565859626.db2.gz MYXPQTAGRSIIFS-SCRDCRAPSA-N 2 2 377.838 2.976 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079162 565954418 /nfs/dbraw/zinc/95/44/18/565954418.db2.gz VELALAPEOSWKLM-MSOLQXFVSA-N 2 2 390.325 2.934 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000653346841 565964645 /nfs/dbraw/zinc/96/46/45/565964645.db2.gz JBDSYBOSEFBRFC-NSHDSACASA-N 2 2 383.315 2.790 20 0 GFADLP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)[C@H]21 ZINC000631663978 565966331 /nfs/dbraw/zinc/96/63/31/565966331.db2.gz ITBKDPKYRBVPIW-IVJVFBROSA-N 2 2 377.326 2.930 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)[nH+]cc1Br ZINC000653653629 565976412 /nfs/dbraw/zinc/97/64/12/565976412.db2.gz ZMZUFYBGLPEXHC-LBPRGKRZSA-N 2 2 382.306 2.516 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)[nH+]cc1Br ZINC000653653629 565976415 /nfs/dbraw/zinc/97/64/15/565976415.db2.gz ZMZUFYBGLPEXHC-LBPRGKRZSA-N 2 2 382.306 2.516 20 0 GFADLP Brc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655710589 566084550 /nfs/dbraw/zinc/08/45/50/566084550.db2.gz AHWIMCMYOIQSKI-SJORKVTESA-N 2 2 394.357 2.871 20 0 GFADLP Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1Cl ZINC000656181967 566111478 /nfs/dbraw/zinc/11/14/78/566111478.db2.gz KRZWDEYXCDEHDH-UHFFFAOYSA-N 2 2 380.901 2.596 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771278 566213340 /nfs/dbraw/zinc/21/33/40/566213340.db2.gz DMHFCQIRFUYCRX-XJKSGUPXSA-N 2 2 378.318 2.578 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771278 566213341 /nfs/dbraw/zinc/21/33/41/566213341.db2.gz DMHFCQIRFUYCRX-XJKSGUPXSA-N 2 2 378.318 2.578 20 0 GFADLP O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000833773835 605223939 /nfs/dbraw/zinc/22/39/39/605223939.db2.gz SZEYCMIAQHRGFV-KRWDZBQOSA-N 2 2 379.570 2.879 20 0 GFADLP O=C([O-])CCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000833773835 605223943 /nfs/dbraw/zinc/22/39/43/605223943.db2.gz SZEYCMIAQHRGFV-KRWDZBQOSA-N 2 2 379.570 2.879 20 0 GFADLP CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1C ZINC000825465816 607821994 /nfs/dbraw/zinc/82/19/94/607821994.db2.gz RIGNSAYUBIOFCE-LLVKDONJSA-N 2 2 389.410 2.547 20 0 GFADLP CC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@H]1C ZINC000825465816 607821995 /nfs/dbraw/zinc/82/19/95/607821995.db2.gz RIGNSAYUBIOFCE-LLVKDONJSA-N 2 2 389.410 2.547 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000826521125 608697219 /nfs/dbraw/zinc/69/72/19/608697219.db2.gz AEZPDHJBIOZTCY-NRFANRHFSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000826521125 608697221 /nfs/dbraw/zinc/69/72/21/608697221.db2.gz AEZPDHJBIOZTCY-NRFANRHFSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000826521125 608697223 /nfs/dbraw/zinc/69/72/23/608697223.db2.gz AEZPDHJBIOZTCY-NRFANRHFSA-N 2 2 378.480 2.948 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000826521125 608697225 /nfs/dbraw/zinc/69/72/25/608697225.db2.gz AEZPDHJBIOZTCY-NRFANRHFSA-N 2 2 378.480 2.948 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC000826331100 609328786 /nfs/dbraw/zinc/32/87/86/609328786.db2.gz UXOQEUOWEOEQAE-GFCCVEGCSA-N 2 2 378.415 2.746 20 0 GFADLP C[C@@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@@H](C)O1 ZINC000273480503 655145005 /nfs/dbraw/zinc/14/50/05/655145005.db2.gz SNQCUQSLYGKDIF-HUUCEWRRSA-N 2 2 388.961 2.723 20 0 GFADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000265335240 655481610 /nfs/dbraw/zinc/48/16/10/655481610.db2.gz HKPYDZKYUXXBRH-UHFFFAOYSA-N 2 2 377.286 2.620 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579592450 655501851 /nfs/dbraw/zinc/50/18/51/655501851.db2.gz UKZFTAQOLSGHJV-CABCVRRESA-N 2 2 375.314 2.985 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000579592450 655501852 /nfs/dbraw/zinc/50/18/52/655501852.db2.gz UKZFTAQOLSGHJV-CABCVRRESA-N 2 2 375.314 2.985 20 0 GFADLP CC(C)[C@H](C[NH2+][C@H](C)c1nc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000788520645 657736840 /nfs/dbraw/zinc/73/68/40/657736840.db2.gz SQBVKDQGAQIORC-HIFRSBDPSA-N 2 2 387.341 2.906 20 0 GFADLP BrC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898617 661569752 /nfs/dbraw/zinc/56/97/52/661569752.db2.gz ISOBVMATAGTBJP-GOSISDBHSA-N 2 2 378.358 2.806 20 0 GFADLP BrC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898617 661569760 /nfs/dbraw/zinc/56/97/60/661569760.db2.gz ISOBVMATAGTBJP-GOSISDBHSA-N 2 2 378.358 2.806 20 0 GFADLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000880468933 662960566 /nfs/dbraw/zinc/96/05/66/662960566.db2.gz DRDGUUVTNJVFLO-INIZCTEOSA-N 2 2 383.330 2.749 20 0 GFADLP Oc1cc(Br)cnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892130291 663362722 /nfs/dbraw/zinc/36/27/22/663362722.db2.gz IWPWYSHHUXTDCK-UHFFFAOYSA-N 2 2 384.318 2.627 20 0 GFADLP CC[NH+](CC)CC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000893940962 663432545 /nfs/dbraw/zinc/43/25/45/663432545.db2.gz UHYCFWWUOJALMD-UHFFFAOYSA-N 2 2 390.313 2.579 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806340 663767814 /nfs/dbraw/zinc/76/78/14/663767814.db2.gz KGELSEZVPTXYRR-ZIAGYGMSSA-N 2 2 377.476 2.824 20 0 GFADLP Cc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1Br ZINC000903751228 663805940 /nfs/dbraw/zinc/80/59/40/663805940.db2.gz GGANUNZTIOTRQJ-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCc4sc(C[NH3+])nc4C3)c[nH+]c12 ZINC000903942851 663813014 /nfs/dbraw/zinc/81/30/14/663813014.db2.gz WJUVHRVVMCMYHT-UHFFFAOYSA-N 2 2 392.326 2.879 20 0 GFADLP COC(=O)c1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000923369579 664629067 /nfs/dbraw/zinc/62/90/67/664629067.db2.gz LBQQLJVDHQHGMK-OAHLLOKOSA-N 2 2 385.302 2.722 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CCC3(COC3)O2)o1 ZINC000930447240 664770671 /nfs/dbraw/zinc/77/06/71/664770671.db2.gz WWZPRQNACNEWSR-HNNXBMFYSA-N 2 2 396.285 2.689 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CCC3(COC3)O2)o1 ZINC000930447240 664770673 /nfs/dbraw/zinc/77/06/73/664770673.db2.gz WWZPRQNACNEWSR-HNNXBMFYSA-N 2 2 396.285 2.689 20 0 GFADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906962 721551625 /nfs/dbraw/zinc/55/16/25/721551625.db2.gz LLCCYTGWQPMLQO-AZUAARDMSA-N 2 2 397.498 2.948 20 0 GFADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164906962 721551628 /nfs/dbraw/zinc/55/16/28/721551628.db2.gz LLCCYTGWQPMLQO-AZUAARDMSA-N 2 2 397.498 2.948 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163720931 551621817 /nfs/dbraw/zinc/62/18/17/551621817.db2.gz IMHUUOQFZFHNHR-HNNXBMFYSA-N 2 2 393.329 2.656 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168953999 551634770 /nfs/dbraw/zinc/63/47/70/551634770.db2.gz YEHWBCNCNDMCMT-SFHVURJKSA-N 2 2 383.989 2.857 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2ccc(Br)cc2)CC1 ZINC000177153957 552150721 /nfs/dbraw/zinc/15/07/21/552150721.db2.gz YMVVKICXVKLTLB-UHFFFAOYSA-N 2 2 382.346 2.524 20 0 GFADLP CN(Cc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179290642 552189070 /nfs/dbraw/zinc/18/90/70/552189070.db2.gz AVFLUWNSSWJQTH-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938097 553099502 /nfs/dbraw/zinc/09/95/02/553099502.db2.gz ZVYXLWRLXMMHAF-CXAGYDPISA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938097 553099504 /nfs/dbraw/zinc/09/95/04/553099504.db2.gz ZVYXLWRLXMMHAF-CXAGYDPISA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938103 553099623 /nfs/dbraw/zinc/09/96/23/553099623.db2.gz ZVYXLWRLXMMHAF-SUMWQHHRSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938103 553099624 /nfs/dbraw/zinc/09/96/24/553099624.db2.gz ZVYXLWRLXMMHAF-SUMWQHHRSA-N 2 2 391.313 2.664 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000261946438 553163323 /nfs/dbraw/zinc/16/33/23/553163323.db2.gz FJFQWHDWQYEXGG-ZDUSSCGKSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000261946438 553163325 /nfs/dbraw/zinc/16/33/25/553163325.db2.gz FJFQWHDWQYEXGG-ZDUSSCGKSA-N 2 2 388.737 2.922 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262029291 553164865 /nfs/dbraw/zinc/16/48/65/553164865.db2.gz WXRZGZAUUVWOOX-HNNXBMFYSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262029291 553164866 /nfs/dbraw/zinc/16/48/66/553164866.db2.gz WXRZGZAUUVWOOX-HNNXBMFYSA-N 2 2 375.822 2.755 20 0 GFADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474936855 564294663 /nfs/dbraw/zinc/29/46/63/564294663.db2.gz YHSRHJAUVOAWNJ-AWEZNQCLSA-N 2 2 390.309 2.516 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474936855 564294668 /nfs/dbraw/zinc/29/46/68/564294668.db2.gz YHSRHJAUVOAWNJ-AWEZNQCLSA-N 2 2 390.309 2.516 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331478 563273413 /nfs/dbraw/zinc/27/34/13/563273413.db2.gz IEMABCAUSHKGJD-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331478 563273416 /nfs/dbraw/zinc/27/34/16/563273416.db2.gz IEMABCAUSHKGJD-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP C[C@H]1C[N@H+](CCOc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371366417 563275199 /nfs/dbraw/zinc/27/51/99/563275199.db2.gz LTMYJXFJUQFIOD-FUHWJXTLSA-N 2 2 396.373 2.786 20 0 GFADLP C[C@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371366417 563275203 /nfs/dbraw/zinc/27/52/03/563275203.db2.gz LTMYJXFJUQFIOD-FUHWJXTLSA-N 2 2 396.373 2.786 20 0 GFADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280185195 563326124 /nfs/dbraw/zinc/32/61/24/563326124.db2.gz COZIJWVCBFRTEX-QGZVFWFLSA-N 2 2 385.961 2.916 20 0 GFADLP [NH3+]C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512524 563362206 /nfs/dbraw/zinc/36/22/06/563362206.db2.gz UVGOUDKTXFFLKU-LSDHHAIUSA-N 2 2 387.343 2.775 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000374804534 563382783 /nfs/dbraw/zinc/38/27/83/563382783.db2.gz ZYHHGJZELMIOAG-UHFFFAOYSA-N 2 2 379.551 2.531 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000378266771 563500278 /nfs/dbraw/zinc/50/02/78/563500278.db2.gz BQUDGYBDCRWLCS-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000378266771 563500279 /nfs/dbraw/zinc/50/02/79/563500279.db2.gz BQUDGYBDCRWLCS-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389852 563531760 /nfs/dbraw/zinc/53/17/60/563531760.db2.gz XGOSTEHBBPVNRX-MGPQQGTHSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389852 563531763 /nfs/dbraw/zinc/53/17/63/563531763.db2.gz XGOSTEHBBPVNRX-MGPQQGTHSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430959179 563550924 /nfs/dbraw/zinc/55/09/24/563550924.db2.gz WWUWKMLFSANEEJ-CYBMUJFWSA-N 2 2 379.551 2.773 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)[nH+]cc1Br ZINC000333255796 563626020 /nfs/dbraw/zinc/62/60/20/563626020.db2.gz DEGOPJCPLDKXFU-UHFFFAOYSA-N 2 2 382.306 2.518 20 0 GFADLP O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411873151 563639172 /nfs/dbraw/zinc/63/91/72/563639172.db2.gz XLBUSMSLUCAJPP-UHFFFAOYSA-N 2 2 379.595 2.754 20 0 GFADLP O=C(C[N@H+]1CCSC2(CCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411873151 563639176 /nfs/dbraw/zinc/63/91/76/563639176.db2.gz XLBUSMSLUCAJPP-UHFFFAOYSA-N 2 2 379.595 2.754 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115877 563719354 /nfs/dbraw/zinc/71/93/54/563719354.db2.gz PWDJCVSTLVBQNL-WMLDXEAASA-N 2 2 382.346 2.853 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000414115877 563719355 /nfs/dbraw/zinc/71/93/55/563719355.db2.gz PWDJCVSTLVBQNL-WMLDXEAASA-N 2 2 382.346 2.853 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2Br)nn1 ZINC000291584146 563748817 /nfs/dbraw/zinc/74/88/17/563748817.db2.gz PEAJERMXNBLTGB-UHFFFAOYSA-N 2 2 375.274 2.748 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2Br)nn1 ZINC000291584146 563748821 /nfs/dbraw/zinc/74/88/21/563748821.db2.gz PEAJERMXNBLTGB-UHFFFAOYSA-N 2 2 375.274 2.748 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142370 563761397 /nfs/dbraw/zinc/76/13/97/563761397.db2.gz RHODCARICUSXPC-CVEARBPZSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142370 563761399 /nfs/dbraw/zinc/76/13/99/563761399.db2.gz RHODCARICUSXPC-CVEARBPZSA-N 2 2 383.323 2.714 20 0 GFADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060706 563772075 /nfs/dbraw/zinc/77/20/75/563772075.db2.gz COAHSDQCGUUISB-AEFFLSMTSA-N 2 2 378.314 2.582 20 0 GFADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060706 563772077 /nfs/dbraw/zinc/77/20/77/563772077.db2.gz COAHSDQCGUUISB-AEFFLSMTSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060706 563772081 /nfs/dbraw/zinc/77/20/81/563772081.db2.gz COAHSDQCGUUISB-AEFFLSMTSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060706 563772083 /nfs/dbraw/zinc/77/20/83/563772083.db2.gz COAHSDQCGUUISB-AEFFLSMTSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367690038 563852265 /nfs/dbraw/zinc/85/22/65/563852265.db2.gz SZGXEXFWGNDIMK-LBPRGKRZSA-N 2 2 391.322 2.911 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367690038 563852266 /nfs/dbraw/zinc/85/22/66/563852266.db2.gz SZGXEXFWGNDIMK-LBPRGKRZSA-N 2 2 391.322 2.911 20 0 GFADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102565 563863917 /nfs/dbraw/zinc/86/39/17/563863917.db2.gz OUBOBVOVOQOWGP-GXTWGEPZSA-N 2 2 382.917 2.569 20 0 GFADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102565 563863920 /nfs/dbraw/zinc/86/39/20/563863920.db2.gz OUBOBVOVOQOWGP-GXTWGEPZSA-N 2 2 382.917 2.569 20 0 GFADLP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cn2cc[nH+]c2)CC1 ZINC000368182206 563865539 /nfs/dbraw/zinc/86/55/39/563865539.db2.gz XMWMGMXYYFMVSR-UHFFFAOYSA-N 2 2 391.313 2.769 20 0 GFADLP Cc1nn(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000448336482 563896317 /nfs/dbraw/zinc/89/63/17/563896317.db2.gz DTBBNZOPYXMLPP-UHFFFAOYSA-N 2 2 399.377 2.815 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384261 564183215 /nfs/dbraw/zinc/18/32/15/564183215.db2.gz APNAYLQEAQIYCM-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384261 564183218 /nfs/dbraw/zinc/18/32/18/564183218.db2.gz APNAYLQEAQIYCM-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP O=c1ccc(Br)cn1CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449381727 564183439 /nfs/dbraw/zinc/18/34/39/564183439.db2.gz ZJPQWNOEAKVOIG-SFHVURJKSA-N 2 2 390.325 2.865 20 0 GFADLP O=c1ccc(Br)cn1CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449381727 564183442 /nfs/dbraw/zinc/18/34/42/564183442.db2.gz ZJPQWNOEAKVOIG-SFHVURJKSA-N 2 2 390.325 2.865 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)c3cccnc3)c[nH+]c12 ZINC000564117128 564221342 /nfs/dbraw/zinc/22/13/42/564221342.db2.gz ZGZDZPYDAKHVKF-AWEZNQCLSA-N 2 2 375.270 2.666 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164657 564240564 /nfs/dbraw/zinc/24/05/64/564240564.db2.gz VZYDHQUOTMURNW-KDOFPFPSSA-N 2 2 394.357 2.858 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164657 564240567 /nfs/dbraw/zinc/24/05/67/564240567.db2.gz VZYDHQUOTMURNW-KDOFPFPSSA-N 2 2 394.357 2.858 20 0 GFADLP C[NH2+]CCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000564936664 564258416 /nfs/dbraw/zinc/25/84/16/564258416.db2.gz IDPHNGCUPMJIEG-UHFFFAOYSA-N 2 2 379.302 2.674 20 0 GFADLP CCS(=O)(=O)c1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000475213072 564303084 /nfs/dbraw/zinc/30/30/84/564303084.db2.gz VRDLLEJSIULQBZ-UHFFFAOYSA-N 2 2 376.507 2.721 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC)CC1 ZINC000545209075 564413981 /nfs/dbraw/zinc/41/39/81/564413981.db2.gz MIQRENSMKJJGCC-UHFFFAOYSA-N 2 2 399.329 2.965 20 0 GFADLP Brc1c[nH+]ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000545947378 564438169 /nfs/dbraw/zinc/43/81/69/564438169.db2.gz DTCNXVOTSHXBGK-UHFFFAOYSA-N 2 2 392.297 2.589 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CCOC(C)C)[nH+]c12 ZINC000569096845 564449172 /nfs/dbraw/zinc/44/91/72/564449172.db2.gz OXKICXBHPYXWJI-MRXNPFEDSA-N 2 2 384.318 2.713 20 0 GFADLP O=C1[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724104 564475757 /nfs/dbraw/zinc/47/57/57/564475757.db2.gz YIABIOGNMMTAIN-AEFFLSMTSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724104 564475762 /nfs/dbraw/zinc/47/57/62/564475762.db2.gz YIABIOGNMMTAIN-AEFFLSMTSA-N 2 2 378.314 2.630 20 0 GFADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1I ZINC000515864867 564488735 /nfs/dbraw/zinc/48/87/35/564488735.db2.gz PJVDMNVXXBWCLO-BBRMVZONSA-N 2 2 388.293 2.741 20 0 GFADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1I ZINC000515864867 564488738 /nfs/dbraw/zinc/48/87/38/564488738.db2.gz PJVDMNVXXBWCLO-BBRMVZONSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000515864867 564488740 /nfs/dbraw/zinc/48/87/40/564488740.db2.gz PJVDMNVXXBWCLO-BBRMVZONSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000515864867 564488744 /nfs/dbraw/zinc/48/87/44/564488744.db2.gz PJVDMNVXXBWCLO-BBRMVZONSA-N 2 2 388.293 2.741 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631582 564547298 /nfs/dbraw/zinc/54/72/98/564547298.db2.gz SMEBDRMHJYGKSD-RISCZKNCSA-N 2 2 375.847 2.932 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631582 564547303 /nfs/dbraw/zinc/54/73/03/564547303.db2.gz SMEBDRMHJYGKSD-RISCZKNCSA-N 2 2 375.847 2.932 20 0 GFADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963763 564566890 /nfs/dbraw/zinc/56/68/90/564566890.db2.gz OHRHMGGTZNJJSQ-OIISXLGYSA-N 2 2 387.293 2.544 20 0 GFADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963763 564566893 /nfs/dbraw/zinc/56/68/93/564566893.db2.gz OHRHMGGTZNJJSQ-OIISXLGYSA-N 2 2 387.293 2.544 20 0 GFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000521651190 564633043 /nfs/dbraw/zinc/63/30/43/564633043.db2.gz WBRSNOTXAXYHEB-CYBMUJFWSA-N 2 2 389.297 2.947 20 0 GFADLP Cc1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1Br ZINC000458577122 564706173 /nfs/dbraw/zinc/70/61/73/564706173.db2.gz CTDWHWXSLZHELJ-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583439628 564891251 /nfs/dbraw/zinc/89/12/51/564891251.db2.gz DCFLHVPCILNQOD-FGTMMUONSA-N 2 2 392.341 2.939 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000558100582 564892875 /nfs/dbraw/zinc/89/28/75/564892875.db2.gz MXTJGVMKNIHBGH-OAHLLOKOSA-N 2 2 396.377 2.791 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000533548597 564965843 /nfs/dbraw/zinc/96/58/43/564965843.db2.gz FSXJBLFJHLJPQR-CVEARBPZSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000533568940 564966788 /nfs/dbraw/zinc/96/67/88/564966788.db2.gz MSTDWAKWGQZNPW-WMLDXEAASA-N 2 2 391.313 2.987 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000563073943 565054891 /nfs/dbraw/zinc/05/48/91/565054891.db2.gz ZGBMUZYOZZZCMY-MRXNPFEDSA-N 2 2 380.330 2.926 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2csc(C(F)(F)F)c2)CC1 ZINC000636988521 565133771 /nfs/dbraw/zinc/13/37/71/565133771.db2.gz VYGOQEWGHMKFKQ-UHFFFAOYSA-N 2 2 378.464 2.592 20 0 GFADLP COCCC[NH+]1CCC([NH2+]Cc2snc(OC)c2Br)CC1 ZINC000638484155 565198341 /nfs/dbraw/zinc/19/83/41/565198341.db2.gz UNALCJSESZYBQV-UHFFFAOYSA-N 2 2 378.336 2.505 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000659626287 565221360 /nfs/dbraw/zinc/22/13/60/565221360.db2.gz AEKSVCHYTFABKP-NVXWUHKLSA-N 2 2 395.345 2.501 20 0 GFADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000659978304 565236562 /nfs/dbraw/zinc/23/65/62/565236562.db2.gz CJQYHUMHLSKDGM-INIZCTEOSA-N 2 2 386.334 2.785 20 0 GFADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000659978304 565236566 /nfs/dbraw/zinc/23/65/66/565236566.db2.gz CJQYHUMHLSKDGM-INIZCTEOSA-N 2 2 386.334 2.785 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2CCc3ncnn32)o1 ZINC000639639216 565253608 /nfs/dbraw/zinc/25/36/08/565253608.db2.gz SYNQZUWDBOUVIL-ZDUSSCGKSA-N 2 2 391.273 2.520 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2CCc3ncnn32)o1 ZINC000639639216 565253613 /nfs/dbraw/zinc/25/36/13/565253613.db2.gz SYNQZUWDBOUVIL-ZDUSSCGKSA-N 2 2 391.273 2.520 20 0 GFADLP CO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534731 565282021 /nfs/dbraw/zinc/28/20/21/565282021.db2.gz HSJNDLUDIUTCPT-GDBMZVCRSA-N 2 2 398.301 2.792 20 0 GFADLP CO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534731 565282023 /nfs/dbraw/zinc/28/20/23/565282023.db2.gz HSJNDLUDIUTCPT-GDBMZVCRSA-N 2 2 398.301 2.792 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742079 565357909 /nfs/dbraw/zinc/35/79/09/565357909.db2.gz NSPIUIWGSUCEEZ-DAYGRLMNSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742079 565357914 /nfs/dbraw/zinc/35/79/14/565357914.db2.gz NSPIUIWGSUCEEZ-DAYGRLMNSA-N 2 2 399.373 2.786 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291134 565359252 /nfs/dbraw/zinc/35/92/52/565359252.db2.gz BKSBJAUCVILDBY-NVXWUHKLSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296474 565359379 /nfs/dbraw/zinc/35/93/79/565359379.db2.gz KYJGEFYQYOOUMW-DOTOQJQBSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296474 565359384 /nfs/dbraw/zinc/35/93/84/565359384.db2.gz KYJGEFYQYOOUMW-DOTOQJQBSA-N 2 2 380.330 2.687 20 0 GFADLP COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Br)cn1 ZINC000621252780 565411648 /nfs/dbraw/zinc/41/16/48/565411648.db2.gz CWSABPIAQDNUMP-UHFFFAOYSA-N 2 2 398.345 2.787 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000664237811 565455811 /nfs/dbraw/zinc/45/58/11/565455811.db2.gz TVYWZFZQJPFGEA-CQSZACIVSA-N 2 2 389.327 2.610 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000664237811 565455813 /nfs/dbraw/zinc/45/58/13/565455813.db2.gz TVYWZFZQJPFGEA-CQSZACIVSA-N 2 2 389.327 2.610 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567917 565482745 /nfs/dbraw/zinc/48/27/45/565482745.db2.gz OFVFVGWBQRTISM-RVKKMQEKSA-N 2 2 397.357 2.540 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567917 565482752 /nfs/dbraw/zinc/48/27/52/565482752.db2.gz OFVFVGWBQRTISM-RVKKMQEKSA-N 2 2 397.357 2.540 20 0 GFADLP COc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1Br ZINC000644872444 565500270 /nfs/dbraw/zinc/50/02/70/565500270.db2.gz CMHBRNSAIROIAN-APPDUMDISA-N 2 2 380.286 2.559 20 0 GFADLP COc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1Br ZINC000644872444 565500275 /nfs/dbraw/zinc/50/02/75/565500275.db2.gz CMHBRNSAIROIAN-APPDUMDISA-N 2 2 380.286 2.559 20 0 GFADLP Cc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ncc1Br ZINC000623359448 565505648 /nfs/dbraw/zinc/50/56/48/565505648.db2.gz RBEHPLAMIJQODR-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623894813 565534047 /nfs/dbraw/zinc/53/40/47/565534047.db2.gz BRVWHIXBBYIIOA-FUHWJXTLSA-N 2 2 396.373 2.815 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(Br)c1F ZINC000667916705 565613030 /nfs/dbraw/zinc/61/30/30/565613030.db2.gz LRUPIMDCSMBBPN-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(Br)c1F ZINC000667916705 565613035 /nfs/dbraw/zinc/61/30/35/565613035.db2.gz LRUPIMDCSMBBPN-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[nH+]c12 ZINC000647794223 565677032 /nfs/dbraw/zinc/67/70/32/565677032.db2.gz VHEYYMAMZAWFMX-IJEWVQPXSA-N 3 2 377.330 2.925 20 0 GFADLP C[C@@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814686 565678032 /nfs/dbraw/zinc/67/80/32/565678032.db2.gz ZPRJBXAJGLJGLF-CYBMUJFWSA-N 2 2 380.330 2.843 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814686 565678035 /nfs/dbraw/zinc/67/80/35/565678035.db2.gz ZPRJBXAJGLJGLF-CYBMUJFWSA-N 2 2 380.330 2.843 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978659 565686105 /nfs/dbraw/zinc/68/61/05/565686105.db2.gz WIACTSNFXGXZLR-ZOBUZTSGSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978659 565686106 /nfs/dbraw/zinc/68/61/06/565686106.db2.gz WIACTSNFXGXZLR-ZOBUZTSGSA-N 2 2 380.330 2.687 20 0 GFADLP CN(C(=O)c1ccsc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934479 565740731 /nfs/dbraw/zinc/74/07/31/565740731.db2.gz FVDXCQVMFVTDPX-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1ccsc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934479 565740735 /nfs/dbraw/zinc/74/07/35/565740735.db2.gz FVDXCQVMFVTDPX-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568448 565858920 /nfs/dbraw/zinc/85/89/20/565858920.db2.gz SNRDAUFXIVHUQY-CORIIIEPSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568448 565858923 /nfs/dbraw/zinc/85/89/23/565858923.db2.gz SNRDAUFXIVHUQY-CORIIIEPSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585075 565860467 /nfs/dbraw/zinc/86/04/67/565860467.db2.gz ZWTFCDPMLZPGGW-DOPJRALCSA-N 2 2 380.330 2.558 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585075 565860470 /nfs/dbraw/zinc/86/04/70/565860470.db2.gz ZWTFCDPMLZPGGW-DOPJRALCSA-N 2 2 380.330 2.558 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184961 565924885 /nfs/dbraw/zinc/92/48/85/565924885.db2.gz MEJWJHCDAYQKQO-AWEZNQCLSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184961 565924889 /nfs/dbraw/zinc/92/48/89/565924889.db2.gz MEJWJHCDAYQKQO-AWEZNQCLSA-N 2 2 385.339 2.961 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477245 565940415 /nfs/dbraw/zinc/94/04/15/565940415.db2.gz FYBLGRPTEYNIFP-HZPDHXFCSA-N 2 2 380.286 2.722 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477245 565940421 /nfs/dbraw/zinc/94/04/21/565940421.db2.gz FYBLGRPTEYNIFP-HZPDHXFCSA-N 2 2 380.286 2.722 20 0 GFADLP Brc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655709402 566082733 /nfs/dbraw/zinc/08/27/33/566082733.db2.gz ZCBDCZQVQKEZTN-MJGOQNOKSA-N 2 2 394.357 2.871 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655725429 566083972 /nfs/dbraw/zinc/08/39/72/566083972.db2.gz TURUUGGKSLIBIK-MRXNPFEDSA-N 2 2 396.329 2.539 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970880 566089466 /nfs/dbraw/zinc/08/94/66/566089466.db2.gz TYLWZMKWMNLUAW-GOSISDBHSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970880 566089470 /nfs/dbraw/zinc/08/94/70/566089470.db2.gz TYLWZMKWMNLUAW-GOSISDBHSA-N 2 2 394.357 2.998 20 0 GFADLP CC(C)C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000684552965 566238053 /nfs/dbraw/zinc/23/80/53/566238053.db2.gz WNYGXEJUIBHQKI-KRWDZBQOSA-N 2 2 382.346 2.900 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860086 598562278 /nfs/dbraw/zinc/56/22/78/598562278.db2.gz LKUYIBHMBJIRTD-GOSISDBHSA-N 2 2 378.480 2.630 20 0 GFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860086 598562280 /nfs/dbraw/zinc/56/22/80/598562280.db2.gz LKUYIBHMBJIRTD-GOSISDBHSA-N 2 2 378.480 2.630 20 0 GFADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000822733251 606492574 /nfs/dbraw/zinc/49/25/74/606492574.db2.gz VIJNJCOBKUFVOV-UHFFFAOYSA-N 2 2 375.383 2.571 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278090 660898046 /nfs/dbraw/zinc/89/80/46/660898046.db2.gz IQRADXFOUQLJOL-KRWDZBQOSA-N 2 2 391.387 2.818 20 0 GFADLP C[N@H+]1CC=C(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000274817628 655203154 /nfs/dbraw/zinc/20/31/54/655203154.db2.gz GDESUKLOKLFFOJ-UHFFFAOYSA-N 2 2 375.108 2.958 20 0 GFADLP C[N@@H+]1CC=C(C[NH2+]Cc2ncc(Br)cc2Br)CC1 ZINC000274817628 655203156 /nfs/dbraw/zinc/20/31/56/655203156.db2.gz GDESUKLOKLFFOJ-UHFFFAOYSA-N 2 2 375.108 2.958 20 0 GFADLP O[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)C[NH+]1CCCC1 ZINC000574789505 655430795 /nfs/dbraw/zinc/43/07/95/655430795.db2.gz ONINJNIDASTADY-CQSZACIVSA-N 2 2 392.135 2.758 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000741875149 655708758 /nfs/dbraw/zinc/70/87/58/655708758.db2.gz MEULEWAFHGMMKK-OAHLLOKOSA-N 2 2 380.989 2.987 20 0 GFADLP O=c1c(Br)nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000755745015 655888220 /nfs/dbraw/zinc/88/82/20/655888220.db2.gz LLFYWBGBRIQRBT-CYBMUJFWSA-N 2 2 388.269 2.650 20 0 GFADLP O=c1c(Br)nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc12 ZINC000755745015 655888221 /nfs/dbraw/zinc/88/82/21/655888221.db2.gz LLFYWBGBRIQRBT-CYBMUJFWSA-N 2 2 388.269 2.650 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000844937865 661450076 /nfs/dbraw/zinc/45/00/76/661450076.db2.gz YTBBPUKUGUYXQW-AWEZNQCLSA-N 2 2 391.387 2.818 20 0 GFADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000846217529 661538491 /nfs/dbraw/zinc/53/84/91/661538491.db2.gz JKFXIQNOFHLZCP-UHFFFAOYSA-N 2 2 394.368 2.819 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@H](CCF)C1)CC[N@H+]1CCC[C@H](CCF)C1 ZINC000852533871 661866723 /nfs/dbraw/zinc/86/67/23/661866723.db2.gz YSRASUNFKKEOST-QZTJIDSGSA-N 2 2 380.545 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@H](CCF)C1)CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000852533871 661866725 /nfs/dbraw/zinc/86/67/25/661866725.db2.gz YSRASUNFKKEOST-QZTJIDSGSA-N 2 2 380.545 2.544 20 0 GFADLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CCC1 ZINC000863909055 662349482 /nfs/dbraw/zinc/34/94/82/662349482.db2.gz NWVZQXRPRMGZGF-UHFFFAOYSA-N 2 2 395.345 2.624 20 0 GFADLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CCC1 ZINC000863909055 662349487 /nfs/dbraw/zinc/34/94/87/662349487.db2.gz NWVZQXRPRMGZGF-UHFFFAOYSA-N 2 2 395.345 2.624 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccnc1Br ZINC000865572403 662430127 /nfs/dbraw/zinc/43/01/27/662430127.db2.gz YZVAZYKMPWYWQW-UHFFFAOYSA-N 2 2 379.302 2.859 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473422 663835375 /nfs/dbraw/zinc/83/53/75/663835375.db2.gz QVVHDWZBXFERHT-KBXCAEBGSA-N 2 2 391.313 2.837 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776542 664674580 /nfs/dbraw/zinc/67/45/80/664674580.db2.gz LIEFZBMAMXNQSV-GXTWGEPZSA-N 2 2 395.903 2.534 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000926097283 664681586 /nfs/dbraw/zinc/68/15/86/664681586.db2.gz OVKNIZXUYHQKAG-CQSZACIVSA-N 2 2 378.826 2.666 20 0 GFADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615237 719004082 /nfs/dbraw/zinc/00/40/82/719004082.db2.gz HBLSAIVSHYDEIX-JTJHWIPRSA-N 2 2 386.540 2.748 20 0 GFADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615237 719004087 /nfs/dbraw/zinc/00/40/87/719004087.db2.gz HBLSAIVSHYDEIX-JTJHWIPRSA-N 2 2 386.540 2.748 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809069 720140427 /nfs/dbraw/zinc/14/04/27/720140427.db2.gz GQLFEXYUHAFZKT-DENIHFKCSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809069 720140433 /nfs/dbraw/zinc/14/04/33/720140433.db2.gz GQLFEXYUHAFZKT-DENIHFKCSA-N 2 2 385.556 2.652 20 0 GFADLP Cn1nnc2c1CCN(c1cc3ccccc3c[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714016 720172364 /nfs/dbraw/zinc/17/23/64/720172364.db2.gz NJDFRWZDGXXQHH-FQEVSTJZSA-N 2 2 392.507 2.580 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)C)[nH+]1 ZINC001164819598 720294550 /nfs/dbraw/zinc/29/45/50/720294550.db2.gz DQTXVGXLUJHAPS-VQTJNVASSA-N 2 2 385.556 2.820 20 0 GFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c3C2)cc1 ZINC001164766330 721281961 /nfs/dbraw/zinc/28/19/61/721281961.db2.gz DHERTSOHJQQPMD-UHFFFAOYSA-N 2 2 389.547 2.957 20 0 GFADLP c1ccc(C[NH+]2CCc3ncnc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c3C2)cc1 ZINC001164766330 721281967 /nfs/dbraw/zinc/28/19/67/721281967.db2.gz DHERTSOHJQQPMD-UHFFFAOYSA-N 2 2 389.547 2.957 20 0 GFADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CC5(C4)CC[NH+](CC4CC4)C5)c3C2)cc1 ZINC001164766330 721281972 /nfs/dbraw/zinc/28/19/72/721281972.db2.gz DHERTSOHJQQPMD-UHFFFAOYSA-N 2 2 389.547 2.957 20 0 GFADLP c1ccc(C[N@H+]2CCc3ncnc(N4CC5(C4)CC[NH+](CC4CC4)C5)c3C2)cc1 ZINC001164766330 721281978 /nfs/dbraw/zinc/28/19/78/721281978.db2.gz DHERTSOHJQQPMD-UHFFFAOYSA-N 2 2 389.547 2.957 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164794512 721523324 /nfs/dbraw/zinc/52/33/24/721523324.db2.gz FEEUHHXHYNELKA-IRFCIJBXSA-N 2 2 396.539 2.504 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164794512 721523328 /nfs/dbraw/zinc/52/33/28/721523328.db2.gz FEEUHHXHYNELKA-IRFCIJBXSA-N 2 2 396.539 2.504 20 0 GFADLP CN(C)c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906024 721584361 /nfs/dbraw/zinc/58/43/61/721584361.db2.gz YOFNUUSAAIGCFL-IBGZPJMESA-N 2 2 388.466 2.675 20 0 GFADLP CN(C)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906024 721584364 /nfs/dbraw/zinc/58/43/64/721584364.db2.gz YOFNUUSAAIGCFL-IBGZPJMESA-N 2 2 388.466 2.675 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001165013094 721749725 /nfs/dbraw/zinc/74/97/25/721749725.db2.gz UGJODRROTGWEMP-UHFFFAOYSA-N 2 2 381.524 2.575 20 0 GFADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164918285 721818981 /nfs/dbraw/zinc/81/89/81/721818981.db2.gz LTSBYMJVAKITCD-UHFFFAOYSA-N 2 2 380.540 2.623 20 0 GFADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924306 721867779 /nfs/dbraw/zinc/86/77/79/721867779.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924306 721867782 /nfs/dbraw/zinc/86/77/82/721867782.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924306 721867784 /nfs/dbraw/zinc/86/77/84/721867784.db2.gz KSJZEPGZKUPEBQ-ZWKOTPCHSA-N 2 2 377.964 2.545 20 0 GFADLP c1cn(Cc2ccccc2)c2nc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164966786 722072631 /nfs/dbraw/zinc/07/26/31/722072631.db2.gz CFFZIDLTWMGNMM-BGYRXZFFSA-N 2 2 389.503 2.779 20 0 GFADLP c1cn(Cc2ccccc2)c2nc[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c12 ZINC001164966786 722072632 /nfs/dbraw/zinc/07/26/32/722072632.db2.gz CFFZIDLTWMGNMM-BGYRXZFFSA-N 2 2 389.503 2.779 20 0 GFADLP Cc1cccn2c(C[NH2+]C[C@H](O)COc3ccccc3Br)c[nH+]c12 ZINC000130957210 551370399 /nfs/dbraw/zinc/37/03/99/551370399.db2.gz VFSBWZPMITWVFC-HNNXBMFYSA-N 2 2 390.281 2.935 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000152687236 551437888 /nfs/dbraw/zinc/43/78/88/551437888.db2.gz RLDKLVJORZZCKV-CJNGLKHVSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000152687236 551437889 /nfs/dbraw/zinc/43/78/89/551437889.db2.gz RLDKLVJORZZCKV-CJNGLKHVSA-N 2 2 380.330 2.784 20 0 GFADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000168948902 551634957 /nfs/dbraw/zinc/63/49/57/551634957.db2.gz JSIYFVJWHMFLSW-IBGZPJMESA-N 2 2 398.389 2.880 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654520 552090244 /nfs/dbraw/zinc/09/02/44/552090244.db2.gz VOFDTGRCKJWVLU-KBPBESRZSA-N 2 2 398.345 2.661 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033022 552243796 /nfs/dbraw/zinc/24/37/96/552243796.db2.gz QJTKCVKBQGSASP-DZGCQCFKSA-N 2 2 386.323 2.577 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237754460 553081940 /nfs/dbraw/zinc/08/19/40/553081940.db2.gz YSWDBLSXLURPSR-CZUORRHYSA-N 2 2 385.936 2.827 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@@H]3c3cccnc3)c[nH+]c12 ZINC000261612421 553153833 /nfs/dbraw/zinc/15/38/33/553153833.db2.gz CDWYDPNIWXNDCC-QGZVFWFLSA-N 2 2 386.297 2.947 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371219 563262561 /nfs/dbraw/zinc/26/25/61/563262561.db2.gz LPLBYGVVJHGBNX-MRXNPFEDSA-N 2 2 386.359 2.545 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418279697 563215377 /nfs/dbraw/zinc/21/53/77/563215377.db2.gz PQEAQFKFFTXNOG-KRWDZBQOSA-N 2 2 397.361 2.837 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725745 563248430 /nfs/dbraw/zinc/24/84/30/563248430.db2.gz JBTSBPYXMSVYET-AWEZNQCLSA-N 2 2 376.810 2.982 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000278362692 563251421 /nfs/dbraw/zinc/25/14/21/563251421.db2.gz JANIJPPNZBAEJE-MRXNPFEDSA-N 2 2 377.330 2.837 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000278362692 563251423 /nfs/dbraw/zinc/25/14/23/563251423.db2.gz JANIJPPNZBAEJE-MRXNPFEDSA-N 2 2 377.330 2.837 20 0 GFADLP CCn1cc(Br)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839751 563257729 /nfs/dbraw/zinc/25/77/29/563257729.db2.gz RNQNUISWGPUEBJ-MRXNPFEDSA-N 2 2 397.361 2.511 20 0 GFADLP CCn1cc(Br)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839751 563257731 /nfs/dbraw/zinc/25/77/31/563257731.db2.gz RNQNUISWGPUEBJ-MRXNPFEDSA-N 2 2 397.361 2.511 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371219 563262559 /nfs/dbraw/zinc/26/25/59/563262559.db2.gz LPLBYGVVJHGBNX-MRXNPFEDSA-N 2 2 386.359 2.545 20 0 GFADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000278587623 563262539 /nfs/dbraw/zinc/26/25/39/563262539.db2.gz HWIKLNYNYCPQDV-CQSZACIVSA-N 2 2 393.329 2.782 20 0 GFADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000278587623 563262541 /nfs/dbraw/zinc/26/25/41/563262541.db2.gz HWIKLNYNYCPQDV-CQSZACIVSA-N 2 2 393.329 2.782 20 0 GFADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363031 563262977 /nfs/dbraw/zinc/26/29/77/563262977.db2.gz NQEJACLDRYHWCN-CYBMUJFWSA-N 2 2 389.281 2.501 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000279204496 563287605 /nfs/dbraw/zinc/28/76/05/563287605.db2.gz VHXYBICRWHJKOZ-UHFFFAOYSA-N 2 2 393.329 2.613 20 0 GFADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361354 563360549 /nfs/dbraw/zinc/36/05/49/563360549.db2.gz AFIBQRIIWBXUFC-BFQNTYOBSA-N 2 2 378.318 2.987 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc(Br)c1 ZINC000299023045 563373176 /nfs/dbraw/zinc/37/31/76/563373176.db2.gz CATRHSVHTYBFLF-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc(Br)c1 ZINC000299023045 563373180 /nfs/dbraw/zinc/37/31/80/563373180.db2.gz CATRHSVHTYBFLF-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510882 563408411 /nfs/dbraw/zinc/40/84/11/563408411.db2.gz DXAKAYOMAFLMOV-GUYCJALGSA-N 2 2 378.567 2.629 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510882 563408413 /nfs/dbraw/zinc/40/84/13/563408413.db2.gz DXAKAYOMAFLMOV-GUYCJALGSA-N 2 2 378.567 2.629 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376630047 563448614 /nfs/dbraw/zinc/44/86/14/563448614.db2.gz YQBFMZLDTDCZLO-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376630047 563448616 /nfs/dbraw/zinc/44/86/16/563448616.db2.gz YQBFMZLDTDCZLO-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(Br)c1 ZINC000285490896 563523522 /nfs/dbraw/zinc/52/35/22/563523522.db2.gz MAVMMIKDERAGHJ-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(Br)c1 ZINC000285490896 563523526 /nfs/dbraw/zinc/52/35/26/563523526.db2.gz MAVMMIKDERAGHJ-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000332651766 563610352 /nfs/dbraw/zinc/61/03/52/563610352.db2.gz IRNHSXMMMUKHCU-LBPRGKRZSA-N 2 2 377.286 2.908 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411688178 563629534 /nfs/dbraw/zinc/62/95/34/563629534.db2.gz MYIVFQFOFSWTFM-NSHDSACASA-N 2 2 378.464 2.802 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115876 563719639 /nfs/dbraw/zinc/71/96/39/563719639.db2.gz PWDJCVSTLVBQNL-RHSMWYFYSA-N 2 2 382.346 2.853 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000414115876 563719644 /nfs/dbraw/zinc/71/96/44/563719644.db2.gz PWDJCVSTLVBQNL-RHSMWYFYSA-N 2 2 382.346 2.853 20 0 GFADLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(I)c1OC ZINC000415057395 563757946 /nfs/dbraw/zinc/75/79/46/563757946.db2.gz SLBRYICWTMTGMZ-ZDUSSCGKSA-N 2 2 392.281 2.771 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125414 563760190 /nfs/dbraw/zinc/76/01/90/563760190.db2.gz LECFNUXFXHIMGB-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125414 563760192 /nfs/dbraw/zinc/76/01/92/563760192.db2.gz LECFNUXFXHIMGB-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204660 563778688 /nfs/dbraw/zinc/77/86/88/563778688.db2.gz SODOAARSYNPXKY-KSSFIOAISA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204660 563778692 /nfs/dbraw/zinc/77/86/92/563778692.db2.gz SODOAARSYNPXKY-KSSFIOAISA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204660 563778694 /nfs/dbraw/zinc/77/86/94/563778694.db2.gz SODOAARSYNPXKY-KSSFIOAISA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204660 563778698 /nfs/dbraw/zinc/77/86/98/563778698.db2.gz SODOAARSYNPXKY-KSSFIOAISA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)s1 ZINC000442988110 563786382 /nfs/dbraw/zinc/78/63/82/563786382.db2.gz DJDOPTZIBINAGK-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062708 563873751 /nfs/dbraw/zinc/87/37/51/563873751.db2.gz CUZDLIXNYQKCAI-ZIAGYGMSSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062708 563873753 /nfs/dbraw/zinc/87/37/53/563873753.db2.gz CUZDLIXNYQKCAI-ZIAGYGMSSA-N 2 2 376.444 2.825 20 0 GFADLP [NH3+]CC(F)(F)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000417567091 563883356 /nfs/dbraw/zinc/88/33/56/563883356.db2.gz IUZSUWFMFKMJSB-UHFFFAOYSA-N 2 2 395.281 2.851 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987252 563893477 /nfs/dbraw/zinc/89/34/77/563893477.db2.gz OQLGLAJANPCZDQ-ZIAGYGMSSA-N 2 2 378.826 2.508 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987252 563893480 /nfs/dbraw/zinc/89/34/80/563893480.db2.gz OQLGLAJANPCZDQ-ZIAGYGMSSA-N 2 2 378.826 2.508 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)[nH+]c12 ZINC000417995340 563894386 /nfs/dbraw/zinc/89/43/86/563894386.db2.gz ASKHSPHKXNKVCO-ZDUSSCGKSA-N 2 2 394.317 2.676 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449598980 564191148 /nfs/dbraw/zinc/19/11/48/564191148.db2.gz JSXGNGAAAXBMMQ-DHSIGJKJSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449598980 564191150 /nfs/dbraw/zinc/19/11/50/564191150.db2.gz JSXGNGAAAXBMMQ-DHSIGJKJSA-N 2 2 397.357 2.681 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000564149730 564222199 /nfs/dbraw/zinc/22/21/99/564222199.db2.gz AGVRYGVXAYRDPO-LBPRGKRZSA-N 2 2 382.295 2.716 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122545 564310698 /nfs/dbraw/zinc/31/06/98/564310698.db2.gz NLHUPIXHBSCHEL-JHALLHGUSA-N 2 2 383.330 2.522 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C/C=C/c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122545 564310702 /nfs/dbraw/zinc/31/07/02/564310702.db2.gz NLHUPIXHBSCHEL-JHALLHGUSA-N 2 2 383.330 2.522 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000566164639 564313811 /nfs/dbraw/zinc/31/38/11/564313811.db2.gz GJFVGPNUKKNCKI-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 ZINC000566164639 564313815 /nfs/dbraw/zinc/31/38/15/564313815.db2.gz GJFVGPNUKKNCKI-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656938 564342305 /nfs/dbraw/zinc/34/23/05/564342305.db2.gz NQIIJHBIAWKJFF-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656938 564342307 /nfs/dbraw/zinc/34/23/07/564342307.db2.gz NQIIJHBIAWKJFF-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567363981 564369190 /nfs/dbraw/zinc/36/91/90/564369190.db2.gz XERKSTVUJJTWKW-HNNXBMFYSA-N 2 2 391.339 2.558 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683519 564383560 /nfs/dbraw/zinc/38/35/60/564383560.db2.gz PYZJHPWFQQSJJQ-HUUCEWRRSA-N 2 2 389.359 2.685 20 0 GFADLP C[C@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514143046 564447017 /nfs/dbraw/zinc/44/70/17/564447017.db2.gz ZRZPGMTXAFBGOI-AWEZNQCLSA-N 2 2 380.330 2.532 20 0 GFADLP C[C@H]1c2cccc(Br)c2CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514143046 564447023 /nfs/dbraw/zinc/44/70/23/564447023.db2.gz ZRZPGMTXAFBGOI-AWEZNQCLSA-N 2 2 380.330 2.532 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619425 564483666 /nfs/dbraw/zinc/48/36/66/564483666.db2.gz ILIHMZONBBFFGT-IAGOWNOFSA-N 2 2 378.929 2.775 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619425 564483668 /nfs/dbraw/zinc/48/36/68/564483668.db2.gz ILIHMZONBBFFGT-IAGOWNOFSA-N 2 2 378.929 2.775 20 0 GFADLP CN(CC[N@H+](C)Cc1cc(Br)cc2c1OCC2)C1CC[NH+](C)CC1 ZINC000516512919 564503709 /nfs/dbraw/zinc/50/37/09/564503709.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 2 2 396.373 2.842 20 0 GFADLP CN(CC[N@@H+](C)Cc1cc(Br)cc2c1OCC2)C1CC[NH+](C)CC1 ZINC000516512919 564503714 /nfs/dbraw/zinc/50/37/14/564503714.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 2 2 396.373 2.842 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cc2c1OCC2 ZINC000516512919 564503717 /nfs/dbraw/zinc/50/37/17/564503717.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 2 2 396.373 2.842 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cc2c1OCC2 ZINC000516512919 564503719 /nfs/dbraw/zinc/50/37/19/564503719.db2.gz IUOYJHMZKMMJIW-UHFFFAOYSA-N 2 2 396.373 2.842 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629071 564547418 /nfs/dbraw/zinc/54/74/18/564547418.db2.gz MHGYLIBMQJXZSN-DAXOMENPSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629071 564547421 /nfs/dbraw/zinc/54/74/21/564547421.db2.gz MHGYLIBMQJXZSN-DAXOMENPSA-N 2 2 380.330 2.927 20 0 GFADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963764 564566453 /nfs/dbraw/zinc/56/64/53/564566453.db2.gz OHRHMGGTZNJJSQ-PVAVHDDUSA-N 2 2 387.293 2.544 20 0 GFADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)COc1cc(F)cc(Br)c1 ZINC000518963764 564566457 /nfs/dbraw/zinc/56/64/57/564566457.db2.gz OHRHMGGTZNJJSQ-PVAVHDDUSA-N 2 2 387.293 2.544 20 0 GFADLP O=C(C[NH2+]Cc1cc(F)ccc1Br)NCC[NH+]1CCCCCC1 ZINC000552064677 564675693 /nfs/dbraw/zinc/67/56/93/564675693.db2.gz HNVZEPVEWUVKES-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000574571306 564680046 /nfs/dbraw/zinc/68/00/46/564680046.db2.gz DTQVHXKCQCZBNI-XOKHGSTOSA-N 2 2 380.330 2.830 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529528301 564840202 /nfs/dbraw/zinc/84/02/02/564840202.db2.gz DRQXSEHUYFIZGM-UHFFFAOYSA-N 2 2 399.352 2.974 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075918 564868773 /nfs/dbraw/zinc/86/87/73/564868773.db2.gz GPSFHJBGSPRAND-OAHLLOKOSA-N 2 2 393.329 2.802 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075918 564868775 /nfs/dbraw/zinc/86/87/75/564868775.db2.gz GPSFHJBGSPRAND-OAHLLOKOSA-N 2 2 393.329 2.802 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(N2CCOCC2)c1 ZINC000530244824 564873361 /nfs/dbraw/zinc/87/33/61/564873361.db2.gz PHWBEBJEJQIHCN-KRWDZBQOSA-N 2 2 380.330 2.660 20 0 GFADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1ccc(Br)cc1 ZINC000583258712 564883418 /nfs/dbraw/zinc/88/34/18/564883418.db2.gz FEAPTMKKLADMQO-OAHLLOKOSA-N 2 2 380.286 2.511 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449026 564891944 /nfs/dbraw/zinc/89/19/44/564891944.db2.gz ZAVMYPJUVWRTES-DYVFJYSZSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449026 564891949 /nfs/dbraw/zinc/89/19/49/564891949.db2.gz ZAVMYPJUVWRTES-DYVFJYSZSA-N 2 2 385.346 2.601 20 0 GFADLP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779362 564918465 /nfs/dbraw/zinc/91/84/65/564918465.db2.gz YHQKOYBNOBHRNF-ROUUACIJSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779362 564918467 /nfs/dbraw/zinc/91/84/67/564918467.db2.gz YHQKOYBNOBHRNF-ROUUACIJSA-N 2 2 381.611 2.998 20 0 GFADLP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155263 565057457 /nfs/dbraw/zinc/05/74/57/565057457.db2.gz DUOKOXZUKOVUDS-HNNXBMFYSA-N 2 2 395.301 2.535 20 0 GFADLP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155263 565057458 /nfs/dbraw/zinc/05/74/58/565057458.db2.gz DUOKOXZUKOVUDS-HNNXBMFYSA-N 2 2 395.301 2.535 20 0 GFADLP CC(C)[C@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CC[NH+](C)CC1 ZINC000638353338 565193668 /nfs/dbraw/zinc/19/36/68/565193668.db2.gz RGLQOSNCURNWJU-INIZCTEOSA-N 2 2 395.345 2.952 20 0 GFADLP Cc1ccc(Br)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638985346 565219665 /nfs/dbraw/zinc/21/96/65/565219665.db2.gz DXFJKWNMDKNJGV-UHFFFAOYSA-N 2 2 375.270 2.814 20 0 GFADLP Ic1cccc(OCCC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448517 565230580 /nfs/dbraw/zinc/23/05/80/565230580.db2.gz JVLMRLVRZNFUEH-CZUORRHYSA-N 2 2 386.277 2.744 20 0 GFADLP Ic1cccc(OCCC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448517 565230584 /nfs/dbraw/zinc/23/05/84/565230584.db2.gz JVLMRLVRZNFUEH-CZUORRHYSA-N 2 2 386.277 2.744 20 0 GFADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@@H]2CCCOc3ccc(I)cc32)C1 ZINC000591581175 565233280 /nfs/dbraw/zinc/23/32/80/565233280.db2.gz MIOIRPIKWWXFQT-VHRBIJSZSA-N 2 2 390.240 2.795 20 0 GFADLP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706318 565255135 /nfs/dbraw/zinc/25/51/35/565255135.db2.gz XVEJZQJHFXQHHS-KRWDZBQOSA-N 2 2 389.297 2.583 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000617763891 565256298 /nfs/dbraw/zinc/25/62/98/565256298.db2.gz AHWMIGOIIAIFML-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(Br)cc1Cl ZINC000617763891 565256301 /nfs/dbraw/zinc/25/63/01/565256301.db2.gz AHWMIGOIIAIFML-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)cccc1Br ZINC000617763303 565256652 /nfs/dbraw/zinc/25/66/52/565256652.db2.gz MFGYLIASRJCSCL-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)cccc1Br ZINC000617763303 565256657 /nfs/dbraw/zinc/25/66/57/565256657.db2.gz MFGYLIASRJCSCL-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP O=C(C[N@@H+]1CCCc2sccc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000592981915 565305303 /nfs/dbraw/zinc/30/53/03/565305303.db2.gz LXQUUBQIQMPLJV-UHFFFAOYSA-N 2 2 375.563 2.902 20 0 GFADLP O=C(C[N@H+]1CCCc2sccc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000592981915 565305309 /nfs/dbraw/zinc/30/53/09/565305309.db2.gz LXQUUBQIQMPLJV-UHFFFAOYSA-N 2 2 375.563 2.902 20 0 GFADLP Cc1nc(C)c(Br)c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000663481314 565423379 /nfs/dbraw/zinc/42/33/79/565423379.db2.gz IWLBCOAIVHXXNI-UHFFFAOYSA-N 2 2 382.350 2.826 20 0 GFADLP Cc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663481314 565423383 /nfs/dbraw/zinc/42/33/83/565423383.db2.gz IWLBCOAIVHXXNI-UHFFFAOYSA-N 3 2 382.350 2.826 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000664237810 565455747 /nfs/dbraw/zinc/45/57/47/565455747.db2.gz TVYWZFZQJPFGEA-AWEZNQCLSA-N 2 2 389.327 2.610 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000664237810 565455752 /nfs/dbraw/zinc/45/57/52/565455752.db2.gz TVYWZFZQJPFGEA-AWEZNQCLSA-N 2 2 389.327 2.610 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Br)cc1F ZINC000664330625 565460549 /nfs/dbraw/zinc/46/05/49/565460549.db2.gz KLVKMVMBPZTNBQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)cc1F ZINC000664330625 565460553 /nfs/dbraw/zinc/46/05/53/565460553.db2.gz KLVKMVMBPZTNBQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631159 565486562 /nfs/dbraw/zinc/48/65/62/565486562.db2.gz HPBZBKQAEIKUCL-HOCLYGCPSA-N 2 2 386.323 2.534 20 0 GFADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631159 565486563 /nfs/dbraw/zinc/48/65/63/565486563.db2.gz HPBZBKQAEIKUCL-HOCLYGCPSA-N 2 2 386.323 2.534 20 0 GFADLP Ic1cnc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596058408 565511484 /nfs/dbraw/zinc/51/14/84/565511484.db2.gz HIUMBZWONIUUSX-LBPRGKRZSA-N 2 2 391.322 2.959 20 0 GFADLP Ic1cnc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596058408 565511486 /nfs/dbraw/zinc/51/14/86/565511486.db2.gz HIUMBZWONIUUSX-LBPRGKRZSA-N 2 2 391.322 2.959 20 0 GFADLP COc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc(Br)c1OC(F)F ZINC000666945608 565563953 /nfs/dbraw/zinc/56/39/53/565563953.db2.gz ZZPRXIZFOHWZSZ-UWVGGRQHSA-N 2 2 383.208 2.849 20 0 GFADLP CC[N@H+](CC[NH3+])CCOc1cc(Br)c(OC)cc1Br ZINC000600719316 565746706 /nfs/dbraw/zinc/74/67/06/565746706.db2.gz JSUZQDGSNNBNEX-UHFFFAOYSA-N 2 2 396.123 2.880 20 0 GFADLP CC[N@@H+](CC[NH3+])CCOc1cc(Br)c(OC)cc1Br ZINC000600719316 565746713 /nfs/dbraw/zinc/74/67/13/565746713.db2.gz JSUZQDGSNNBNEX-UHFFFAOYSA-N 2 2 396.123 2.880 20 0 GFADLP Ic1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000602719177 565865205 /nfs/dbraw/zinc/86/52/05/565865205.db2.gz USPHVHOCPQQNLQ-LBPRGKRZSA-N 2 2 392.306 2.696 20 0 GFADLP C[NH+]1CCN(CCCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631040192 565934437 /nfs/dbraw/zinc/93/44/37/565934437.db2.gz HJJIMTIRESSRBI-UHFFFAOYSA-N 2 2 375.742 2.615 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000653115489 565955218 /nfs/dbraw/zinc/95/52/18/565955218.db2.gz QGYAIAKXVSHPFH-OAHLLOKOSA-N 2 2 393.285 2.854 20 0 GFADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000677654645 565980858 /nfs/dbraw/zinc/98/08/58/565980858.db2.gz XVZNYYJTHFVDGA-SJLPKXTDSA-N 2 2 384.351 2.977 20 0 GFADLP Cc1cccc2c(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410980 599122709 /nfs/dbraw/zinc/12/27/09/599122709.db2.gz WPQPWGDLJSQTIM-QGZVFWFLSA-N 2 2 385.475 2.832 20 0 GFADLP Cc1cccc2c(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410980 599122710 /nfs/dbraw/zinc/12/27/10/599122710.db2.gz WPQPWGDLJSQTIM-QGZVFWFLSA-N 2 2 385.475 2.832 20 0 GFADLP c1csc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000738452204 599261111 /nfs/dbraw/zinc/26/11/11/599261111.db2.gz LSFZDAQOQWPZKX-UHFFFAOYSA-N 2 2 377.477 2.799 20 0 GFADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524336 598532403 /nfs/dbraw/zinc/53/24/03/598532403.db2.gz UXVNTSUJFWEPDL-LAUBAEHRSA-N 2 2 394.523 2.743 20 0 GFADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524336 598532405 /nfs/dbraw/zinc/53/24/05/598532405.db2.gz UXVNTSUJFWEPDL-LAUBAEHRSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524336 598532407 /nfs/dbraw/zinc/53/24/07/598532407.db2.gz UXVNTSUJFWEPDL-LAUBAEHRSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524336 598532409 /nfs/dbraw/zinc/53/24/09/598532409.db2.gz UXVNTSUJFWEPDL-LAUBAEHRSA-N 2 2 394.523 2.743 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433318 599363326 /nfs/dbraw/zinc/36/33/26/599363326.db2.gz XPRAHGOIXMIMHS-INIZCTEOSA-N 2 2 378.480 2.550 20 0 GFADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(-c4nn[nH]n4)cn3)cc2)CC1 ZINC000736759444 599530110 /nfs/dbraw/zinc/53/01/10/599530110.db2.gz RGKHHCSDKYWPMF-UHFFFAOYSA-N 2 2 378.484 2.783 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000821589532 606223583 /nfs/dbraw/zinc/22/35/83/606223583.db2.gz RVUXVPDXMDXSFE-UHFFFAOYSA-N 2 2 383.525 2.753 20 0 GFADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821808530 606479965 /nfs/dbraw/zinc/47/99/65/606479965.db2.gz HQPNDFCPTRDRJB-OXJNMPFZSA-N 2 2 392.507 2.876 20 0 GFADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821808530 606479967 /nfs/dbraw/zinc/47/99/67/606479967.db2.gz HQPNDFCPTRDRJB-OXJNMPFZSA-N 2 2 392.507 2.876 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412070 608314242 /nfs/dbraw/zinc/31/42/42/608314242.db2.gz JECIRGGOCHAFBU-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412070 608314243 /nfs/dbraw/zinc/31/42/43/608314243.db2.gz JECIRGGOCHAFBU-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826168984 608362853 /nfs/dbraw/zinc/36/28/53/608362853.db2.gz DTFSHHADSURGBI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826168984 608362855 /nfs/dbraw/zinc/36/28/55/608362855.db2.gz DTFSHHADSURGBI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826168984 608362857 /nfs/dbraw/zinc/36/28/57/608362857.db2.gz DTFSHHADSURGBI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826168984 608362858 /nfs/dbraw/zinc/36/28/58/608362858.db2.gz DTFSHHADSURGBI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825976243 608650596 /nfs/dbraw/zinc/65/05/96/608650596.db2.gz HXCGWZCYAXRPFM-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825976243 608650597 /nfs/dbraw/zinc/65/05/97/608650597.db2.gz HXCGWZCYAXRPFM-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825976243 608650598 /nfs/dbraw/zinc/65/05/98/608650598.db2.gz HXCGWZCYAXRPFM-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825976243 608650599 /nfs/dbraw/zinc/65/05/99/608650599.db2.gz HXCGWZCYAXRPFM-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785887 660208705 /nfs/dbraw/zinc/20/87/05/660208705.db2.gz OULXFZCWMVVOCV-KRWDZBQOSA-N 2 2 391.387 2.772 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817785887 660208706 /nfs/dbraw/zinc/20/87/06/660208706.db2.gz OULXFZCWMVVOCV-KRWDZBQOSA-N 2 2 391.387 2.772 20 0 GFADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000125094954 654787734 /nfs/dbraw/zinc/78/77/34/654787734.db2.gz BQJONZLPBQNASJ-INIZCTEOSA-N 2 2 379.595 2.920 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869275 654989404 /nfs/dbraw/zinc/98/94/04/654989404.db2.gz FVNFKMFFFTZDFX-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869275 654989408 /nfs/dbraw/zinc/98/94/08/654989408.db2.gz FVNFKMFFFTZDFX-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869273 654989540 /nfs/dbraw/zinc/98/95/40/654989540.db2.gz FVNFKMFFFTZDFX-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869273 654989541 /nfs/dbraw/zinc/98/95/41/654989541.db2.gz FVNFKMFFFTZDFX-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715592 655206275 /nfs/dbraw/zinc/20/62/75/655206275.db2.gz RFOFCDSILSRNKL-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715592 655206277 /nfs/dbraw/zinc/20/62/77/655206277.db2.gz RFOFCDSILSRNKL-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289248550 655344914 /nfs/dbraw/zinc/34/49/14/655344914.db2.gz CDJOPASMPDYDJG-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289248550 655344915 /nfs/dbraw/zinc/34/49/15/655344915.db2.gz CDJOPASMPDYDJG-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840024475 661125259 /nfs/dbraw/zinc/12/52/59/661125259.db2.gz BRAQTILHVIKOTR-QGZVFWFLSA-N 2 2 391.313 2.941 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000840024475 661125263 /nfs/dbraw/zinc/12/52/63/661125263.db2.gz BRAQTILHVIKOTR-QGZVFWFLSA-N 2 2 391.313 2.941 20 0 GFADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000759912707 655966250 /nfs/dbraw/zinc/96/62/50/655966250.db2.gz YJRISHKTTIQYDU-MRXNPFEDSA-N 2 2 383.330 2.749 20 0 GFADLP CC1(C)OC[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000852038303 661850170 /nfs/dbraw/zinc/85/01/70/661850170.db2.gz AYCPCCUAQACMPT-AWEZNQCLSA-N 2 2 384.274 2.892 20 0 GFADLP CC1(C)OC[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000852038303 661850172 /nfs/dbraw/zinc/85/01/72/661850172.db2.gz AYCPCCUAQACMPT-AWEZNQCLSA-N 2 2 384.274 2.892 20 0 GFADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccns1 ZINC000860057460 662185287 /nfs/dbraw/zinc/18/52/87/662185287.db2.gz SUGRZFKJURHFCS-AWEZNQCLSA-N 2 2 376.551 2.981 20 0 GFADLP Cc1ccnc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1Br ZINC000865438523 662421345 /nfs/dbraw/zinc/42/13/45/662421345.db2.gz CAIMCZWXZZJFRQ-UHFFFAOYSA-N 2 2 381.362 2.801 20 0 GFADLP FC(F)(F)c1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000872107455 662756042 /nfs/dbraw/zinc/75/60/42/662756042.db2.gz MHMRNLDMAYIDJY-UHFFFAOYSA-N 2 2 377.476 2.653 20 0 GFADLP COC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758679 662882947 /nfs/dbraw/zinc/88/29/47/662882947.db2.gz KCLUZPJSDGYYCZ-KRWDZBQOSA-N 2 2 385.346 2.962 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000884204893 663066864 /nfs/dbraw/zinc/06/68/64/663066864.db2.gz HBQSLQWDHKMJHO-HNNXBMFYSA-N 2 2 378.270 2.786 20 0 GFADLP C[N@H+](Cc1cnc(CC(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459853 663462972 /nfs/dbraw/zinc/46/29/72/663462972.db2.gz PYJZDLWGZIMEHB-AWEZNQCLSA-N 2 2 376.492 2.848 20 0 GFADLP C[N@@H+](Cc1cnc(CC(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459853 663462975 /nfs/dbraw/zinc/46/29/75/663462975.db2.gz PYJZDLWGZIMEHB-AWEZNQCLSA-N 2 2 376.492 2.848 20 0 GFADLP Cc1cc(Br)ccc1C[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903910354 663810943 /nfs/dbraw/zinc/81/09/43/663810943.db2.gz LREOYYXUTAPENM-MRXNPFEDSA-N 2 2 378.318 2.906 20 0 GFADLP Cc1cc(Br)ccc1C[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903910354 663810945 /nfs/dbraw/zinc/81/09/45/663810945.db2.gz LREOYYXUTAPENM-MRXNPFEDSA-N 2 2 378.318 2.906 20 0 GFADLP Cc1nc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)sc1Br ZINC000921522485 664552066 /nfs/dbraw/zinc/55/20/66/664552066.db2.gz RDZHIZDHBTUJHR-ZDUSSCGKSA-N 2 2 375.380 2.576 20 0 GFADLP C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000921690254 664560726 /nfs/dbraw/zinc/56/07/26/664560726.db2.gz OQYVEZRSYWXKOK-GFCCVEGCSA-N 2 2 396.308 2.914 20 0 GFADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585033 664673424 /nfs/dbraw/zinc/67/34/24/664673424.db2.gz RKLGFUUEMVHVQD-YEWWUXTCSA-N 2 2 379.298 2.867 20 0 GFADLP C[NH+](C)CC1(O)CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000931482344 664796148 /nfs/dbraw/zinc/79/61/48/664796148.db2.gz FBXOFVANVIPVPW-UHFFFAOYSA-N 2 2 393.272 2.939 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811625 720112709 /nfs/dbraw/zinc/11/27/09/720112709.db2.gz NAGYNQAAFVGYAV-AVRDEDQJSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811625 720112712 /nfs/dbraw/zinc/11/27/12/720112712.db2.gz NAGYNQAAFVGYAV-AVRDEDQJSA-N 2 2 387.524 2.670 20 0 GFADLP CC(C)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]c1 ZINC001164717006 720184790 /nfs/dbraw/zinc/18/47/90/720184790.db2.gz IYEYBOMMJYJSEX-IBGZPJMESA-N 2 2 384.528 2.550 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838816 720583569 /nfs/dbraw/zinc/58/35/69/720583569.db2.gz MAUIVUFEOBUOIS-DBXWQHBBSA-N 2 2 380.540 2.848 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838816 720583590 /nfs/dbraw/zinc/58/35/90/720583590.db2.gz MAUIVUFEOBUOIS-DBXWQHBBSA-N 2 2 380.540 2.848 20 0 GFADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@H]2C1 ZINC001164858463 720855402 /nfs/dbraw/zinc/85/54/02/720855402.db2.gz SCWCKLZIYYWPHB-UWJYYQICSA-N 2 2 385.508 2.725 20 0 GFADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@H]2C1 ZINC001164858463 720855405 /nfs/dbraw/zinc/85/54/05/720855405.db2.gz SCWCKLZIYYWPHB-UWJYYQICSA-N 2 2 385.508 2.725 20 0 GFADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@H]2C1 ZINC001164858448 720855486 /nfs/dbraw/zinc/85/54/86/720855486.db2.gz SCWCKLZIYYWPHB-LAUBAEHRSA-N 2 2 385.508 2.725 20 0 GFADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@H]2C1 ZINC001164858448 720855487 /nfs/dbraw/zinc/85/54/87/720855487.db2.gz SCWCKLZIYYWPHB-LAUBAEHRSA-N 2 2 385.508 2.725 20 0 GFADLP C[C@H]1c2ncc(COCC3CC3)n2CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164876225 721242230 /nfs/dbraw/zinc/24/22/30/721242230.db2.gz YSCLSNJZRPHXRU-KRWDZBQOSA-N 2 2 396.539 2.538 20 0 GFADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631789 206235211 /nfs/dbraw/zinc/23/52/11/206235211.db2.gz KWXGCGNSFMNWAI-IRFCIJBXSA-N 2 2 389.588 2.916 20 0 GFADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631789 206235215 /nfs/dbraw/zinc/23/52/15/206235215.db2.gz KWXGCGNSFMNWAI-IRFCIJBXSA-N 2 2 389.588 2.916 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631789 206235218 /nfs/dbraw/zinc/23/52/18/206235218.db2.gz KWXGCGNSFMNWAI-IRFCIJBXSA-N 2 2 389.588 2.916 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631789 206235221 /nfs/dbraw/zinc/23/52/21/206235221.db2.gz KWXGCGNSFMNWAI-IRFCIJBXSA-N 2 2 389.588 2.916 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccnc3Br)CC2)CC1 ZINC000122244646 551296165 /nfs/dbraw/zinc/29/61/65/551296165.db2.gz FJGMBMNJGMEXMM-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153308409 551449993 /nfs/dbraw/zinc/44/99/93/551449993.db2.gz RXSANJROWLXRKP-LSDHHAIUSA-N 2 2 398.345 2.724 20 0 GFADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(I)cc1 ZINC000153310181 551450076 /nfs/dbraw/zinc/45/00/76/551450076.db2.gz PZTXFEYCWFJPNG-UONOGXRCSA-N 2 2 388.293 2.910 20 0 GFADLP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H](C)C1 ZINC000158338937 551550577 /nfs/dbraw/zinc/55/05/77/551550577.db2.gz WPRGTUNUMKSATC-WFASDCNBSA-N 2 2 394.317 2.625 20 0 GFADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H](C)C1 ZINC000158338937 551550581 /nfs/dbraw/zinc/55/05/81/551550581.db2.gz WPRGTUNUMKSATC-WFASDCNBSA-N 2 2 394.317 2.625 20 0 GFADLP COC1CC[NH+](CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000163727140 551621993 /nfs/dbraw/zinc/62/19/93/551621993.db2.gz GNJDNEQQQSMHCE-AWEZNQCLSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000181170081 552249239 /nfs/dbraw/zinc/24/92/39/552249239.db2.gz YJSBKYWBLGGYFH-INIZCTEOSA-N 2 2 386.367 2.874 20 0 GFADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000261837899 553160401 /nfs/dbraw/zinc/16/04/01/553160401.db2.gz YGERJFFNLKAGGV-OAHLLOKOSA-N 2 2 384.293 2.991 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000262097023 553166086 /nfs/dbraw/zinc/16/60/86/553166086.db2.gz VFOXVHDRTLYRNY-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Br ZINC000262097023 553166088 /nfs/dbraw/zinc/16/60/88/553166088.db2.gz VFOXVHDRTLYRNY-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262350768 553170030 /nfs/dbraw/zinc/17/00/30/553170030.db2.gz ILQKZGHHNKORLG-ZDUSSCGKSA-N 2 2 378.929 2.817 20 0 GFADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899024 564301324 /nfs/dbraw/zinc/30/13/24/564301324.db2.gz YHNIFFNEMJWATA-LBPRGKRZSA-N 2 2 375.257 2.915 20 0 GFADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899024 564301326 /nfs/dbraw/zinc/30/13/26/564301326.db2.gz YHNIFFNEMJWATA-LBPRGKRZSA-N 2 2 375.257 2.915 20 0 GFADLP C[C@H](CCC[NH3+])NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418690707 563221974 /nfs/dbraw/zinc/22/19/74/563221974.db2.gz PSYYZRJNTUWIDU-CYBMUJFWSA-N 2 2 398.305 2.578 20 0 GFADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418679849 563222118 /nfs/dbraw/zinc/22/21/18/563222118.db2.gz BXSHZOCFGXNJHD-CQSZACIVSA-N 2 2 387.355 2.991 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC[C@@H]2c2cccs2)CC1 ZINC000371144862 563266910 /nfs/dbraw/zinc/26/69/10/563266910.db2.gz LJJABBFVIANZIS-MRXNPFEDSA-N 2 2 382.599 2.574 20 0 GFADLP Brc1cccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422898881 563349939 /nfs/dbraw/zinc/34/99/39/563349939.db2.gz NEDLILHYQQNXHF-CCKFTAQKSA-N 2 2 394.357 2.632 20 0 GFADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000424198290 563373137 /nfs/dbraw/zinc/37/31/37/563373137.db2.gz XSUSAFZHZXYZBE-UHFFFAOYSA-N 2 2 398.248 2.797 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377258974 563468693 /nfs/dbraw/zinc/46/86/93/563468693.db2.gz ULMCGHPKRVROBJ-KMFMINBZSA-N 2 2 378.318 2.712 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377258974 563468697 /nfs/dbraw/zinc/46/86/97/563468697.db2.gz ULMCGHPKRVROBJ-KMFMINBZSA-N 2 2 378.318 2.712 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000377621120 563480936 /nfs/dbraw/zinc/48/09/36/563480936.db2.gz GMSOKARHBUPVOU-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000377621120 563480940 /nfs/dbraw/zinc/48/09/40/563480940.db2.gz GMSOKARHBUPVOU-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1Br ZINC000285400361 563518625 /nfs/dbraw/zinc/51/86/25/563518625.db2.gz FBWGGSQQOIIYJW-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1Br ZINC000285400361 563518627 /nfs/dbraw/zinc/51/86/27/563518627.db2.gz FBWGGSQQOIIYJW-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435368836 563648982 /nfs/dbraw/zinc/64/89/82/563648982.db2.gz CENVZLCGQYHZHB-CZUORRHYSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435368836 563648984 /nfs/dbraw/zinc/64/89/84/563648984.db2.gz CENVZLCGQYHZHB-CZUORRHYSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435368837 563649032 /nfs/dbraw/zinc/64/90/32/563649032.db2.gz CENVZLCGQYHZHB-XJKSGUPXSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435368837 563649034 /nfs/dbraw/zinc/64/90/34/563649034.db2.gz CENVZLCGQYHZHB-XJKSGUPXSA-N 2 2 399.329 2.869 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827801 563687802 /nfs/dbraw/zinc/68/78/02/563687802.db2.gz QCSMGDDVRYHMTK-KBXCAEBGSA-N 2 2 390.325 2.914 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)nc1 ZINC000289827801 563687808 /nfs/dbraw/zinc/68/78/08/563687808.db2.gz QCSMGDDVRYHMTK-KBXCAEBGSA-N 2 2 390.325 2.914 20 0 GFADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414055191 563716530 /nfs/dbraw/zinc/71/65/30/563716530.db2.gz OEZMGSBDNHBAHZ-UHFFFAOYSA-N 2 2 391.313 2.735 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000414068444 563717183 /nfs/dbraw/zinc/71/71/83/563717183.db2.gz JSQOSGRKVBWPKQ-MAUKXSAKSA-N 2 2 392.341 2.762 20 0 GFADLP CN(C(=O)c1c(F)cccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364251317 563747590 /nfs/dbraw/zinc/74/75/90/563747590.db2.gz FWLBGHXFJGXMGH-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1c(F)cccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364251317 563747592 /nfs/dbraw/zinc/74/75/92/563747592.db2.gz FWLBGHXFJGXMGH-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H](C[NH3+])[NH2+]Cc1cc(I)c(Br)cc1F ZINC000414947390 563754984 /nfs/dbraw/zinc/75/49/84/563754984.db2.gz VAASNDWIMMOZDN-LURJTMIESA-N 2 2 387.034 2.630 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1OCC ZINC000415098622 563759039 /nfs/dbraw/zinc/75/90/39/563759039.db2.gz WHZVCKLJTNRELC-CQSZACIVSA-N 2 2 387.318 2.715 20 0 GFADLP [NH3+]CC[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(F)(F)F ZINC000416038999 563804014 /nfs/dbraw/zinc/80/40/14/563804014.db2.gz FPKREUQRKQGZFS-ZDUSSCGKSA-N 2 2 375.782 2.605 20 0 GFADLP C[NH+]1CCC2(CCC[N@@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863910 563822855 /nfs/dbraw/zinc/82/28/55/563822855.db2.gz ICBSRJRJRQOING-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+]1CCC2(CCC[N@H+]([C@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863910 563822857 /nfs/dbraw/zinc/82/28/57/563822857.db2.gz ICBSRJRJRQOING-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102566 563863883 /nfs/dbraw/zinc/86/38/83/563863883.db2.gz OUBOBVOVOQOWGP-JSGCOSHPSA-N 2 2 382.917 2.569 20 0 GFADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102566 563863884 /nfs/dbraw/zinc/86/38/84/563863884.db2.gz OUBOBVOVOQOWGP-JSGCOSHPSA-N 2 2 382.917 2.569 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084626 563874266 /nfs/dbraw/zinc/87/42/66/563874266.db2.gz FCRYIGLUOUATCL-SWLSCSKDSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084626 563874269 /nfs/dbraw/zinc/87/42/69/563874269.db2.gz FCRYIGLUOUATCL-SWLSCSKDSA-N 2 2 378.460 2.929 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@H]3[C@H](C)[NH3+])[nH+]c12 ZINC000418020726 563895386 /nfs/dbraw/zinc/89/53/86/563895386.db2.gz HBBGCWXEURUGQN-WFASDCNBSA-N 2 2 394.317 2.817 20 0 GFADLP C[NH2+]C[C@H]1CCCN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418023223 563895819 /nfs/dbraw/zinc/89/58/19/563895819.db2.gz LUAFOXCXHFXEAX-CYBMUJFWSA-N 2 2 394.317 2.546 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C[NH3+])CC(C)C)[nH+]c12 ZINC000418024781 563895934 /nfs/dbraw/zinc/89/59/34/563895934.db2.gz UIEDRGZHCXPQFC-OAHLLOKOSA-N 2 2 396.333 2.620 20 0 GFADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601149 564192196 /nfs/dbraw/zinc/19/21/96/564192196.db2.gz QQYIYEXKFZIUJF-LXZKKBNFSA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601149 564192199 /nfs/dbraw/zinc/19/21/99/564192199.db2.gz QQYIYEXKFZIUJF-LXZKKBNFSA-N 2 2 385.346 2.539 20 0 GFADLP CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563497309 564193229 /nfs/dbraw/zinc/19/32/29/564193229.db2.gz WRJWXXWICWJZBX-NSHDSACASA-N 2 2 387.347 2.668 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085515 564208285 /nfs/dbraw/zinc/20/82/85/564208285.db2.gz XJXLOFZYFNZTHH-DYVFJYSZSA-N 2 2 386.323 2.577 20 0 GFADLP COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565841016 564298855 /nfs/dbraw/zinc/29/88/55/564298855.db2.gz FELNTRQLVPERCK-INIZCTEOSA-N 2 2 380.286 2.961 20 0 GFADLP COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565841016 564298857 /nfs/dbraw/zinc/29/88/57/564298857.db2.gz FELNTRQLVPERCK-INIZCTEOSA-N 2 2 380.286 2.961 20 0 GFADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266645 564307765 /nfs/dbraw/zinc/30/77/65/564307765.db2.gz JKJUZLCVIFZCTC-MRXNPFEDSA-N 2 2 383.330 2.749 20 0 GFADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266645 564307769 /nfs/dbraw/zinc/30/77/69/564307769.db2.gz JKJUZLCVIFZCTC-MRXNPFEDSA-N 2 2 383.330 2.749 20 0 GFADLP CC(C)(C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874542 564348641 /nfs/dbraw/zinc/34/86/41/564348641.db2.gz MFOBHQHJHMBDIU-UHFFFAOYSA-N 2 2 383.290 2.656 20 0 GFADLP CC(C)(C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874542 564348647 /nfs/dbraw/zinc/34/86/47/564348647.db2.gz MFOBHQHJHMBDIU-UHFFFAOYSA-N 2 2 383.290 2.656 20 0 GFADLP Cc1nc(N2CC[NH+](CCOc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000545396136 564421838 /nfs/dbraw/zinc/42/18/38/564421838.db2.gz XGTULFQODCZWSI-UHFFFAOYSA-N 2 2 377.286 2.749 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)COCC(C)C)[nH+]c12 ZINC000514856860 564459905 /nfs/dbraw/zinc/45/99/05/564459905.db2.gz GXTHOJOIFNESDQ-MRXNPFEDSA-N 2 2 384.318 2.571 20 0 GFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232698 564464668 /nfs/dbraw/zinc/46/46/68/564464668.db2.gz PBUCWLDJNJDBNC-OAHLLOKOSA-N 2 2 389.359 2.988 20 0 GFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232698 564464671 /nfs/dbraw/zinc/46/46/71/564464671.db2.gz PBUCWLDJNJDBNC-OAHLLOKOSA-N 2 2 389.359 2.988 20 0 GFADLP Cc1csc(Sc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)n1 ZINC000570542768 564511492 /nfs/dbraw/zinc/51/14/92/564511492.db2.gz ZECUSLUEQDIHTJ-CQSZACIVSA-N 2 2 377.539 2.709 20 0 GFADLP Cc1csc(Sc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)n1 ZINC000570542768 564511494 /nfs/dbraw/zinc/51/14/94/564511494.db2.gz ZECUSLUEQDIHTJ-CQSZACIVSA-N 2 2 377.539 2.709 20 0 GFADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000574038719 564665503 /nfs/dbraw/zinc/66/55/03/564665503.db2.gz MGFIAPPIHFMVHH-KBRIMQKVSA-N 2 2 380.330 2.700 20 0 GFADLP Cc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000552065415 564675442 /nfs/dbraw/zinc/67/54/42/564675442.db2.gz XAUYATLDZDCDLQ-UHFFFAOYSA-N 2 2 382.346 2.839 20 0 GFADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000574571304 564680366 /nfs/dbraw/zinc/68/03/66/564680366.db2.gz DTQVHXKCQCZBNI-KBRIMQKVSA-N 2 2 380.330 2.830 20 0 GFADLP FC(F)(F)c1cnc(NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000578348163 564743398 /nfs/dbraw/zinc/74/33/98/564743398.db2.gz QTKMGYNUZRMFBC-KBPBESRZSA-N 2 2 378.826 2.522 20 0 GFADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000459441556 564744680 /nfs/dbraw/zinc/74/46/80/564744680.db2.gz YJQBOTSRSDLYTN-UHFFFAOYSA-N 2 2 381.293 2.682 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954500 564766152 /nfs/dbraw/zinc/76/61/52/564766152.db2.gz ZSAZBQSSKSBEPU-YOEHRIQHSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527954500 564766155 /nfs/dbraw/zinc/76/61/55/564766155.db2.gz ZSAZBQSSKSBEPU-YOEHRIQHSA-N 2 2 382.346 2.996 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@H](C[NH3+])C1 ZINC000528704583 564801449 /nfs/dbraw/zinc/80/14/49/564801449.db2.gz JRULUAWSMALYSD-CYBMUJFWSA-N 2 2 377.286 2.709 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@H](C[NH3+])C1 ZINC000528704583 564801453 /nfs/dbraw/zinc/80/14/53/564801453.db2.gz JRULUAWSMALYSD-CYBMUJFWSA-N 2 2 377.286 2.709 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000494476649 564831752 /nfs/dbraw/zinc/83/17/52/564831752.db2.gz QJVPHSIXODYANS-UHFFFAOYSA-N 2 2 394.357 2.716 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000494476649 564831755 /nfs/dbraw/zinc/83/17/55/564831755.db2.gz QJVPHSIXODYANS-UHFFFAOYSA-N 2 2 394.357 2.716 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495015111 564845901 /nfs/dbraw/zinc/84/59/01/564845901.db2.gz DZHFNVZUBOFSLP-DZGCQCFKSA-N 2 2 380.286 2.792 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495015111 564845904 /nfs/dbraw/zinc/84/59/04/564845904.db2.gz DZHFNVZUBOFSLP-DZGCQCFKSA-N 2 2 380.286 2.792 20 0 GFADLP Cc1cc(Br)cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000463592344 564885509 /nfs/dbraw/zinc/88/55/09/564885509.db2.gz RSNYYKHLBNQGLJ-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000463592344 564885515 /nfs/dbraw/zinc/88/55/15/564885515.db2.gz RSNYYKHLBNQGLJ-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441301 564892214 /nfs/dbraw/zinc/89/22/14/564892214.db2.gz VRTFLWWISANQDP-NUEKZKHPSA-N 2 2 391.313 2.982 20 0 GFADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441301 564892217 /nfs/dbraw/zinc/89/22/17/564892217.db2.gz VRTFLWWISANQDP-NUEKZKHPSA-N 2 2 391.313 2.982 20 0 GFADLP C[NH+](C)[C@@]1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCSC1 ZINC000530777320 564894062 /nfs/dbraw/zinc/89/40/62/564894062.db2.gz KYKWWRCBHKGUCD-QGZVFWFLSA-N 2 2 383.587 2.688 20 0 GFADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000558490851 564904367 /nfs/dbraw/zinc/90/43/67/564904367.db2.gz JNCYABJKZHKWRP-ZDUSSCGKSA-N 2 2 387.355 2.736 20 0 GFADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000558490851 564904370 /nfs/dbraw/zinc/90/43/70/564904370.db2.gz JNCYABJKZHKWRP-ZDUSSCGKSA-N 2 2 387.355 2.736 20 0 GFADLP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779361 564918242 /nfs/dbraw/zinc/91/82/42/564918242.db2.gz YHQKOYBNOBHRNF-QZTJIDSGSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779361 564918245 /nfs/dbraw/zinc/91/82/45/564918245.db2.gz YHQKOYBNOBHRNF-QZTJIDSGSA-N 2 2 381.611 2.998 20 0 GFADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000465706045 564931490 /nfs/dbraw/zinc/93/14/90/564931490.db2.gz VGHNRHOSLRIUAW-OAHLLOKOSA-N 2 2 394.317 2.723 20 0 GFADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000534602753 564992748 /nfs/dbraw/zinc/99/27/48/564992748.db2.gz KONNEMJQMCWMSV-XYPWUTKMSA-N 2 2 379.346 2.900 20 0 GFADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1Br ZINC000534602753 564992749 /nfs/dbraw/zinc/99/27/49/564992749.db2.gz KONNEMJQMCWMSV-XYPWUTKMSA-N 2 2 379.346 2.900 20 0 GFADLP C[N@@H+]1CC[C@H](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000635916484 565081784 /nfs/dbraw/zinc/08/17/84/565081784.db2.gz LHJKDFUFYZSMTK-CQSZACIVSA-N 2 2 395.301 2.609 20 0 GFADLP C[N@H+]1CC[C@H](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000635916484 565081788 /nfs/dbraw/zinc/08/17/88/565081788.db2.gz LHJKDFUFYZSMTK-CQSZACIVSA-N 2 2 395.301 2.609 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)ccc1Br ZINC000657434707 565101509 /nfs/dbraw/zinc/10/15/09/565101509.db2.gz CBUFOOACTFNMIZ-INIZCTEOSA-N 2 2 389.297 2.795 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486062 565104711 /nfs/dbraw/zinc/10/47/11/565104711.db2.gz XLLWZTOAMPZDLX-ZDUSSCGKSA-N 2 2 394.313 2.541 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1O ZINC000657751799 565126165 /nfs/dbraw/zinc/12/61/65/565126165.db2.gz KPEXAEPSZGECTB-CQSZACIVSA-N 2 2 385.302 2.506 20 0 GFADLP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855713 565133845 /nfs/dbraw/zinc/13/38/45/565133845.db2.gz GHRJRULXFZERPP-LBPRGKRZSA-N 2 2 377.838 2.653 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccs1 ZINC000590150348 565179203 /nfs/dbraw/zinc/17/92/03/565179203.db2.gz WUCCFOIPONMQHI-LLVKDONJSA-N 2 2 375.420 2.609 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000659626288 565221393 /nfs/dbraw/zinc/22/13/93/565221393.db2.gz AEKSVCHYTFABKP-RDJZCZTQSA-N 2 2 395.345 2.501 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000659626286 565221583 /nfs/dbraw/zinc/22/15/83/565221583.db2.gz AEKSVCHYTFABKP-DOTOQJQBSA-N 2 2 395.345 2.501 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000639168938 565230688 /nfs/dbraw/zinc/23/06/88/565230688.db2.gz FBMFFBFSPXNJDT-UHFFFAOYSA-N 2 2 385.339 2.562 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000617507271 565243985 /nfs/dbraw/zinc/24/39/85/565243985.db2.gz PARPOVCTPMGURV-LBPRGKRZSA-N 2 2 383.949 2.793 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000617507271 565243987 /nfs/dbraw/zinc/24/39/87/565243987.db2.gz PARPOVCTPMGURV-LBPRGKRZSA-N 2 2 383.949 2.793 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298750 565359238 /nfs/dbraw/zinc/35/92/38/565359238.db2.gz XKWQUAKPDATIST-SUMWQHHRSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298750 565359243 /nfs/dbraw/zinc/35/92/43/565359243.db2.gz XKWQUAKPDATIST-SUMWQHHRSA-N 2 2 398.320 2.826 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000662442444 565368881 /nfs/dbraw/zinc/36/88/81/565368881.db2.gz UWGJQCTWDFTIGX-VIFPVBQESA-N 2 2 381.299 2.857 20 0 GFADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662487026 565371555 /nfs/dbraw/zinc/37/15/55/565371555.db2.gz OYTGLZMLGQAAHO-KRWDZBQOSA-N 2 2 388.339 2.823 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548341 565435635 /nfs/dbraw/zinc/43/56/35/565435635.db2.gz OAXHPWRLCWVUQX-WDEREUQCSA-N 2 2 392.352 2.966 20 0 GFADLP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000596437810 565524493 /nfs/dbraw/zinc/52/44/93/565524493.db2.gz DUYAJAQXYATLBD-UHFFFAOYSA-N 2 2 385.339 2.915 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606904 /nfs/dbraw/zinc/60/69/04/565606904.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 2 380.330 2.976 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606906 /nfs/dbraw/zinc/60/69/06/565606906.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606911 /nfs/dbraw/zinc/60/69/11/565606911.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606916 /nfs/dbraw/zinc/60/69/16/565606916.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 2 380.330 2.976 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000647249197 565649243 /nfs/dbraw/zinc/64/92/43/565649243.db2.gz ISIKHCFLZKODIM-CVEARBPZSA-N 2 2 377.330 2.926 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1Br ZINC000647249197 565649247 /nfs/dbraw/zinc/64/92/47/565649247.db2.gz ISIKHCFLZKODIM-CVEARBPZSA-N 2 2 377.330 2.926 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1O ZINC000668692661 565662101 /nfs/dbraw/zinc/66/21/01/565662101.db2.gz LEGSQUOCYMFXOL-AWEZNQCLSA-N 2 2 385.302 2.506 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1O ZINC000668692662 565662531 /nfs/dbraw/zinc/66/25/31/565662531.db2.gz LEGSQUOCYMFXOL-CQSZACIVSA-N 2 2 385.302 2.506 20 0 GFADLP COC(=O)[C@]1([NH2+]CCn2cc[nH+]c2C)CCc2cc(Br)ccc2C1 ZINC000599595149 565691233 /nfs/dbraw/zinc/69/12/33/565691233.db2.gz SROPKNCIPLXDTK-SFHVURJKSA-N 2 2 392.297 2.644 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)n1 ZINC000629652226 565864979 /nfs/dbraw/zinc/86/49/79/565864979.db2.gz CVMYVFAWOHLZRI-UHFFFAOYSA-N 2 2 391.191 2.712 20 0 GFADLP C[NH2+]C1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1 ZINC000630002587 565879018 /nfs/dbraw/zinc/87/90/18/565879018.db2.gz WVDSIZOCBWBAEO-MRXNPFEDSA-N 2 2 380.330 2.844 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345440 565923283 /nfs/dbraw/zinc/92/32/83/565923283.db2.gz BWJPNCUELRBTER-VBQJREDUSA-N 2 2 396.329 2.606 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345440 565923288 /nfs/dbraw/zinc/92/32/88/565923288.db2.gz BWJPNCUELRBTER-VBQJREDUSA-N 2 2 396.329 2.606 20 0 GFADLP COc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631180301 565947323 /nfs/dbraw/zinc/94/73/23/565947323.db2.gz PUAGZAAIVXYTPK-UHFFFAOYSA-N 2 2 388.325 2.666 20 0 GFADLP COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631180301 565947326 /nfs/dbraw/zinc/94/73/26/565947326.db2.gz PUAGZAAIVXYTPK-UHFFFAOYSA-N 2 2 388.325 2.666 20 0 GFADLP Cc1c(Br)csc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258631 565951021 /nfs/dbraw/zinc/95/10/21/565951021.db2.gz CKVANWLQGDEYGX-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1c(Br)csc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258631 565951026 /nfs/dbraw/zinc/95/10/26/565951026.db2.gz CKVANWLQGDEYGX-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000653090513 565953934 /nfs/dbraw/zinc/95/39/34/565953934.db2.gz RNQJUMLKHBONQK-SECBINFHSA-N 2 2 389.344 2.852 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248494 565966795 /nfs/dbraw/zinc/96/67/95/565966795.db2.gz XQLMEGLKDZWWIH-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248494 565966798 /nfs/dbraw/zinc/96/67/98/565966798.db2.gz XQLMEGLKDZWWIH-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678767750 566019725 /nfs/dbraw/zinc/01/97/25/566019725.db2.gz QMYMKVIEHKHQBH-SJCJKPOMSA-N 2 2 398.370 2.596 20 0 GFADLP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737664676 598829485 /nfs/dbraw/zinc/82/94/85/598829485.db2.gz DEYNDCMQXPOBKX-UHFFFAOYSA-N 2 2 389.438 2.876 20 0 GFADLP C[C@@H](c1ccncc1)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736202291 598701391 /nfs/dbraw/zinc/70/13/91/598701391.db2.gz IKKQZNGOTUYIOQ-HNNXBMFYSA-N 2 2 386.463 2.693 20 0 GFADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821628361 599463226 /nfs/dbraw/zinc/46/32/26/599463226.db2.gz HFHMQNJWLUBJBK-UHFFFAOYSA-N 2 2 397.914 2.562 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826181638 607636939 /nfs/dbraw/zinc/63/69/39/607636939.db2.gz IIHYDLWNCGHUDK-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826181638 607636941 /nfs/dbraw/zinc/63/69/41/607636941.db2.gz IIHYDLWNCGHUDK-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826181638 607636943 /nfs/dbraw/zinc/63/69/43/607636943.db2.gz IIHYDLWNCGHUDK-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826181638 607636944 /nfs/dbraw/zinc/63/69/44/607636944.db2.gz IIHYDLWNCGHUDK-SFHVURJKSA-N 2 2 392.507 2.829 20 0 GFADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C[C@@H](C)O1 ZINC000820761748 606407600 /nfs/dbraw/zinc/40/76/00/606407600.db2.gz ZEAGMXVVXJGMLY-HUUCEWRRSA-N 2 2 398.536 2.827 20 0 GFADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822766667 606997815 /nfs/dbraw/zinc/99/78/15/606997815.db2.gz MQMQMGYVPLCXQA-UHFFFAOYSA-N 2 2 380.471 2.803 20 0 GFADLP C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607168 607069881 /nfs/dbraw/zinc/06/98/81/607069881.db2.gz BXOADZLNGGCKOQ-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607168 607069883 /nfs/dbraw/zinc/06/98/83/607069883.db2.gz BXOADZLNGGCKOQ-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607168 607069885 /nfs/dbraw/zinc/06/98/85/607069885.db2.gz BXOADZLNGGCKOQ-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(F)ccc1-c1nn[nH]n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821607168 607069888 /nfs/dbraw/zinc/06/98/88/607069888.db2.gz BXOADZLNGGCKOQ-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954043 654992688 /nfs/dbraw/zinc/99/26/88/654992688.db2.gz VTOBGBJHEJHPJA-CABCVRRESA-N 2 2 398.370 2.915 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954043 654992690 /nfs/dbraw/zinc/99/26/90/654992690.db2.gz VTOBGBJHEJHPJA-CABCVRRESA-N 2 2 398.370 2.915 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCSC1 ZINC000268997678 654994362 /nfs/dbraw/zinc/99/43/62/654994362.db2.gz TZELIRLIXOXFLQ-LJQANCHMSA-N 2 2 381.973 2.972 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132806 655017578 /nfs/dbraw/zinc/01/75/78/655017578.db2.gz VNXIONJAFDZPTQ-CYBMUJFWSA-N 2 2 388.375 2.731 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)c(OC)s3)C2)CC1 ZINC000093132806 655017581 /nfs/dbraw/zinc/01/75/81/655017581.db2.gz VNXIONJAFDZPTQ-CYBMUJFWSA-N 2 2 388.375 2.731 20 0 GFADLP C[N@H+]1CC=C(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000271993189 655100444 /nfs/dbraw/zinc/10/04/44/655100444.db2.gz QDUDGHHKFATWEU-SFHVURJKSA-N 2 2 392.341 2.964 20 0 GFADLP C[N@@H+]1CC=C(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000271993189 655100446 /nfs/dbraw/zinc/10/04/46/655100446.db2.gz QDUDGHHKFATWEU-SFHVURJKSA-N 2 2 392.341 2.964 20 0 GFADLP COc1sc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192299 655509761 /nfs/dbraw/zinc/50/97/61/655509761.db2.gz IQOWXUMTZBYHPZ-NSHDSACASA-N 2 2 375.332 2.707 20 0 GFADLP COc1sc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192299 655509762 /nfs/dbraw/zinc/50/97/62/655509762.db2.gz IQOWXUMTZBYHPZ-NSHDSACASA-N 2 2 375.332 2.707 20 0 GFADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000752254206 655841581 /nfs/dbraw/zinc/84/15/81/655841581.db2.gz PYWHMPUMDFBPSP-LBPRGKRZSA-N 2 2 388.368 2.867 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104915 661233747 /nfs/dbraw/zinc/23/37/47/661233747.db2.gz WPQCURFULUJETO-GDBMZVCRSA-N 2 2 393.329 2.815 20 0 GFADLP CCc1sc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000855414575 661991190 /nfs/dbraw/zinc/99/11/90/661991190.db2.gz HXTIYDYMZBSWDX-UHFFFAOYSA-N 2 2 376.364 2.686 20 0 GFADLP CCc1sc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000855414575 661991197 /nfs/dbraw/zinc/99/11/97/661991197.db2.gz HXTIYDYMZBSWDX-UHFFFAOYSA-N 2 2 376.364 2.686 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034507 662754315 /nfs/dbraw/zinc/75/43/15/662754315.db2.gz PIBRBHPOCDRAPE-LULLPPNCSA-N 2 2 395.341 2.980 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034507 662754318 /nfs/dbraw/zinc/75/43/18/662754318.db2.gz PIBRBHPOCDRAPE-LULLPPNCSA-N 2 2 395.341 2.980 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)c[nH+]c12 ZINC000873227043 662804177 /nfs/dbraw/zinc/80/41/77/662804177.db2.gz BHSXSBYUGHWEEU-ZWNOBZJWSA-N 2 2 391.235 2.974 20 0 GFADLP Cc1ccnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1Br ZINC000877527186 662878074 /nfs/dbraw/zinc/87/80/74/662878074.db2.gz IDPKDXVLDOHLEA-SJPCQFCGSA-N 2 2 393.373 2.895 20 0 GFADLP Cc1ccnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1Br ZINC000877527186 662878076 /nfs/dbraw/zinc/87/80/76/662878076.db2.gz IDPKDXVLDOHLEA-SJPCQFCGSA-N 2 2 393.373 2.895 20 0 GFADLP C[NH+]1CCN(C2CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)CC1 ZINC000877745905 662882743 /nfs/dbraw/zinc/88/27/43/662882743.db2.gz CRALEQBTWMLPIW-UHFFFAOYSA-N 2 2 393.329 2.802 20 0 GFADLP C[NH+]1CCN(C2CC[NH+](CCOc3ccccc3Br)CC2)CC1 ZINC000879594113 662930238 /nfs/dbraw/zinc/93/02/38/662930238.db2.gz XVURZQSMWQMFRY-UHFFFAOYSA-N 2 2 382.346 2.540 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153309 663363555 /nfs/dbraw/zinc/36/35/55/663363555.db2.gz NXIAHBBSYVJGQW-UKRRQHHQSA-N 2 2 376.492 2.706 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153309 663363560 /nfs/dbraw/zinc/36/35/60/663363560.db2.gz NXIAHBBSYVJGQW-UKRRQHHQSA-N 2 2 376.492 2.706 20 0 GFADLP Oc1cc(Br)cnc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000895308476 663507456 /nfs/dbraw/zinc/50/74/56/663507456.db2.gz JKMZMRMSGNKHAY-UHFFFAOYSA-N 2 2 384.318 2.530 20 0 GFADLP Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895359556 663509724 /nfs/dbraw/zinc/50/97/24/663509724.db2.gz HJGKZMCLNHEEFI-HNNXBMFYSA-N 2 2 384.977 2.845 20 0 GFADLP Clc1nc(N2CCOCC2)sc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895359556 663509727 /nfs/dbraw/zinc/50/97/27/663509727.db2.gz HJGKZMCLNHEEFI-HNNXBMFYSA-N 2 2 384.977 2.845 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cc(Br)ccc21 ZINC000925844963 664675738 /nfs/dbraw/zinc/67/57/38/664675738.db2.gz JJENDAYHPDHJIY-DJIMGWMZSA-N 2 2 399.354 2.789 20 0 GFADLP Cc1nnc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000930447505 664770605 /nfs/dbraw/zinc/77/06/05/664770605.db2.gz ZMIZWCZAXAMXQS-UHFFFAOYSA-N 2 2 380.246 2.675 20 0 GFADLP Cc1nnc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000930447505 664770606 /nfs/dbraw/zinc/77/06/06/664770606.db2.gz ZMIZWCZAXAMXQS-UHFFFAOYSA-N 2 2 380.246 2.675 20 0 GFADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CCC(=O)N4c3ccccc3)[nH+]2)CC1 ZINC001164844516 720765611 /nfs/dbraw/zinc/76/56/11/720765611.db2.gz CFPPHSFMOPVLFJ-UXHICEINSA-N 2 2 391.519 2.608 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744012 720851698 /nfs/dbraw/zinc/85/16/98/720851698.db2.gz BFOOYJRGMPKVDN-SLFFLAALSA-N 2 2 393.539 2.633 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744012 720851699 /nfs/dbraw/zinc/85/16/99/720851699.db2.gz BFOOYJRGMPKVDN-SLFFLAALSA-N 2 2 393.539 2.633 20 0 GFADLP Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164749918 720874801 /nfs/dbraw/zinc/87/48/01/720874801.db2.gz ICEYJUKQTVPLFQ-OFNKIYASSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164749918 720874804 /nfs/dbraw/zinc/87/48/04/720874804.db2.gz ICEYJUKQTVPLFQ-OFNKIYASSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164749924 720874850 /nfs/dbraw/zinc/87/48/50/720874850.db2.gz ICEYJUKQTVPLFQ-REWPJTCUSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164749924 720874853 /nfs/dbraw/zinc/87/48/53/720874853.db2.gz ICEYJUKQTVPLFQ-REWPJTCUSA-N 2 2 393.535 2.814 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2)CC1 ZINC001164784317 721434817 /nfs/dbraw/zinc/43/48/17/721434817.db2.gz LAZBAYRWLKWZOX-IRXDYDNUSA-N 3 2 399.564 2.579 20 0 GFADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924305 721867900 /nfs/dbraw/zinc/86/79/00/721867900.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924305 721867902 /nfs/dbraw/zinc/86/79/02/721867902.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924305 721867905 /nfs/dbraw/zinc/86/79/05/721867905.db2.gz KSJZEPGZKUPEBQ-ROUUACIJSA-N 2 2 377.964 2.545 20 0 GFADLP C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001165041866 721950333 /nfs/dbraw/zinc/95/03/33/721950333.db2.gz APBNBLIEQQZZAH-UHFFFAOYSA-N 2 2 380.540 2.581 20 0 GFADLP C[NH+](C)CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001165041866 721950336 /nfs/dbraw/zinc/95/03/36/721950336.db2.gz APBNBLIEQQZZAH-UHFFFAOYSA-N 2 2 380.540 2.581 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[NH+](CCOc4ccccc4)CC3)c2)CC1 ZINC001165045004 721961248 /nfs/dbraw/zinc/96/12/48/721961248.db2.gz RVVIJINPAAFGNU-UHFFFAOYSA-N 3 2 396.535 2.756 20 0 GFADLP CCc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(C)[nH+]1 ZINC001164961730 722059854 /nfs/dbraw/zinc/05/98/54/722059854.db2.gz ORSSBIUABLYBIE-UHFFFAOYSA-N 2 2 381.524 2.861 20 0 GFADLP CCc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(C)[nH+]1 ZINC001164961730 722059857 /nfs/dbraw/zinc/05/98/57/722059857.db2.gz ORSSBIUABLYBIE-UHFFFAOYSA-N 2 2 381.524 2.861 20 0 GFADLP Cc1cc(N2CCC(N(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000359942290 206272538 /nfs/dbraw/zinc/27/25/38/206272538.db2.gz SVLRAQXEZIODJL-OAQYLSRUSA-N 2 2 381.524 2.824 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000050802308 551161637 /nfs/dbraw/zinc/16/16/37/551161637.db2.gz IALCREKYKVGOTN-UHFFFAOYSA-N 2 2 394.357 2.666 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153116420 551446752 /nfs/dbraw/zinc/44/67/52/551446752.db2.gz RLTXJTZNJHFEAD-LSDHHAIUSA-N 2 2 398.345 2.724 20 0 GFADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000154045526 551465955 /nfs/dbraw/zinc/46/59/55/551465955.db2.gz VUGNTVHHAURAPI-QGZVFWFLSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3SCCc4sccc43)CC2)CC1 ZINC000172929820 551690288 /nfs/dbraw/zinc/69/02/88/551690288.db2.gz UPMVVZVDXFTLDW-GOSISDBHSA-N 2 2 379.595 2.753 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000177151296 552150622 /nfs/dbraw/zinc/15/06/22/552150622.db2.gz MJYQADTXYUPMDR-ZWKOTPCHSA-N 2 2 394.357 2.695 20 0 GFADLP CC(C)[C@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CC[NH+](C)CC1 ZINC000179200795 552186877 /nfs/dbraw/zinc/18/68/77/552186877.db2.gz DRLRQCTVJSASGF-OLZOCXBDSA-N 2 2 375.380 2.828 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000182244844 552279397 /nfs/dbraw/zinc/27/93/97/552279397.db2.gz AHTKEXOUQZMUSR-UHFFFAOYSA-N 2 2 396.285 2.686 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075428 552549501 /nfs/dbraw/zinc/54/95/01/552549501.db2.gz WCSBMVFCVREBSB-MRXNPFEDSA-N 2 2 377.286 2.773 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000192075428 552549503 /nfs/dbraw/zinc/54/95/03/552549503.db2.gz WCSBMVFCVREBSB-MRXNPFEDSA-N 2 2 377.286 2.773 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000193910793 553006632 /nfs/dbraw/zinc/00/66/32/553006632.db2.gz DUQYCJJCGRDXTN-UHFFFAOYSA-N 2 2 394.368 2.640 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000193910793 553006634 /nfs/dbraw/zinc/00/66/34/553006634.db2.gz DUQYCJJCGRDXTN-UHFFFAOYSA-N 2 2 394.368 2.640 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295177842 563233408 /nfs/dbraw/zinc/23/34/08/563233408.db2.gz VFXPSAXEOLRKII-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295177842 563233412 /nfs/dbraw/zinc/23/34/12/563233412.db2.gz VFXPSAXEOLRKII-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000419692203 563246334 /nfs/dbraw/zinc/24/63/34/563246334.db2.gz GJAXZHJKYSLCRB-AWEZNQCLSA-N 2 2 382.295 2.688 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095530 563322341 /nfs/dbraw/zinc/32/23/41/563322341.db2.gz MSWDXMKDOCKDJB-QWRGUYRKSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095530 563322343 /nfs/dbraw/zinc/32/23/43/563322343.db2.gz MSWDXMKDOCKDJB-QWRGUYRKSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000373567476 563342362 /nfs/dbraw/zinc/34/23/62/563342362.db2.gz IVHHRXQHWFYBFI-KRWDZBQOSA-N 2 2 396.373 2.850 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000373567476 563342364 /nfs/dbraw/zinc/34/23/64/563342364.db2.gz IVHHRXQHWFYBFI-KRWDZBQOSA-N 2 2 396.373 2.850 20 0 GFADLP Cc1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1Br ZINC000373739335 563348844 /nfs/dbraw/zinc/34/88/44/563348844.db2.gz WQDGTDIRPWAQTP-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1Br ZINC000373739335 563348848 /nfs/dbraw/zinc/34/88/48/563348848.db2.gz WQDGTDIRPWAQTP-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCC[NH2+]1 ZINC000422907474 563350888 /nfs/dbraw/zinc/35/08/88/563350888.db2.gz LHOLEKLGMHEAKB-WMLDXEAASA-N 2 2 382.346 2.918 20 0 GFADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423106034 563355719 /nfs/dbraw/zinc/35/57/19/563355719.db2.gz JFIAWEVNWLTBPQ-XFBWCDHKSA-N 2 2 375.257 2.974 20 0 GFADLP Brc1cncc(Br)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423157582 563357899 /nfs/dbraw/zinc/35/78/99/563357899.db2.gz MQVGCBIMBRKOHV-ULKQDVFKSA-N 2 2 375.108 2.979 20 0 GFADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512523 563362193 /nfs/dbraw/zinc/36/21/93/563362193.db2.gz UVGOUDKTXFFLKU-HUUCEWRRSA-N 2 2 387.343 2.775 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375002744 563388050 /nfs/dbraw/zinc/38/80/50/563388050.db2.gz DHYANUBXDWZLLJ-CQSZACIVSA-N 2 2 379.551 2.711 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c[nH+]c12 ZINC000283960160 563460439 /nfs/dbraw/zinc/46/04/39/563460439.db2.gz KOUGJBZUINAXFH-HIFRSBDPSA-N 2 2 384.318 2.653 20 0 GFADLP Cc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000378369965 563504583 /nfs/dbraw/zinc/50/45/83/563504583.db2.gz LBZUZDMUTPEDIV-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1Br ZINC000378369965 563504586 /nfs/dbraw/zinc/50/45/86/563504586.db2.gz LBZUZDMUTPEDIV-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368090 563504708 /nfs/dbraw/zinc/50/47/08/563504708.db2.gz UHFYJPSHGMPHQN-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(F)ccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368090 563504711 /nfs/dbraw/zinc/50/47/11/563504711.db2.gz UHFYJPSHGMPHQN-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cscc3Br)CC2)CC1 ZINC000285901495 563541929 /nfs/dbraw/zinc/54/19/29/563541929.db2.gz GXASNJAVJVLAPN-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435373015 563648738 /nfs/dbraw/zinc/64/87/38/563648738.db2.gz CSDWDTUCYMEGNR-ZIAGYGMSSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435373015 563648741 /nfs/dbraw/zinc/64/87/41/563648741.db2.gz CSDWDTUCYMEGNR-ZIAGYGMSSA-N 2 2 399.329 2.869 20 0 GFADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000289592306 563680086 /nfs/dbraw/zinc/68/00/86/563680086.db2.gz UGMUIMSWGSZZMB-AWEZNQCLSA-N 2 2 393.329 2.687 20 0 GFADLP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1Br ZINC000289706796 563684337 /nfs/dbraw/zinc/68/43/37/563684337.db2.gz GKHHSUOSDQLEMR-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000289967029 563692797 /nfs/dbraw/zinc/69/27/97/563692797.db2.gz YWWRNLYBSAZVRE-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@H+](C)C1 ZINC000413490751 563694725 /nfs/dbraw/zinc/69/47/25/563694725.db2.gz AHOYEPNNEFRCRH-NSHDSACASA-N 2 2 396.260 2.677 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@@H+](C)C1 ZINC000413490751 563694728 /nfs/dbraw/zinc/69/47/28/563694728.db2.gz AHOYEPNNEFRCRH-NSHDSACASA-N 2 2 396.260 2.677 20 0 GFADLP Cc1ccc(Br)c(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000414250529 563723297 /nfs/dbraw/zinc/72/32/97/563723297.db2.gz GHXVJCWBIXDTMO-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1ccc(Br)c(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000414250529 563723300 /nfs/dbraw/zinc/72/33/00/563723300.db2.gz GHXVJCWBIXDTMO-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccc1)C[C@H](O)C[NH3+] ZINC000415066451 563757784 /nfs/dbraw/zinc/75/77/84/563757784.db2.gz IQYZPCFZMHIHNK-QGZVFWFLSA-N 2 2 379.298 2.780 20 0 GFADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccc1)C[C@H](O)C[NH3+] ZINC000415066451 563757788 /nfs/dbraw/zinc/75/77/88/563757788.db2.gz IQYZPCFZMHIHNK-QGZVFWFLSA-N 2 2 379.298 2.780 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118789 563759466 /nfs/dbraw/zinc/75/94/66/563759466.db2.gz DZRXDXOTXVWFKE-GDBMZVCRSA-N 2 2 382.346 2.702 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118789 563759469 /nfs/dbraw/zinc/75/94/69/563759469.db2.gz DZRXDXOTXVWFKE-GDBMZVCRSA-N 2 2 382.346 2.702 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135266 563760421 /nfs/dbraw/zinc/76/04/21/563760421.db2.gz FUPCVZGXAZESHX-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135266 563760424 /nfs/dbraw/zinc/76/04/24/563760424.db2.gz FUPCVZGXAZESHX-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365278297 563779686 /nfs/dbraw/zinc/77/96/86/563779686.db2.gz KRKKDZXNRDSIDK-YJBOKZPZSA-N 2 2 387.615 2.857 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365278297 563779691 /nfs/dbraw/zinc/77/96/91/563779691.db2.gz KRKKDZXNRDSIDK-YJBOKZPZSA-N 2 2 387.615 2.857 20 0 GFADLP CN(C(=O)NCCc1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368390199 563869896 /nfs/dbraw/zinc/86/98/96/563869896.db2.gz OGKQYQUYPGHRHO-HNNXBMFYSA-N 2 2 384.977 2.754 20 0 GFADLP CN(C(=O)NCCc1ccc(Cl)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368390199 563869900 /nfs/dbraw/zinc/86/99/00/563869900.db2.gz OGKQYQUYPGHRHO-HNNXBMFYSA-N 2 2 384.977 2.754 20 0 GFADLP CN(C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417225668 563874145 /nfs/dbraw/zinc/87/41/45/563874145.db2.gz SNPDOZLSUHKCPG-NNQSOWQGSA-N 2 2 392.301 2.521 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000449173958 563907896 /nfs/dbraw/zinc/90/78/96/563907896.db2.gz OPMOMWONBMEUFE-HEHGZKQESA-N 2 2 398.345 2.535 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000449173958 563907898 /nfs/dbraw/zinc/90/78/98/563907898.db2.gz OPMOMWONBMEUFE-HEHGZKQESA-N 2 2 398.345 2.535 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449390421 564183985 /nfs/dbraw/zinc/18/39/85/564183985.db2.gz WATFZBXNBIRKTF-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449390421 564183987 /nfs/dbraw/zinc/18/39/87/564183987.db2.gz WATFZBXNBIRKTF-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388740 564184066 /nfs/dbraw/zinc/18/40/66/564184066.db2.gz BBEYVNMODNPSHW-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388740 564184068 /nfs/dbraw/zinc/18/40/68/564184068.db2.gz BBEYVNMODNPSHW-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358129 564187746 /nfs/dbraw/zinc/18/77/46/564187746.db2.gz YRELYZVJJAPPNL-JKSUJKDBSA-N 2 2 377.298 2.568 20 0 GFADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358129 564187747 /nfs/dbraw/zinc/18/77/47/564187747.db2.gz YRELYZVJJAPPNL-JKSUJKDBSA-N 2 2 377.298 2.568 20 0 GFADLP Cc1cccc(Cl)c1S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000563386728 564189165 /nfs/dbraw/zinc/18/91/65/564189165.db2.gz RXWJVVZNWWGHAX-UHFFFAOYSA-N 2 2 380.901 2.596 20 0 GFADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1F ZINC000540066382 564239191 /nfs/dbraw/zinc/23/91/91/564239191.db2.gz SRZHYNPXIPADTR-UHFFFAOYSA-N 2 2 386.309 2.573 20 0 GFADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1F ZINC000540066382 564239192 /nfs/dbraw/zinc/23/91/92/564239192.db2.gz SRZHYNPXIPADTR-UHFFFAOYSA-N 2 2 386.309 2.573 20 0 GFADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000541381381 564276619 /nfs/dbraw/zinc/27/66/19/564276619.db2.gz ZPOVRKMKRLTOGQ-OAHLLOKOSA-N 2 2 378.567 2.584 20 0 GFADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000541381381 564276620 /nfs/dbraw/zinc/27/66/20/564276620.db2.gz ZPOVRKMKRLTOGQ-OAHLLOKOSA-N 2 2 378.567 2.584 20 0 GFADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000541381380 564277191 /nfs/dbraw/zinc/27/71/91/564277191.db2.gz ZPOVRKMKRLTOGQ-HNNXBMFYSA-N 2 2 378.567 2.584 20 0 GFADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000541381380 564277196 /nfs/dbraw/zinc/27/71/96/564277196.db2.gz ZPOVRKMKRLTOGQ-HNNXBMFYSA-N 2 2 378.567 2.584 20 0 GFADLP COc1cc(Br)ccc1CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000542203525 564303806 /nfs/dbraw/zinc/30/38/06/564303806.db2.gz DGFIRXDSUKIKRY-UHFFFAOYSA-N 2 2 393.329 2.946 20 0 GFADLP O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000451967278 564373221 /nfs/dbraw/zinc/37/32/21/564373221.db2.gz QPMAULBAOYLHPN-IBGZPJMESA-N 2 2 379.595 2.611 20 0 GFADLP COc1cc(Br)ccc1CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000544143188 564376821 /nfs/dbraw/zinc/37/68/21/564376821.db2.gz UQTHWKDLFQUTSR-UHFFFAOYSA-N 2 2 393.329 2.931 20 0 GFADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@@H]21 ZINC000452973132 564439822 /nfs/dbraw/zinc/43/98/22/564439822.db2.gz JPGPTNZBKWGKIS-BPQIPLTHSA-N 2 2 392.341 2.749 20 0 GFADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@@H]21 ZINC000452973132 564439824 /nfs/dbraw/zinc/43/98/24/564439824.db2.gz JPGPTNZBKWGKIS-BPQIPLTHSA-N 2 2 392.341 2.749 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279531 564452228 /nfs/dbraw/zinc/45/22/28/564452228.db2.gz FWHDYVJHBFZQKC-KGLIPLIRSA-N 2 2 377.501 2.611 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262287 564467099 /nfs/dbraw/zinc/46/70/99/564467099.db2.gz JREAKWNAVDZVQR-DZKIICNBSA-N 2 2 399.354 2.884 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc21 ZINC000480262287 564467102 /nfs/dbraw/zinc/46/71/02/564467102.db2.gz JREAKWNAVDZVQR-DZKIICNBSA-N 2 2 399.354 2.884 20 0 GFADLP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)c1O ZINC000546973881 564476403 /nfs/dbraw/zinc/47/64/03/564476403.db2.gz PWTXUUMJBDXVCQ-UHFFFAOYSA-N 2 2 387.318 2.706 20 0 GFADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000516488254 564503161 /nfs/dbraw/zinc/50/31/61/564503161.db2.gz KBEFXPLLBTXFAX-UHFFFAOYSA-N 2 2 383.359 2.995 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547979827 564526247 /nfs/dbraw/zinc/52/62/47/564526247.db2.gz QBVMGGIEYZVVAV-WFASDCNBSA-N 2 2 377.286 2.967 20 0 GFADLP Cc1ncc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000455812688 564572209 /nfs/dbraw/zinc/57/22/09/564572209.db2.gz YFKUTTCYHMPLGY-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1ncc(Br)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000455812688 564572214 /nfs/dbraw/zinc/57/22/14/564572214.db2.gz YFKUTTCYHMPLGY-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455857818 564574980 /nfs/dbraw/zinc/57/49/80/564574980.db2.gz ARBPXJQFRNDEPM-GFCCVEGCSA-N 2 2 384.322 2.716 20 0 GFADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455857818 564574981 /nfs/dbraw/zinc/57/49/81/564574981.db2.gz ARBPXJQFRNDEPM-GFCCVEGCSA-N 2 2 384.322 2.716 20 0 GFADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519825876 564592308 /nfs/dbraw/zinc/59/23/08/564592308.db2.gz NTSMUBDQBAYGOJ-JKIFEVAISA-N 2 2 380.330 2.782 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000572964684 564617561 /nfs/dbraw/zinc/61/75/61/564617561.db2.gz VMZOUDOCKPTEFF-UHFFFAOYSA-N 2 2 384.933 2.659 20 0 GFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000575742470 564703171 /nfs/dbraw/zinc/70/31/71/564703171.db2.gz GZWPFXBNGLOTEV-INIZCTEOSA-N 2 2 383.261 2.864 20 0 GFADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000576827746 564720368 /nfs/dbraw/zinc/72/03/68/564720368.db2.gz ZXLZLTWDPVHZHV-ZDUSSCGKSA-N 2 2 395.276 2.596 20 0 GFADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000576827746 564720373 /nfs/dbraw/zinc/72/03/73/564720373.db2.gz ZXLZLTWDPVHZHV-ZDUSSCGKSA-N 2 2 395.276 2.596 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037680 564785144 /nfs/dbraw/zinc/78/51/44/564785144.db2.gz PWANUXBCTDEASD-QGZVFWFLSA-N 2 2 398.345 2.724 20 0 GFADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037680 564785149 /nfs/dbraw/zinc/78/51/49/564785149.db2.gz PWANUXBCTDEASD-QGZVFWFLSA-N 2 2 398.345 2.724 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369035 564790451 /nfs/dbraw/zinc/79/04/51/564790451.db2.gz XNKZCWFBPMDKEY-GHMZBOCLSA-N 2 2 380.341 2.633 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369035 564790454 /nfs/dbraw/zinc/79/04/54/564790454.db2.gz XNKZCWFBPMDKEY-GHMZBOCLSA-N 2 2 380.341 2.633 20 0 GFADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581883179 564821577 /nfs/dbraw/zinc/82/15/77/564821577.db2.gz OUWKFHKEMOYHME-YOEHRIQHSA-N 2 2 380.330 2.702 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000534846634 564998227 /nfs/dbraw/zinc/99/82/27/564998227.db2.gz VELIGAAXYDOPJJ-XMMPIXPASA-N 2 2 387.336 2.657 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000584499419 565084449 /nfs/dbraw/zinc/08/44/49/565084449.db2.gz KTKMSVQDFDFOAP-YPMHNXCESA-N 2 2 396.310 2.538 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc21 ZINC000584499419 565084451 /nfs/dbraw/zinc/08/44/51/565084451.db2.gz KTKMSVQDFDFOAP-YPMHNXCESA-N 2 2 396.310 2.538 20 0 GFADLP C[NH+]1CCN(c2ccc(NCc3c(F)cncc3Br)[nH+]c2)CC1 ZINC000657322527 565097932 /nfs/dbraw/zinc/09/79/32/565097932.db2.gz RBIFRZYJTVFFTO-UHFFFAOYSA-N 2 2 380.265 2.742 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614441430 565113817 /nfs/dbraw/zinc/11/38/17/565113817.db2.gz ZSTVYNNJFZXLJG-QGZVFWFLSA-N 2 2 391.313 2.769 20 0 GFADLP C[N@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000614441430 565113821 /nfs/dbraw/zinc/11/38/21/565113821.db2.gz ZSTVYNNJFZXLJG-QGZVFWFLSA-N 2 2 391.313 2.769 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000659287277 565210771 /nfs/dbraw/zinc/21/07/71/565210771.db2.gz YJYBJGJGICAGRY-RDJZCZTQSA-N 2 2 388.339 2.727 20 0 GFADLP CO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534732 565281241 /nfs/dbraw/zinc/28/12/41/565281241.db2.gz HSJNDLUDIUTCPT-GOEBONIOSA-N 2 2 398.301 2.792 20 0 GFADLP CO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534732 565281246 /nfs/dbraw/zinc/28/12/46/565281246.db2.gz HSJNDLUDIUTCPT-GOEBONIOSA-N 2 2 398.301 2.792 20 0 GFADLP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662277009 565358148 /nfs/dbraw/zinc/35/81/48/565358148.db2.gz CJPPLIUGVOACMO-GOSISDBHSA-N 2 2 388.309 2.753 20 0 GFADLP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000662277009 565358151 /nfs/dbraw/zinc/35/81/51/565358151.db2.gz CJPPLIUGVOACMO-GOSISDBHSA-N 2 2 388.309 2.753 20 0 GFADLP [NH3+]CCOCC[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000662317738 565360801 /nfs/dbraw/zinc/36/08/01/565360801.db2.gz RMLQAWGKZPILTG-UHFFFAOYSA-N 2 2 378.108 2.545 20 0 GFADLP [NH3+]CCOCC[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC000662317738 565360807 /nfs/dbraw/zinc/36/08/07/565360807.db2.gz RMLQAWGKZPILTG-UHFFFAOYSA-N 2 2 378.108 2.545 20 0 GFADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789076 565399968 /nfs/dbraw/zinc/39/99/68/565399968.db2.gz YJQFXQLABWKCTE-LPHOPBHVSA-N 2 2 396.373 2.896 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[C@H](C)[NH+](C)C)[nH+]c12 ZINC000664658862 565472683 /nfs/dbraw/zinc/47/26/83/565472683.db2.gz HBUKXKJFGGNKJN-LBPRGKRZSA-N 2 2 382.306 2.545 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895720 565496606 /nfs/dbraw/zinc/49/66/06/565496606.db2.gz TXXHFQAITHAMKU-CPUCHLNUSA-N 2 2 381.314 2.985 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895720 565496609 /nfs/dbraw/zinc/49/66/09/565496609.db2.gz TXXHFQAITHAMKU-CPUCHLNUSA-N 2 2 381.314 2.985 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895721 565496667 /nfs/dbraw/zinc/49/66/67/565496667.db2.gz TXXHFQAITHAMKU-KEYYUXOJSA-N 2 2 381.314 2.985 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000595895721 565496669 /nfs/dbraw/zinc/49/66/69/565496669.db2.gz TXXHFQAITHAMKU-KEYYUXOJSA-N 2 2 381.314 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000666226162 565528349 /nfs/dbraw/zinc/52/83/49/565528349.db2.gz NSBZEWUISBVCAT-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)c(Br)c1 ZINC000666226162 565528351 /nfs/dbraw/zinc/52/83/51/565528351.db2.gz NSBZEWUISBVCAT-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652015 565530674 /nfs/dbraw/zinc/53/06/74/565530674.db2.gz FDBHATKDNRALRZ-IUODEOHRSA-N 2 2 398.292 2.795 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652017 565530684 /nfs/dbraw/zinc/53/06/84/565530684.db2.gz FDBHATKDNRALRZ-WFASDCNBSA-N 2 2 398.292 2.795 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607238 /nfs/dbraw/zinc/60/72/38/565607238.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 2 380.330 2.976 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607240 /nfs/dbraw/zinc/60/72/40/565607240.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607245 /nfs/dbraw/zinc/60/72/45/565607245.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607249 /nfs/dbraw/zinc/60/72/49/565607249.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 2 380.330 2.976 20 0 GFADLP Fc1cc(Br)cc(OCC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625546736 565637727 /nfs/dbraw/zinc/63/77/27/565637727.db2.gz SBLFGEWRFJNAMM-UHFFFAOYSA-N 2 2 387.293 2.764 20 0 GFADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000648316140 565702541 /nfs/dbraw/zinc/70/25/41/565702541.db2.gz IERBEJRLNCBAQW-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000648316140 565702545 /nfs/dbraw/zinc/70/25/45/565702545.db2.gz IERBEJRLNCBAQW-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP CN(C(=O)c1cc(Br)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478173 565785804 /nfs/dbraw/zinc/78/58/04/565785804.db2.gz XDUBERCEISEAOR-CQSZACIVSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1cc(Br)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478173 565785811 /nfs/dbraw/zinc/78/58/11/565785811.db2.gz XDUBERCEISEAOR-CQSZACIVSA-N 2 2 386.359 2.751 20 0 GFADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603878 565862944 /nfs/dbraw/zinc/86/29/44/565862944.db2.gz QLGOZCABRBVYHS-DLBZAZTESA-N 2 2 383.330 2.795 20 0 GFADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603878 565862946 /nfs/dbraw/zinc/86/29/46/565862946.db2.gz QLGOZCABRBVYHS-DLBZAZTESA-N 2 2 383.330 2.795 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1Br ZINC000675886612 565919787 /nfs/dbraw/zinc/91/97/87/565919787.db2.gz SQIUGHWRDYLMMS-KGLIPLIRSA-N 2 2 388.375 2.568 20 0 GFADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886643 565920139 /nfs/dbraw/zinc/92/01/39/565920139.db2.gz KEFQTQPPTJKLRJ-KSSFIOAISA-N 2 2 384.351 2.977 20 0 GFADLP C[N@H+](CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000631035112 565935195 /nfs/dbraw/zinc/93/51/95/565935195.db2.gz AMTLXHQVFRDUFM-UHFFFAOYSA-N 2 2 381.929 2.599 20 0 GFADLP C[N@@H+](CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000631035112 565935201 /nfs/dbraw/zinc/93/52/01/565935201.db2.gz AMTLXHQVFRDUFM-UHFFFAOYSA-N 2 2 381.929 2.599 20 0 GFADLP CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653063503 565953238 /nfs/dbraw/zinc/95/32/38/565953238.db2.gz JWBFDMBQPJNOKX-NSHDSACASA-N 2 2 378.698 2.719 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)n2c1 ZINC000678135698 566001528 /nfs/dbraw/zinc/00/15/28/566001528.db2.gz PXUYBVMHTYIBIA-QGZVFWFLSA-N 2 2 393.329 2.784 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)n2c1 ZINC000678135698 566001532 /nfs/dbraw/zinc/00/15/32/566001532.db2.gz PXUYBVMHTYIBIA-QGZVFWFLSA-N 2 2 393.329 2.784 20 0 GFADLP Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000654969029 566032811 /nfs/dbraw/zinc/03/28/11/566032811.db2.gz GRIQEOHAYFZREI-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000654969029 566032813 /nfs/dbraw/zinc/03/28/13/566032813.db2.gz GRIQEOHAYFZREI-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000679832844 566055385 /nfs/dbraw/zinc/05/53/85/566055385.db2.gz TXTBYQQIPYWCSJ-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000679832844 566055388 /nfs/dbraw/zinc/05/53/88/566055388.db2.gz TXTBYQQIPYWCSJ-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682187305 566146328 /nfs/dbraw/zinc/14/63/28/566146328.db2.gz SCNRUAHEGIPCMW-JKSUJKDBSA-N 2 2 398.276 2.862 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682187305 566146333 /nfs/dbraw/zinc/14/63/33/566146333.db2.gz SCNRUAHEGIPCMW-JKSUJKDBSA-N 2 2 398.276 2.862 20 0 GFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702276 566155843 /nfs/dbraw/zinc/15/58/43/566155843.db2.gz NOQXOQBQLMKFFB-HUUCEWRRSA-N 2 2 389.309 2.790 20 0 GFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702276 566155850 /nfs/dbraw/zinc/15/58/50/566155850.db2.gz NOQXOQBQLMKFFB-HUUCEWRRSA-N 2 2 389.309 2.790 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635561575 566218475 /nfs/dbraw/zinc/21/84/75/566218475.db2.gz SJNZCJZYLMFAJK-UHFFFAOYSA-N 2 2 391.318 2.813 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000635561575 566218476 /nfs/dbraw/zinc/21/84/76/566218476.db2.gz SJNZCJZYLMFAJK-UHFFFAOYSA-N 2 2 391.318 2.813 20 0 GFADLP C[NH+](C)[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000821581087 599485347 /nfs/dbraw/zinc/48/53/47/599485347.db2.gz CARSZWSHPUFVDV-SFHVURJKSA-N 2 2 377.427 2.691 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194592 607501830 /nfs/dbraw/zinc/50/18/30/607501830.db2.gz QHDSPVSJEKAYIS-SJLPKXTDSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194592 607501831 /nfs/dbraw/zinc/50/18/31/607501831.db2.gz QHDSPVSJEKAYIS-SJLPKXTDSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194592 607501832 /nfs/dbraw/zinc/50/18/32/607501832.db2.gz QHDSPVSJEKAYIS-SJLPKXTDSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194592 607501833 /nfs/dbraw/zinc/50/18/33/607501833.db2.gz QHDSPVSJEKAYIS-SJLPKXTDSA-N 2 2 384.528 2.962 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453844 608314307 /nfs/dbraw/zinc/31/43/07/608314307.db2.gz XAGGURYLUGPMPF-YJBOKZPZSA-N 2 2 394.527 2.665 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453844 608314309 /nfs/dbraw/zinc/31/43/09/608314309.db2.gz XAGGURYLUGPMPF-YJBOKZPZSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453844 608314311 /nfs/dbraw/zinc/31/43/11/608314311.db2.gz XAGGURYLUGPMPF-YJBOKZPZSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453844 608314313 /nfs/dbraw/zinc/31/43/13/608314313.db2.gz XAGGURYLUGPMPF-YJBOKZPZSA-N 2 2 394.527 2.665 20 0 GFADLP C[C@@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824599980 609441324 /nfs/dbraw/zinc/44/13/24/609441324.db2.gz VGZZPUQYXDRHAU-OAHLLOKOSA-N 2 2 375.436 2.782 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000817567890 660200775 /nfs/dbraw/zinc/20/07/75/660200775.db2.gz WNCKDELQXRKWRM-UHFFFAOYSA-N 2 2 381.977 2.924 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3ccc(Cl)nc3)CC2)CC1 ZINC000817567890 660200777 /nfs/dbraw/zinc/20/07/77/660200777.db2.gz WNCKDELQXRKWRM-UHFFFAOYSA-N 2 2 381.977 2.924 20 0 GFADLP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc(Cl)n1 ZINC000825930685 660445764 /nfs/dbraw/zinc/44/57/64/660445764.db2.gz XDMZRAQGGWBTKG-MRXNPFEDSA-N 2 2 378.929 2.839 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413947 660494148 /nfs/dbraw/zinc/49/41/48/660494148.db2.gz OBFKTLYGBLCYTB-GFCCVEGCSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413947 660494151 /nfs/dbraw/zinc/49/41/51/660494151.db2.gz OBFKTLYGBLCYTB-GFCCVEGCSA-N 2 2 378.929 2.848 20 0 GFADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517911 /nfs/dbraw/zinc/51/79/11/654517911.db2.gz NDRWTBCJGODBRB-HNNXBMFYSA-N 2 2 387.977 2.696 20 0 GFADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517918 /nfs/dbraw/zinc/51/79/18/654517918.db2.gz NDRWTBCJGODBRB-HNNXBMFYSA-N 2 2 387.977 2.696 20 0 GFADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517923 /nfs/dbraw/zinc/51/79/23/654517923.db2.gz NDRWTBCJGODBRB-HNNXBMFYSA-N 2 2 387.977 2.696 20 0 GFADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccc(Cl)s1 ZINC000016341602 654517928 /nfs/dbraw/zinc/51/79/28/654517928.db2.gz NDRWTBCJGODBRB-HNNXBMFYSA-N 2 2 387.977 2.696 20 0 GFADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326372 654774405 /nfs/dbraw/zinc/77/44/05/654774405.db2.gz XEJLJECEGUYMRL-ZFWWWQNUSA-N 2 2 391.313 2.533 20 0 GFADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326372 654774409 /nfs/dbraw/zinc/77/44/09/654774409.db2.gz XEJLJECEGUYMRL-ZFWWWQNUSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326372 654774411 /nfs/dbraw/zinc/77/44/11/654774411.db2.gz XEJLJECEGUYMRL-ZFWWWQNUSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326372 654774414 /nfs/dbraw/zinc/77/44/14/654774414.db2.gz XEJLJECEGUYMRL-ZFWWWQNUSA-N 2 2 391.313 2.533 20 0 GFADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000266499119 654882206 /nfs/dbraw/zinc/88/22/06/654882206.db2.gz AZLLJQUYPOAJJN-AWEZNQCLSA-N 2 2 382.346 2.870 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCC([N@H+](C)CCCO)CC3)c[nH+]c12 ZINC000273506022 655145749 /nfs/dbraw/zinc/14/57/49/655145749.db2.gz OKNMETNRADKGAE-UHFFFAOYSA-N 2 2 395.345 2.684 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCC([N@@H+](C)CCCO)CC3)c[nH+]c12 ZINC000273506022 655145753 /nfs/dbraw/zinc/14/57/53/655145753.db2.gz OKNMETNRADKGAE-UHFFFAOYSA-N 2 2 395.345 2.684 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)s2)CC1 ZINC000114453906 655224360 /nfs/dbraw/zinc/22/43/60/655224360.db2.gz MMDZUUZGYUZQIJ-UHFFFAOYSA-N 2 2 388.375 2.931 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000114453906 655224361 /nfs/dbraw/zinc/22/43/61/655224361.db2.gz MMDZUUZGYUZQIJ-UHFFFAOYSA-N 2 2 388.375 2.931 20 0 GFADLP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185367117 655364089 /nfs/dbraw/zinc/36/40/89/655364089.db2.gz MACQVEVMSKXXLT-CYBMUJFWSA-N 2 2 388.325 2.972 20 0 GFADLP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185367117 655364091 /nfs/dbraw/zinc/36/40/91/655364091.db2.gz MACQVEVMSKXXLT-CYBMUJFWSA-N 2 2 388.325 2.972 20 0 GFADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227935247 655423052 /nfs/dbraw/zinc/42/30/52/655423052.db2.gz BBFVVPRTJPOUES-NSHDSACASA-N 2 2 386.153 2.675 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773308769 656410325 /nfs/dbraw/zinc/41/03/25/656410325.db2.gz IZWCQBRNAMQDPW-UHFFFAOYSA-N 2 2 397.248 2.981 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773308769 656410337 /nfs/dbraw/zinc/41/03/37/656410337.db2.gz IZWCQBRNAMQDPW-UHFFFAOYSA-N 2 2 397.248 2.981 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511439 661342814 /nfs/dbraw/zinc/34/28/14/661342814.db2.gz ASFXMPNSLHCTES-MJGOQNOKSA-N 2 2 392.341 2.941 20 0 GFADLP CC(C)c1[nH+]ccn1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852803626 661874798 /nfs/dbraw/zinc/87/47/98/661874798.db2.gz NODRIEQLNXGJGT-UHFFFAOYSA-N 2 2 383.315 2.864 20 0 GFADLP Brc1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000863652243 662342423 /nfs/dbraw/zinc/34/24/23/662342423.db2.gz SRTUZEJGTDRWER-OAHLLOKOSA-N 2 2 393.329 2.687 20 0 GFADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865003280 662394449 /nfs/dbraw/zinc/39/44/49/662394449.db2.gz NUHBCMRSZQSYOQ-INIZCTEOSA-N 2 2 385.295 2.730 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccnc2Br)C1 ZINC000865524901 662426576 /nfs/dbraw/zinc/42/65/76/662426576.db2.gz PLGQMWWUJCHRGR-QGZVFWFLSA-N 2 2 376.298 2.701 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccnc2Br)C1 ZINC000865524901 662426579 /nfs/dbraw/zinc/42/65/79/662426579.db2.gz PLGQMWWUJCHRGR-QGZVFWFLSA-N 2 2 376.298 2.701 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750865 662441359 /nfs/dbraw/zinc/44/13/59/662441359.db2.gz TZRRJXCJYJNALB-YBEMTRGBSA-N 2 2 396.329 2.730 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750865 662441361 /nfs/dbraw/zinc/44/13/61/662441361.db2.gz TZRRJXCJYJNALB-YBEMTRGBSA-N 2 2 396.329 2.730 20 0 GFADLP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598202 662483219 /nfs/dbraw/zinc/48/32/19/662483219.db2.gz UIAPOCQDXLFZFA-MSOLQXFVSA-N 2 2 383.330 2.980 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)c[nH+]c12 ZINC000873227032 662804134 /nfs/dbraw/zinc/80/41/34/662804134.db2.gz BHSXSBYUGHWEEU-GWCFXTLKSA-N 2 2 391.235 2.974 20 0 GFADLP Cc1ccnc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000877525075 662878055 /nfs/dbraw/zinc/87/80/55/662878055.db2.gz PTBVWEPXYDZRCA-UHFFFAOYSA-N 2 2 381.362 2.612 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000926108522 664681953 /nfs/dbraw/zinc/68/19/53/664681953.db2.gz BYBXIZMIDLOCAE-UHFFFAOYSA-N 2 2 393.688 2.786 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001164833024 720327971 /nfs/dbraw/zinc/32/79/71/720327971.db2.gz VVSYZGPZYWHEBS-WOJBJXKFSA-N 2 2 385.556 2.649 20 0 GFADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841161 720504690 /nfs/dbraw/zinc/50/46/90/720504690.db2.gz XSPULMHVWUQOIJ-HSALFYBXSA-N 2 2 395.555 2.651 20 0 GFADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841161 720504691 /nfs/dbraw/zinc/50/46/91/720504691.db2.gz XSPULMHVWUQOIJ-HSALFYBXSA-N 2 2 395.555 2.651 20 0 GFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748936 720858130 /nfs/dbraw/zinc/85/81/30/720858130.db2.gz MYHHWRDGDICOJP-SVFBPWRDSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748936 720858132 /nfs/dbraw/zinc/85/81/32/720858132.db2.gz MYHHWRDGDICOJP-SVFBPWRDSA-N 2 2 378.524 2.930 20 0 GFADLP c1[nH+]cn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@@H](COCC1CC1)C2 ZINC001164756460 720982617 /nfs/dbraw/zinc/98/26/17/720982617.db2.gz IMYAGXOYUYRBAA-LJQANCHMSA-N 2 2 381.524 2.937 20 0 GFADLP Brc1ccc2[nH+]cc(CNc3[nH+]cccc3N3CCOCC3)n2c1 ZINC000359879742 206267867 /nfs/dbraw/zinc/26/78/67/206267867.db2.gz YSEVGHLPVIVYIN-UHFFFAOYSA-N 2 2 388.269 2.941 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000126452003 551330421 /nfs/dbraw/zinc/33/04/21/551330421.db2.gz PKZFPHMIATVYIU-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000126452003 551330424 /nfs/dbraw/zinc/33/04/24/551330424.db2.gz PKZFPHMIATVYIU-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000126452003 551330426 /nfs/dbraw/zinc/33/04/26/551330426.db2.gz PKZFPHMIATVYIU-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000126452003 551330428 /nfs/dbraw/zinc/33/04/28/551330428.db2.gz PKZFPHMIATVYIU-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP Cc1ccc2[nH+]cc(C[NH2+]CCNC(=O)c3ccc(Br)cc3)n2c1 ZINC000156070040 551513840 /nfs/dbraw/zinc/51/38/40/551513840.db2.gz CWVLSBQDMRCFEZ-UHFFFAOYSA-N 2 2 387.281 2.925 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000168960387 551634562 /nfs/dbraw/zinc/63/45/62/551634562.db2.gz ONLNUECZDATGDP-SFHVURJKSA-N 2 2 386.367 2.960 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000177157941 552150661 /nfs/dbraw/zinc/15/06/61/552150661.db2.gz TWURGPIJAUIOGQ-MSOLQXFVSA-N 2 2 394.357 2.695 20 0 GFADLP Cc1csc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000178881900 552178165 /nfs/dbraw/zinc/17/81/65/552178165.db2.gz LNBHQSDTEKHEFG-UHFFFAOYSA-N 2 2 378.567 2.682 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038291 552243491 /nfs/dbraw/zinc/24/34/91/552243491.db2.gz HUXGXURINAIPDZ-HIFRSBDPSA-N 2 2 386.323 2.577 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275879 552251848 /nfs/dbraw/zinc/25/18/48/552251848.db2.gz RYAZPIJVOGQNLM-LSDHHAIUSA-N 2 2 376.302 2.951 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH]2)cc1 ZINC000181275879 552251850 /nfs/dbraw/zinc/25/18/50/552251850.db2.gz RYAZPIJVOGQNLM-LSDHHAIUSA-N 2 2 376.302 2.951 20 0 GFADLP Fc1cc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)ccc1Br ZINC000182863880 552295143 /nfs/dbraw/zinc/29/51/43/552295143.db2.gz CXTHCRBWCCYVKL-UHFFFAOYSA-N 2 2 381.293 2.993 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074027 552549604 /nfs/dbraw/zinc/54/96/04/552549604.db2.gz SPWJRWMVGUNONQ-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074027 552549607 /nfs/dbraw/zinc/54/96/07/552549607.db2.gz SPWJRWMVGUNONQ-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074027 552549611 /nfs/dbraw/zinc/54/96/11/552549611.db2.gz SPWJRWMVGUNONQ-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074027 552549614 /nfs/dbraw/zinc/54/96/14/552549614.db2.gz SPWJRWMVGUNONQ-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561385 563213545 /nfs/dbraw/zinc/21/35/45/563213545.db2.gz NGWQFHBPQKYKHE-BDVYOWHSSA-N 2 2 380.330 2.625 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561385 563213548 /nfs/dbraw/zinc/21/35/48/563213548.db2.gz NGWQFHBPQKYKHE-BDVYOWHSSA-N 2 2 380.330 2.625 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370148671 563235030 /nfs/dbraw/zinc/23/50/30/563235030.db2.gz LWBVTIQZYZUARQ-CCKFTAQKSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370148671 563235032 /nfs/dbraw/zinc/23/50/32/563235032.db2.gz LWBVTIQZYZUARQ-CCKFTAQKSA-N 2 2 386.367 2.985 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC[C@H]2c2cccs2)CC1 ZINC000371144861 563266790 /nfs/dbraw/zinc/26/67/90/563266790.db2.gz LJJABBFVIANZIS-INIZCTEOSA-N 2 2 382.599 2.574 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047468 563294099 /nfs/dbraw/zinc/29/40/99/563294099.db2.gz ROKCZGKHEOIDSM-MOPGFXCFSA-N 2 2 396.373 2.896 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000422011848 563327837 /nfs/dbraw/zinc/32/78/37/563327837.db2.gz CYHOELJHLYOGGG-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)co3)CC2)CC1 ZINC000422011848 563327840 /nfs/dbraw/zinc/32/78/40/563327840.db2.gz CYHOELJHLYOGGG-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889290 563349814 /nfs/dbraw/zinc/34/98/14/563349814.db2.gz FPGHFFXYKAFSRZ-DNVCBOLYSA-N 2 2 396.373 2.770 20 0 GFADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423051133 563353775 /nfs/dbraw/zinc/35/37/75/563353775.db2.gz ZWMQLYUQOFYUTF-SUMWQHHRSA-N 2 2 376.298 2.936 20 0 GFADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099416 563355331 /nfs/dbraw/zinc/35/53/31/563355331.db2.gz AIUNPHUJYXJVMG-IAGOWNOFSA-N 2 2 379.913 2.661 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)c[nH+]c12 ZINC000374626603 563377896 /nfs/dbraw/zinc/37/78/96/563377896.db2.gz AUKVGWYAJVTGPT-PBHICJAKSA-N 2 2 380.286 2.833 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374799191 563382240 /nfs/dbraw/zinc/38/22/40/563382240.db2.gz IWGDHERPRYHDOD-OAHLLOKOSA-N 2 2 383.330 2.669 20 0 GFADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005434 563387726 /nfs/dbraw/zinc/38/77/26/563387726.db2.gz OLWJWOSTZTWRRI-ROUUACIJSA-N 2 2 385.599 2.609 20 0 GFADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435914 563422289 /nfs/dbraw/zinc/42/22/89/563422289.db2.gz UVDDTVFSAISDKN-NVXWUHKLSA-N 2 2 387.615 2.989 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283367629 563443007 /nfs/dbraw/zinc/44/30/07/563443007.db2.gz DRXGMARSMZEICX-BQYQJAHWSA-N 2 2 377.286 2.776 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000324483651 563452088 /nfs/dbraw/zinc/45/20/88/563452088.db2.gz OZRBEBHYZSWOOC-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000324483651 563452091 /nfs/dbraw/zinc/45/20/91/563452091.db2.gz OZRBEBHYZSWOOC-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000377852421 563488494 /nfs/dbraw/zinc/48/84/94/563488494.db2.gz QCCYARQLKLSKRZ-QGZVFWFLSA-N 2 2 379.551 2.827 20 0 GFADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000378365255 563504639 /nfs/dbraw/zinc/50/46/39/563504639.db2.gz IUUCOWBFNWETPH-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000378365255 563504640 /nfs/dbraw/zinc/50/46/40/563504640.db2.gz IUUCOWBFNWETPH-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430556139 563545012 /nfs/dbraw/zinc/54/50/12/563545012.db2.gz QEARBNKJBHCTAJ-HNNXBMFYSA-N 2 2 389.281 2.501 20 0 GFADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430575349 563546018 /nfs/dbraw/zinc/54/60/18/563546018.db2.gz QONGRYCXPUCANM-LLVKDONJSA-N 2 2 389.281 2.535 20 0 GFADLP C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430575349 563546021 /nfs/dbraw/zinc/54/60/21/563546021.db2.gz QONGRYCXPUCANM-LLVKDONJSA-N 2 2 389.281 2.535 20 0 GFADLP Cn1cc(Br)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000432874777 563596267 /nfs/dbraw/zinc/59/62/67/563596267.db2.gz VTTFRECQPGBFMA-UHFFFAOYSA-N 2 2 385.350 2.507 20 0 GFADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411252479 563612079 /nfs/dbraw/zinc/61/20/79/563612079.db2.gz JVHIALXNDUZRGI-INIZCTEOSA-N 2 2 378.929 2.821 20 0 GFADLP CC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+](C)C ZINC000413808450 563706518 /nfs/dbraw/zinc/70/65/18/563706518.db2.gz ROXGFAMOBJBXJF-AWEZNQCLSA-N 2 2 383.290 2.608 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000414068453 563717317 /nfs/dbraw/zinc/71/73/17/563717317.db2.gz JSQOSGRKVBWPKQ-YJBOKZPZSA-N 2 2 392.341 2.762 20 0 GFADLP CS(=O)(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000291103293 563731677 /nfs/dbraw/zinc/73/16/77/563731677.db2.gz JNRXPBOYTVLWSW-UHFFFAOYSA-N 2 2 379.448 2.565 20 0 GFADLP Cc1cc(Br)cc(C[NH+]2CCC(O)(C[NH3+])CC2)c1OC(F)F ZINC000415137593 563760441 /nfs/dbraw/zinc/76/04/41/563760441.db2.gz FVNOLNAIQKGXGB-UHFFFAOYSA-N 2 2 379.245 2.645 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(F)c3Br)CC2)CC1 ZINC000293033618 563799012 /nfs/dbraw/zinc/79/90/12/563799012.db2.gz PZIBDTDHVFQBOV-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP [NH3+]C[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCCCC1 ZINC000417216581 563873754 /nfs/dbraw/zinc/87/37/54/563873754.db2.gz JOTSPHZZFPIUHL-HNNXBMFYSA-N 2 2 394.317 2.804 20 0 GFADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417228445 563874749 /nfs/dbraw/zinc/87/47/49/563874749.db2.gz WFEPFLINNCMESY-CQSZACIVSA-N 2 2 382.306 2.612 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000418021125 563895464 /nfs/dbraw/zinc/89/54/64/563895464.db2.gz OYHZTHLIIDMUGU-KGLIPLIRSA-N 2 2 394.317 2.517 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)[nH+]c12 ZINC000418016977 563895518 /nfs/dbraw/zinc/89/55/18/563895518.db2.gz GJZJBDOQFUKREI-OCCSQVGLSA-N 2 2 394.317 2.722 20 0 GFADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942683 564181265 /nfs/dbraw/zinc/18/12/65/564181265.db2.gz AWVGLLFHYMIYCD-HIFRSBDPSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942683 564181268 /nfs/dbraw/zinc/18/12/68/564181268.db2.gz AWVGLLFHYMIYCD-HIFRSBDPSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372749 564181778 /nfs/dbraw/zinc/18/17/78/564181778.db2.gz ADCVRVYDKXYOET-MAUKXSAKSA-N 2 2 390.325 2.721 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372749 564181781 /nfs/dbraw/zinc/18/17/81/564181781.db2.gz ADCVRVYDKXYOET-MAUKXSAKSA-N 2 2 390.325 2.721 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394347 564184080 /nfs/dbraw/zinc/18/40/80/564184080.db2.gz NTZNQMGSZCWMDI-AWEZNQCLSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394347 564184083 /nfs/dbraw/zinc/18/40/83/564184083.db2.gz NTZNQMGSZCWMDI-AWEZNQCLSA-N 2 2 393.272 2.987 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000471148781 564187544 /nfs/dbraw/zinc/18/75/44/564187544.db2.gz PUXKDWXIRHUQOO-UHFFFAOYSA-N 2 2 382.295 2.878 20 0 GFADLP C[NH+]1CCC(C)(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000508152351 564256618 /nfs/dbraw/zinc/25/66/18/564256618.db2.gz TZWPKAIDJONJKJ-UHFFFAOYSA-N 2 2 394.317 2.628 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000541841675 564291760 /nfs/dbraw/zinc/29/17/60/564291760.db2.gz ANPHVMYAISTPBH-GXTWGEPZSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000541841675 564291764 /nfs/dbraw/zinc/29/17/64/564291764.db2.gz ANPHVMYAISTPBH-GXTWGEPZSA-N 2 2 394.317 2.687 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)s1 ZINC000511928809 564386309 /nfs/dbraw/zinc/38/63/09/564386309.db2.gz XJTHFVUTFPVVQV-LLVKDONJSA-N 2 2 382.892 2.892 20 0 GFADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166778 564411231 /nfs/dbraw/zinc/41/12/31/564411231.db2.gz DUFCGPTXXXEKNP-MRXNPFEDSA-N 2 2 382.327 2.729 20 0 GFADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000545166778 564411234 /nfs/dbraw/zinc/41/12/34/564411234.db2.gz DUFCGPTXXXEKNP-MRXNPFEDSA-N 2 2 382.327 2.729 20 0 GFADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH+](CCO)CC1 ZINC000513578942 564432984 /nfs/dbraw/zinc/43/29/84/564432984.db2.gz SDIYJKNTNYPKBM-UHFFFAOYSA-N 2 2 393.329 2.523 20 0 GFADLP Brc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000480387072 564471016 /nfs/dbraw/zinc/47/10/16/564471016.db2.gz UCDLSHRZUXPTAV-UHFFFAOYSA-N 3 2 379.302 2.739 20 0 GFADLP CN(CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl)CC[NH+](C)C ZINC000569647350 564472620 /nfs/dbraw/zinc/47/26/20/564472620.db2.gz LYPYJGBTGCOAFY-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP CN(CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl)CC[NH+](C)C ZINC000569647350 564472625 /nfs/dbraw/zinc/47/26/25/564472625.db2.gz LYPYJGBTGCOAFY-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414559 564478273 /nfs/dbraw/zinc/47/82/73/564478273.db2.gz JMCYTIGGDHINOJ-DAYGRLMNSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414559 564478274 /nfs/dbraw/zinc/47/82/74/564478274.db2.gz JMCYTIGGDHINOJ-DAYGRLMNSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629074 564547621 /nfs/dbraw/zinc/54/76/21/564547621.db2.gz MHGYLIBMQJXZSN-WQVCFCJDSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629074 564547626 /nfs/dbraw/zinc/54/76/26/564547626.db2.gz MHGYLIBMQJXZSN-WQVCFCJDSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572148958 564583241 /nfs/dbraw/zinc/58/32/41/564583241.db2.gz LLCABOVFVDQZAH-WCQYABFASA-N 2 2 388.693 2.717 20 0 GFADLP CS(=O)(=O)c1ccc(-c2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000573331160 564633866 /nfs/dbraw/zinc/63/38/66/564633866.db2.gz NWLFZVVWRRZKKW-UHFFFAOYSA-N 2 2 379.551 2.774 20 0 GFADLP Cn1ncc(Br)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000485986321 564634674 /nfs/dbraw/zinc/63/46/74/564634674.db2.gz YKTHXXSJBZXAME-UHFFFAOYSA-N 2 2 393.333 2.720 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979746 564662965 /nfs/dbraw/zinc/66/29/65/564662965.db2.gz SUJBZUAJOIPILA-CQSZACIVSA-N 2 2 381.307 2.875 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979746 564662967 /nfs/dbraw/zinc/66/29/67/564662967.db2.gz SUJBZUAJOIPILA-CQSZACIVSA-N 2 2 381.307 2.875 20 0 GFADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457944372 564680662 /nfs/dbraw/zinc/68/06/62/564680662.db2.gz LCKPTFWQHUOXEV-HNNXBMFYSA-N 2 2 394.317 2.721 20 0 GFADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457944372 564680664 /nfs/dbraw/zinc/68/06/64/564680664.db2.gz LCKPTFWQHUOXEV-HNNXBMFYSA-N 2 2 394.317 2.721 20 0 GFADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000552575462 564696048 /nfs/dbraw/zinc/69/60/48/564696048.db2.gz AHLLHQYWTHAGHB-UHFFFAOYSA-N 2 2 387.977 2.612 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752908 564703138 /nfs/dbraw/zinc/70/31/38/564703138.db2.gz QLHXFFCXFKPTFK-OAHLLOKOSA-N 2 2 388.300 2.939 20 0 GFADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]1 ZINC000581071033 564787053 /nfs/dbraw/zinc/78/70/53/564787053.db2.gz JICKCEBGSUZKOJ-KBRIMQKVSA-N 2 2 380.330 2.843 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556403555 564824583 /nfs/dbraw/zinc/82/45/83/564824583.db2.gz DWXRNGHEPXUQOO-INIZCTEOSA-N 2 2 388.293 2.738 20 0 GFADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556403555 564824588 /nfs/dbraw/zinc/82/45/88/564824588.db2.gz DWXRNGHEPXUQOO-INIZCTEOSA-N 2 2 388.293 2.738 20 0 GFADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000462202245 564827718 /nfs/dbraw/zinc/82/77/18/564827718.db2.gz GFCRXFVRBBAVSI-YJBOKZPZSA-N 2 2 382.599 2.574 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(Cl)cc1Br ZINC000529565966 564843285 /nfs/dbraw/zinc/84/32/85/564843285.db2.gz NNILBFUAVAOCBC-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(Cl)cc1Br ZINC000529565966 564843286 /nfs/dbraw/zinc/84/32/86/564843286.db2.gz NNILBFUAVAOCBC-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC000462792341 564858798 /nfs/dbraw/zinc/85/87/98/564858798.db2.gz VBVGCHNJWOGZMY-UHFFFAOYSA-N 2 2 383.330 2.999 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2OC)CC1 ZINC000462910104 564863138 /nfs/dbraw/zinc/86/31/38/564863138.db2.gz GVRCISKTGQQMPO-UHFFFAOYSA-N 2 2 399.329 2.965 20 0 GFADLP Cc1c([C@H](C)[NH2+]CCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000530513186 564885291 /nfs/dbraw/zinc/88/52/91/564885291.db2.gz PBXPUNPXWHVCGZ-LBPRGKRZSA-N 2 2 389.301 2.965 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988243 564952093 /nfs/dbraw/zinc/95/20/93/564952093.db2.gz IIUKMTKHUGRCAM-CZUORRHYSA-N 2 2 393.329 2.762 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988243 564952095 /nfs/dbraw/zinc/95/20/95/564952095.db2.gz IIUKMTKHUGRCAM-CZUORRHYSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988243 564952097 /nfs/dbraw/zinc/95/20/97/564952097.db2.gz IIUKMTKHUGRCAM-CZUORRHYSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988243 564952099 /nfs/dbraw/zinc/95/20/99/564952099.db2.gz IIUKMTKHUGRCAM-CZUORRHYSA-N 2 2 393.329 2.762 20 0 GFADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000560274552 564955352 /nfs/dbraw/zinc/95/53/52/564955352.db2.gz MFDBLYPJKGRULA-CQSZACIVSA-N 2 2 399.329 2.826 20 0 GFADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Br)c1 ZINC000560274552 564955356 /nfs/dbraw/zinc/95/53/56/564955356.db2.gz MFDBLYPJKGRULA-CQSZACIVSA-N 2 2 399.329 2.826 20 0 GFADLP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657484988 565103129 /nfs/dbraw/zinc/10/31/29/565103129.db2.gz HYJAFTKJAUVBKA-CQSZACIVSA-N 2 2 378.314 2.841 20 0 GFADLP Brc1ccc(C[N@@H+](CCc2cnccn2)CCn2cc[nH+]c2)o1 ZINC000639638676 565254313 /nfs/dbraw/zinc/25/43/13/565254313.db2.gz PPISBIPBRUWAPM-UHFFFAOYSA-N 2 2 376.258 2.774 20 0 GFADLP Brc1ccc(C[N@H+](CCc2cnccn2)CCn2cc[nH+]c2)o1 ZINC000639638676 565254316 /nfs/dbraw/zinc/25/43/16/565254316.db2.gz PPISBIPBRUWAPM-UHFFFAOYSA-N 2 2 376.258 2.774 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000617765873 565258239 /nfs/dbraw/zinc/25/82/39/565258239.db2.gz UGJBLQYSXMYFAL-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cc2cccnc21 ZINC000617765873 565258244 /nfs/dbraw/zinc/25/82/44/565258244.db2.gz UGJBLQYSXMYFAL-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765931 565258383 /nfs/dbraw/zinc/25/83/83/565258383.db2.gz WKAUAQQILWDYQK-HNNXBMFYSA-N 2 2 384.362 2.627 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765931 565258389 /nfs/dbraw/zinc/25/83/89/565258389.db2.gz WKAUAQQILWDYQK-HNNXBMFYSA-N 2 2 384.362 2.627 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(Br)c1 ZINC000617765969 565258673 /nfs/dbraw/zinc/25/86/73/565258673.db2.gz XULZSWCOLJPDAE-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(Br)c1 ZINC000617765969 565258676 /nfs/dbraw/zinc/25/86/76/565258676.db2.gz XULZSWCOLJPDAE-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344459 565361722 /nfs/dbraw/zinc/36/17/22/565361722.db2.gz YYCRURYIJNISMQ-GOSISDBHSA-N 2 2 388.309 2.793 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303887 565411053 /nfs/dbraw/zinc/41/10/53/565411053.db2.gz KZJIFGPGNIIXDG-SUMWQHHRSA-N 2 2 396.329 2.619 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596411 565428262 /nfs/dbraw/zinc/42/82/62/565428262.db2.gz HHAIILWXEXZRTG-ZDUSSCGKSA-N 2 2 380.334 2.697 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596411 565428263 /nfs/dbraw/zinc/42/82/63/565428263.db2.gz HHAIILWXEXZRTG-ZDUSSCGKSA-N 2 2 380.334 2.697 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193249 565515978 /nfs/dbraw/zinc/51/59/78/565515978.db2.gz IFILDZUYTUDSBR-STQMWFEESA-N 2 2 386.309 2.791 20 0 GFADLP OC[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCc2cc(Br)ccc2C1 ZINC000623645356 565523530 /nfs/dbraw/zinc/52/35/30/565523530.db2.gz YTFSCGRNWOGIJK-GOSISDBHSA-N 2 2 376.298 2.601 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025901 565549103 /nfs/dbraw/zinc/54/91/03/565549103.db2.gz JCQPRPWMUAXGPK-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025901 565549107 /nfs/dbraw/zinc/54/91/07/565549107.db2.gz JCQPRPWMUAXGPK-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(F)c1Br ZINC000666843976 565559701 /nfs/dbraw/zinc/55/97/01/565559701.db2.gz VYPOFLLXEQBQMI-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc(F)c1Br ZINC000666843976 565559706 /nfs/dbraw/zinc/55/97/06/565559706.db2.gz VYPOFLLXEQBQMI-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP Brc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)nc1 ZINC000667498662 565589364 /nfs/dbraw/zinc/58/93/64/565589364.db2.gz QONFKESOADWXOA-UHFFFAOYSA-N 2 2 399.296 2.747 20 0 GFADLP CC(C)([NH3+])CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557627 565608051 /nfs/dbraw/zinc/60/80/51/565608051.db2.gz YGPHXZAFKZENRY-UHFFFAOYSA-N 2 2 379.302 2.802 20 0 GFADLP [NH3+]C1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000646664854 565613317 /nfs/dbraw/zinc/61/33/17/565613317.db2.gz SVTNBJXCVUXBCY-JCYILVPMSA-N 2 2 380.330 2.972 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@@]3(O)CCOC3)c[nH+]c12 ZINC000647247221 565649787 /nfs/dbraw/zinc/64/97/87/565649787.db2.gz DDGHOIBLKCYQHB-QGZVFWFLSA-N 2 2 382.302 2.672 20 0 GFADLP C[NH+](C)CCC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000668785677 565667327 /nfs/dbraw/zinc/66/73/27/565667327.db2.gz UXYBJKUFMFFNEI-MRXNPFEDSA-N 2 2 381.318 2.639 20 0 GFADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@H]21 ZINC000627651789 565744988 /nfs/dbraw/zinc/74/49/88/565744988.db2.gz DFDCDFRRULKZCB-XWTMOSNGSA-N 2 2 392.341 2.604 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585076 565860541 /nfs/dbraw/zinc/86/05/41/565860541.db2.gz ZWTFCDPMLZPGGW-XWIAVFTESA-N 2 2 380.330 2.558 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Br)cc1 ZINC000629585076 565860545 /nfs/dbraw/zinc/86/05/45/565860545.db2.gz ZWTFCDPMLZPGGW-XWIAVFTESA-N 2 2 380.330 2.558 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1OCO2 ZINC000603516891 565910741 /nfs/dbraw/zinc/91/07/41/565910741.db2.gz FKGPLGRHPSLIJE-HNNXBMFYSA-N 2 2 397.313 2.911 20 0 GFADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000652351868 565923020 /nfs/dbraw/zinc/92/30/20/565923020.db2.gz AWNKBXWZSRBQQU-KSSFIOAISA-N 2 2 391.313 2.984 20 0 GFADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(Cc3cccc(Br)c3)no1)C2 ZINC000652351868 565923027 /nfs/dbraw/zinc/92/30/27/565923027.db2.gz AWNKBXWZSRBQQU-KSSFIOAISA-N 2 2 391.313 2.984 20 0 GFADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Br ZINC000631079116 565938385 /nfs/dbraw/zinc/93/83/85/565938385.db2.gz YVQSAWTYJQVGNP-IEBWSBKVSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Br ZINC000631079116 565938388 /nfs/dbraw/zinc/93/83/88/565938388.db2.gz YVQSAWTYJQVGNP-IEBWSBKVSA-N 2 2 390.325 2.817 20 0 GFADLP O[C@@]1(C[NH2+]Cc2ccncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000631077073 565938838 /nfs/dbraw/zinc/93/88/38/565938838.db2.gz CHUPUJVYTXPGFU-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@@]1(C[NH2+]Cc2ccncc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000631077073 565938843 /nfs/dbraw/zinc/93/88/43/565938843.db2.gz CHUPUJVYTXPGFU-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716808 565946317 /nfs/dbraw/zinc/94/63/17/565946317.db2.gz YTGXEQLLMIXDBJ-ZACQAIPSSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716808 565946323 /nfs/dbraw/zinc/94/63/23/565946323.db2.gz YTGXEQLLMIXDBJ-ZACQAIPSSA-N 2 2 393.329 2.780 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)n2c1 ZINC000678135696 566001380 /nfs/dbraw/zinc/00/13/80/566001380.db2.gz PXUYBVMHTYIBIA-KRWDZBQOSA-N 2 2 393.329 2.784 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)n2c1 ZINC000678135696 566001388 /nfs/dbraw/zinc/00/13/88/566001388.db2.gz PXUYBVMHTYIBIA-KRWDZBQOSA-N 2 2 393.329 2.784 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000678580790 566013072 /nfs/dbraw/zinc/01/30/72/566013072.db2.gz MUXCYAJGMWITTA-DZGCQCFKSA-N 2 2 376.302 2.746 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000678580790 566013075 /nfs/dbraw/zinc/01/30/75/566013075.db2.gz MUXCYAJGMWITTA-DZGCQCFKSA-N 2 2 376.302 2.746 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000678580791 566013284 /nfs/dbraw/zinc/01/32/84/566013284.db2.gz MUXCYAJGMWITTA-HIFRSBDPSA-N 2 2 376.302 2.746 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000678580791 566013290 /nfs/dbraw/zinc/01/32/90/566013290.db2.gz MUXCYAJGMWITTA-HIFRSBDPSA-N 2 2 376.302 2.746 20 0 GFADLP O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338931 566038308 /nfs/dbraw/zinc/03/83/08/566038308.db2.gz KJGLPMKTLMCOPY-FGTMMUONSA-N 2 2 383.330 2.716 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679341642 566038494 /nfs/dbraw/zinc/03/84/94/566038494.db2.gz URYXAOCOPPEEBV-FGTMMUONSA-N 2 2 382.346 2.505 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679341642 566038496 /nfs/dbraw/zinc/03/84/96/566038496.db2.gz URYXAOCOPPEEBV-FGTMMUONSA-N 2 2 382.346 2.505 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000657071598 566217713 /nfs/dbraw/zinc/21/77/13/566217713.db2.gz SCXJIIZACZGGOG-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000657071598 566217719 /nfs/dbraw/zinc/21/77/19/566217719.db2.gz SCXJIIZACZGGOG-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1-c1nn[nH]n1 ZINC000821809629 599406387 /nfs/dbraw/zinc/40/63/87/599406387.db2.gz PRESJJNDALPKPS-UHFFFAOYSA-N 2 2 392.507 2.938 20 0 GFADLP C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607293 599592930 /nfs/dbraw/zinc/59/29/30/599592930.db2.gz IMUXEZZTNKQLCT-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607293 599592931 /nfs/dbraw/zinc/59/29/31/599592931.db2.gz IMUXEZZTNKQLCT-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607293 599592932 /nfs/dbraw/zinc/59/29/32/599592932.db2.gz IMUXEZZTNKQLCT-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821607293 599592933 /nfs/dbraw/zinc/59/29/33/599592933.db2.gz IMUXEZZTNKQLCT-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886391 607512832 /nfs/dbraw/zinc/51/28/32/607512832.db2.gz YDIDVDJOXMGNKF-LPHOPBHVSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000824886391 607512834 /nfs/dbraw/zinc/51/28/34/607512834.db2.gz YDIDVDJOXMGNKF-LPHOPBHVSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886391 607512836 /nfs/dbraw/zinc/51/28/36/607512836.db2.gz YDIDVDJOXMGNKF-LPHOPBHVSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886391 607512837 /nfs/dbraw/zinc/51/28/37/607512837.db2.gz YDIDVDJOXMGNKF-LPHOPBHVSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H](c1ccccn1)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820571444 606110008 /nfs/dbraw/zinc/11/00/08/606110008.db2.gz YPXVCMSVILTTND-HNNXBMFYSA-N 2 2 386.463 2.693 20 0 GFADLP CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838680550 661053836 /nfs/dbraw/zinc/05/38/36/661053836.db2.gz JMCQBSGGUPKNPD-DOTOQJQBSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838680550 661053840 /nfs/dbraw/zinc/05/38/40/661053840.db2.gz JMCQBSGGUPKNPD-DOTOQJQBSA-N 2 2 391.387 2.770 20 0 GFADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411561 655348399 /nfs/dbraw/zinc/34/83/99/655348399.db2.gz BMTLEBTUZCBWIA-AWEZNQCLSA-N 2 2 381.318 2.687 20 0 GFADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411561 655348401 /nfs/dbraw/zinc/34/84/01/655348401.db2.gz BMTLEBTUZCBWIA-AWEZNQCLSA-N 2 2 381.318 2.687 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428488 /nfs/dbraw/zinc/42/84/88/655428488.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 2 391.313 2.533 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428492 /nfs/dbraw/zinc/42/84/92/655428492.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428493 /nfs/dbraw/zinc/42/84/93/655428493.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428496 /nfs/dbraw/zinc/42/84/96/655428496.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 2 391.313 2.533 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541107 655435217 /nfs/dbraw/zinc/43/52/17/655435217.db2.gz DIRQIIYWOLHFMP-RCBQFDQVSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541107 655435218 /nfs/dbraw/zinc/43/52/18/655435218.db2.gz DIRQIIYWOLHFMP-RCBQFDQVSA-N 2 2 386.277 2.805 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841099061 661232567 /nfs/dbraw/zinc/23/25/67/661232567.db2.gz CPESBKWEAPYOEN-CHWSQXEVSA-N 2 2 380.842 2.811 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092440 661367438 /nfs/dbraw/zinc/36/74/38/661367438.db2.gz CZMNFSNKUAYHOX-VQIMIIECSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092440 661367441 /nfs/dbraw/zinc/36/74/41/661367441.db2.gz CZMNFSNKUAYHOX-VQIMIIECSA-N 2 2 393.325 2.565 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000850434017 661776006 /nfs/dbraw/zinc/77/60/06/661776006.db2.gz UAFRRACMFYAHAE-ZMSDIMECSA-N 2 2 398.288 2.731 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000850434017 661776008 /nfs/dbraw/zinc/77/60/08/661776008.db2.gz UAFRRACMFYAHAE-ZMSDIMECSA-N 2 2 398.288 2.731 20 0 GFADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)cc1F ZINC000858126609 662099951 /nfs/dbraw/zinc/09/99/51/662099951.db2.gz CRQYMXDKQCCFLD-ZDUSSCGKSA-N 2 2 386.309 2.574 20 0 GFADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)cc1F ZINC000858126609 662099954 /nfs/dbraw/zinc/09/99/54/662099954.db2.gz CRQYMXDKQCCFLD-ZDUSSCGKSA-N 2 2 386.309 2.574 20 0 GFADLP CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172091 662271873 /nfs/dbraw/zinc/27/18/73/662271873.db2.gz PLGHRUXTJWBWIT-QGZVFWFLSA-N 2 2 384.362 2.942 20 0 GFADLP CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172091 662271875 /nfs/dbraw/zinc/27/18/75/662271875.db2.gz PLGHRUXTJWBWIT-QGZVFWFLSA-N 2 2 384.362 2.942 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483467 662424560 /nfs/dbraw/zinc/42/45/60/662424560.db2.gz RZIMMKCRHBBODD-SWLSCSKDSA-N 2 2 385.496 2.859 20 0 GFADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000876955724 662868655 /nfs/dbraw/zinc/86/86/55/662868655.db2.gz BLJXDYSLBOCEIY-AWEZNQCLSA-N 2 2 377.290 2.893 20 0 GFADLP CCn1c(Br)c(Br)nc1C[NH2+]CCn1cc[nH+]c1C ZINC000921628674 664558443 /nfs/dbraw/zinc/55/84/43/664558443.db2.gz QFKZEWCYCWAJGB-UHFFFAOYSA-N 2 2 391.111 2.723 20 0 GFADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(Br)n1 ZINC000924687259 664659582 /nfs/dbraw/zinc/65/95/82/664659582.db2.gz ANLUPWAUEHLWOQ-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cccc(Br)n2)nc[nH+]1 ZINC000925368673 664671181 /nfs/dbraw/zinc/67/11/81/664671181.db2.gz DOCAHRYXBLMMBD-QWHCGFSZSA-N 2 2 391.317 2.995 20 0 GFADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925585644 664673353 /nfs/dbraw/zinc/67/33/53/664673353.db2.gz IUGZPEPOANAIHA-PVAVHDDUSA-N 2 2 385.599 2.645 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833252 720505736 /nfs/dbraw/zinc/50/57/36/720505736.db2.gz CGOIUGJEFGKELR-GBESFXJTSA-N 2 2 383.544 2.507 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833252 720505740 /nfs/dbraw/zinc/50/57/40/720505740.db2.gz CGOIUGJEFGKELR-GBESFXJTSA-N 2 2 383.544 2.507 20 0 GFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164944481 721972460 /nfs/dbraw/zinc/97/24/60/721972460.db2.gz JDPXXRQGLDOKJJ-UHFFFAOYSA-N 2 2 390.531 2.931 20 0 GFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164944481 721972461 /nfs/dbraw/zinc/97/24/61/721972461.db2.gz JDPXXRQGLDOKJJ-UHFFFAOYSA-N 2 2 390.531 2.931 20 0 GFADLP CCSc1cc[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165004855 722257615 /nfs/dbraw/zinc/25/76/15/722257615.db2.gz WDBQTCOINGXJSV-UHFFFAOYSA-N 2 2 375.542 2.879 20 0 GFADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359872007 206265772 /nfs/dbraw/zinc/26/57/72/206265772.db2.gz KQPGAOYKOKPJMB-SFHVURJKSA-N 2 2 386.544 2.550 20 0 GFADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000359872007 206265774 /nfs/dbraw/zinc/26/57/74/206265774.db2.gz KQPGAOYKOKPJMB-SFHVURJKSA-N 2 2 386.544 2.550 20 0 GFADLP Cc1cc(Br)oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797941 551161793 /nfs/dbraw/zinc/16/17/93/551161793.db2.gz WQSAUNUAWMKVLB-UHFFFAOYSA-N 2 2 384.318 2.639 20 0 GFADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000120351060 551220056 /nfs/dbraw/zinc/22/00/56/551220056.db2.gz BITYOLPRWIZOOE-DOMZBBRYSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000120351060 551220059 /nfs/dbraw/zinc/22/00/59/551220059.db2.gz BITYOLPRWIZOOE-DOMZBBRYSA-N 2 2 394.317 2.578 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000131259262 551373241 /nfs/dbraw/zinc/37/32/41/551373241.db2.gz SUIFNPKMRSGEPE-GUYCJALGSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000131259262 551373242 /nfs/dbraw/zinc/37/32/42/551373242.db2.gz SUIFNPKMRSGEPE-GUYCJALGSA-N 2 2 391.313 2.664 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155286030 551496623 /nfs/dbraw/zinc/49/66/23/551496623.db2.gz IQWSWIRKCBZYBS-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155286030 551496625 /nfs/dbraw/zinc/49/66/25/551496625.db2.gz IQWSWIRKCBZYBS-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000184537550 552338054 /nfs/dbraw/zinc/33/80/54/552338054.db2.gz RRLYWOBDYCCMTM-UHFFFAOYSA-N 2 2 395.345 2.655 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000184537550 552338055 /nfs/dbraw/zinc/33/80/55/552338055.db2.gz RRLYWOBDYCCMTM-UHFFFAOYSA-N 2 2 395.345 2.655 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000191484880 552529785 /nfs/dbraw/zinc/52/97/85/552529785.db2.gz FUMYEADDEYQLIN-UHFFFAOYSA-N 2 2 394.317 2.954 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000261843457 553160905 /nfs/dbraw/zinc/16/09/05/553160905.db2.gz VCUSZGSXGWJRCK-YVEFUNNKSA-N 2 2 377.286 2.752 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418703845 563222801 /nfs/dbraw/zinc/22/28/01/563222801.db2.gz QXWUUIFNJGKZLN-JKIFEVAISA-N 2 2 397.361 2.963 20 0 GFADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420357301 563263111 /nfs/dbraw/zinc/26/31/11/563263111.db2.gz HEASISBHRZHOPN-LBPRGKRZSA-N 2 2 376.245 2.644 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038531 563319847 /nfs/dbraw/zinc/31/98/47/563319847.db2.gz IRPCJMUBFJLVSN-UWVGGRQHSA-N 2 2 377.297 2.577 20 0 GFADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280223253 563327690 /nfs/dbraw/zinc/32/76/90/563327690.db2.gz ANHCMNLUCAMKQK-UHFFFAOYSA-N 2 2 375.274 2.667 20 0 GFADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000280223253 563327694 /nfs/dbraw/zinc/32/76/94/563327694.db2.gz ANHCMNLUCAMKQK-UHFFFAOYSA-N 2 2 375.274 2.667 20 0 GFADLP C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422907472 563350924 /nfs/dbraw/zinc/35/09/24/563350924.db2.gz LHOLEKLGMHEAKB-PBHICJAKSA-N 2 2 382.346 2.918 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117692 563356181 /nfs/dbraw/zinc/35/61/81/563356181.db2.gz WTHHOQWCHVZGDI-CMPLNLGQSA-N 2 2 394.684 2.801 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302172696 563423047 /nfs/dbraw/zinc/42/30/47/563423047.db2.gz UZDZHUYTFJZNMO-CYBMUJFWSA-N 2 2 389.297 2.826 20 0 GFADLP c1nc(NCC2([NH+]3CCSCC3)CCCC2)cc(N2CCSCC2)[nH+]1 ZINC000302803883 563430274 /nfs/dbraw/zinc/43/02/74/563430274.db2.gz VMSVUCNJULEFIJ-UHFFFAOYSA-N 2 2 379.599 2.803 20 0 GFADLP COc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377626796 563481962 /nfs/dbraw/zinc/48/19/62/563481962.db2.gz MRQMLHSPXHKMHR-UHFFFAOYSA-N 2 2 396.373 2.917 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691465 563483331 /nfs/dbraw/zinc/48/33/31/563483331.db2.gz AAUVBFKIHSBYNA-STQMWFEESA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691465 563483333 /nfs/dbraw/zinc/48/33/33/563483333.db2.gz AAUVBFKIHSBYNA-STQMWFEESA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691465 563483334 /nfs/dbraw/zinc/48/33/34/563483334.db2.gz AAUVBFKIHSBYNA-STQMWFEESA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691465 563483336 /nfs/dbraw/zinc/48/33/36/563483336.db2.gz AAUVBFKIHSBYNA-STQMWFEESA-N 2 2 377.476 2.902 20 0 GFADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394547633 563530265 /nfs/dbraw/zinc/53/02/65/563530265.db2.gz ZZZLZLCQIAHPEZ-ZDUSSCGKSA-N 2 2 380.124 2.614 20 0 GFADLP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353451 563537248 /nfs/dbraw/zinc/53/72/48/563537248.db2.gz KJADVHVGWLAKPC-CJNGLKHVSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353451 563537251 /nfs/dbraw/zinc/53/72/51/563537251.db2.gz KJADVHVGWLAKPC-CJNGLKHVSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430959180 563550717 /nfs/dbraw/zinc/55/07/17/563550717.db2.gz WWUWKMLFSANEEJ-ZDUSSCGKSA-N 2 2 379.551 2.773 20 0 GFADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nn(C)cc2Br)CC1 ZINC000432779781 563592828 /nfs/dbraw/zinc/59/28/28/563592828.db2.gz LPESCZRVILBSMK-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nn(C)cc2Br)CC1 ZINC000432779781 563592832 /nfs/dbraw/zinc/59/28/32/563592832.db2.gz LPESCZRVILBSMK-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432941143 563597425 /nfs/dbraw/zinc/59/74/25/563597425.db2.gz UHTKNFVWCPZQDB-OKILXGFUSA-N 2 2 385.350 2.504 20 0 GFADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432941143 563597428 /nfs/dbraw/zinc/59/74/28/563597428.db2.gz UHTKNFVWCPZQDB-OKILXGFUSA-N 2 2 385.350 2.504 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435368834 563648615 /nfs/dbraw/zinc/64/86/15/563648615.db2.gz CENVZLCGQYHZHB-CJNGLKHVSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435368834 563648618 /nfs/dbraw/zinc/64/86/18/563648618.db2.gz CENVZLCGQYHZHB-CJNGLKHVSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414891953 563753346 /nfs/dbraw/zinc/75/33/46/563753346.db2.gz PAYBAAJQAAVSPD-HNNXBMFYSA-N 2 2 385.302 2.526 20 0 GFADLP COC[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944399 563755473 /nfs/dbraw/zinc/75/54/73/563755473.db2.gz NZSIPGCYJFGBIM-LJQANCHMSA-N 2 2 396.373 2.772 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141499 563760112 /nfs/dbraw/zinc/76/01/12/563760112.db2.gz PNFISXRQSLCUNJ-CHWSQXEVSA-N 2 2 389.352 2.775 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415141499 563760115 /nfs/dbraw/zinc/76/01/15/563760115.db2.gz PNFISXRQSLCUNJ-CHWSQXEVSA-N 2 2 389.352 2.775 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CCCC[NH3+])[nH+]c12 ZINC000417995508 563894196 /nfs/dbraw/zinc/89/41/96/563894196.db2.gz AZYIRONVMYNNOV-CYBMUJFWSA-N 2 2 396.333 2.764 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385117 564183126 /nfs/dbraw/zinc/18/31/26/564183126.db2.gz DTLBQIZDDWLAOV-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385117 564183128 /nfs/dbraw/zinc/18/31/28/564183128.db2.gz DTLBQIZDDWLAOV-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449388547 564183294 /nfs/dbraw/zinc/18/32/94/564183294.db2.gz AJLKWSJKPRKEOU-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449388547 564183297 /nfs/dbraw/zinc/18/32/97/564183297.db2.gz AJLKWSJKPRKEOU-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000449600614 564190649 /nfs/dbraw/zinc/19/06/49/564190649.db2.gz OTAKLDYCHQAOBV-IOASZLSFSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C[N@H+]1C1CC1 ZINC000449600614 564190655 /nfs/dbraw/zinc/19/06/55/564190655.db2.gz OTAKLDYCHQAOBV-IOASZLSFSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@@H](C)O1 ZINC000564855991 564252605 /nfs/dbraw/zinc/25/26/05/564252605.db2.gz JHOZEQCCFRYCCN-YRGRVCCFSA-N 2 2 391.737 2.662 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567363982 564369256 /nfs/dbraw/zinc/36/92/56/564369256.db2.gz XERKSTVUJJTWKW-OAHLLOKOSA-N 2 2 391.339 2.558 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH+](C[C@H]4CCOC4)CC3)c[nH+]c12 ZINC000544349937 564383304 /nfs/dbraw/zinc/38/33/04/564383304.db2.gz SXEVICSMMDLJHK-OAHLLOKOSA-N 2 2 393.329 2.559 20 0 GFADLP CN1C(=O)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000511943624 564385780 /nfs/dbraw/zinc/38/57/80/564385780.db2.gz UJLVFCDQDDOTAE-YJBOKZPZSA-N 2 2 378.929 2.920 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)Nc2cccc(Br)c2)s1 ZINC000511956793 564386769 /nfs/dbraw/zinc/38/67/69/564386769.db2.gz UMJZXYQMNLSCNF-UHFFFAOYSA-N 2 2 383.315 2.696 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000569292359 564457439 /nfs/dbraw/zinc/45/74/39/564457439.db2.gz LELFTYVDALPDFY-QGZVFWFLSA-N 2 2 380.330 2.750 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ncc(Br)cc1F ZINC000569472540 564464965 /nfs/dbraw/zinc/46/49/65/564464965.db2.gz CLLDNOHKMIOLBO-LLVKDONJSA-N 2 2 380.265 2.961 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)[nH+]c12 ZINC000546824550 564469799 /nfs/dbraw/zinc/46/97/99/564469799.db2.gz AYDNMOVETBBMBT-CYBMUJFWSA-N 2 2 394.317 2.641 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@H+](C)CC[C@H]3C)[nH+]c12 ZINC000546824550 564469803 /nfs/dbraw/zinc/46/98/03/564469803.db2.gz AYDNMOVETBBMBT-CYBMUJFWSA-N 2 2 394.317 2.641 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cn1 ZINC000569875798 564482093 /nfs/dbraw/zinc/48/20/93/564482093.db2.gz DBYDFKOMHTYNCW-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649470 564518732 /nfs/dbraw/zinc/51/87/32/564518732.db2.gz FIKUOCJMVBQUDM-MRRJBJDNSA-N 2 2 385.961 2.914 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649470 564518734 /nfs/dbraw/zinc/51/87/34/564518734.db2.gz FIKUOCJMVBQUDM-MRRJBJDNSA-N 2 2 385.961 2.914 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cc1Br ZINC000455868230 564577391 /nfs/dbraw/zinc/57/73/91/564577391.db2.gz QDEWVOMOELIMRY-NWDGAFQWSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]cc1Br ZINC000455868230 564577396 /nfs/dbraw/zinc/57/73/96/564577396.db2.gz QDEWVOMOELIMRY-NWDGAFQWSA-N 2 2 382.306 2.658 20 0 GFADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000572459894 564595375 /nfs/dbraw/zinc/59/53/75/564595375.db2.gz WILDPJWZMULLPH-OAHLLOKOSA-N 2 2 394.317 2.641 20 0 GFADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000572459894 564595377 /nfs/dbraw/zinc/59/53/77/564595377.db2.gz WILDPJWZMULLPH-OAHLLOKOSA-N 2 2 394.317 2.641 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000550828890 564632464 /nfs/dbraw/zinc/63/24/64/564632464.db2.gz LWUPXBGIUJBKGG-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)cc(Br)c1O ZINC000459401934 564742261 /nfs/dbraw/zinc/74/22/61/564742261.db2.gz JJTPYVOFVDJDQQ-AWEZNQCLSA-N 2 2 387.318 2.754 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2CCOC)cc(Br)c1O ZINC000459401934 564742262 /nfs/dbraw/zinc/74/22/62/564742262.db2.gz JJTPYVOFVDJDQQ-AWEZNQCLSA-N 2 2 387.318 2.754 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527693856 564756341 /nfs/dbraw/zinc/75/63/41/564756341.db2.gz ZLLUDVFZUWNROP-INIZCTEOSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ncc(Br)cc2F)C1 ZINC000527693856 564756344 /nfs/dbraw/zinc/75/63/44/564756344.db2.gz ZLLUDVFZUWNROP-INIZCTEOSA-N 2 2 394.288 2.840 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Br)cn1 ZINC000581333132 564798140 /nfs/dbraw/zinc/79/81/40/564798140.db2.gz QJDUXLJEEPJVTK-UHFFFAOYSA-N 2 2 379.302 2.859 20 0 GFADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1C ZINC000498249531 564893400 /nfs/dbraw/zinc/89/34/00/564893400.db2.gz FDTFSEPKFULXNI-STQMWFEESA-N 2 2 394.317 2.721 20 0 GFADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1C ZINC000498249531 564893401 /nfs/dbraw/zinc/89/34/01/564893401.db2.gz FDTFSEPKFULXNI-STQMWFEESA-N 2 2 394.317 2.721 20 0 GFADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533269647 564959771 /nfs/dbraw/zinc/95/97/71/564959771.db2.gz HAZBLDSTHORLJC-UHFFFAOYSA-N 2 2 393.329 2.762 20 0 GFADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000533269647 564959774 /nfs/dbraw/zinc/95/97/74/564959774.db2.gz HAZBLDSTHORLJC-UHFFFAOYSA-N 2 2 393.329 2.762 20 0 GFADLP C[C@@H](c1ccccc1Br)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501050059 564968260 /nfs/dbraw/zinc/96/82/60/564968260.db2.gz DBUKNUYSIXGPPX-HNNXBMFYSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)COc1cccc(Br)c1 ZINC000562993896 565051275 /nfs/dbraw/zinc/05/12/75/565051275.db2.gz RCARHQQNTHWORO-HNNXBMFYSA-N 2 2 380.286 2.676 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000563073942 565054793 /nfs/dbraw/zinc/05/47/93/565054793.db2.gz ZGBMUZYOZZZCMY-INIZCTEOSA-N 2 2 380.330 2.926 20 0 GFADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584524453 565085450 /nfs/dbraw/zinc/08/54/50/565085450.db2.gz FWRPZQWXMHEZCH-CQSZACIVSA-N 2 2 394.292 2.950 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000657306735 565095553 /nfs/dbraw/zinc/09/55/53/565095553.db2.gz UOSXWSVPAIHOLC-GOSISDBHSA-N 2 2 390.325 2.661 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000657306735 565095557 /nfs/dbraw/zinc/09/55/57/565095557.db2.gz UOSXWSVPAIHOLC-GOSISDBHSA-N 2 2 390.325 2.661 20 0 GFADLP Cc1cccc(Br)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637171745 565142247 /nfs/dbraw/zinc/14/22/47/565142247.db2.gz WTGDAFXXPALLJZ-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cccc(Br)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637171745 565142252 /nfs/dbraw/zinc/14/22/52/565142252.db2.gz WTGDAFXXPALLJZ-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cccc(Br)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637171746 565142609 /nfs/dbraw/zinc/14/26/09/565142609.db2.gz WTGDAFXXPALLJZ-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cccc(Br)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637171746 565142614 /nfs/dbraw/zinc/14/26/14/565142614.db2.gz WTGDAFXXPALLJZ-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP COc1nsc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1Br ZINC000638670032 565207334 /nfs/dbraw/zinc/20/73/34/565207334.db2.gz ZUGQMOGIDIVZCB-NSHDSACASA-N 2 2 390.347 2.505 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329911 565212916 /nfs/dbraw/zinc/21/29/16/565212916.db2.gz MMXHUAOMADVDKS-FJZAXULXSA-N 2 2 388.339 2.868 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329911 565212921 /nfs/dbraw/zinc/21/29/21/565212921.db2.gz MMXHUAOMADVDKS-FJZAXULXSA-N 2 2 388.339 2.868 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000659322073 565213117 /nfs/dbraw/zinc/21/31/17/565213117.db2.gz DNJYYSCHZNKQEE-ZDUSSCGKSA-N 2 2 392.322 2.901 20 0 GFADLP CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CCOC1 ZINC000639063547 565223373 /nfs/dbraw/zinc/22/33/73/565223373.db2.gz XUZUMDARTLDOLM-CJNGLKHVSA-N 2 2 382.302 2.589 20 0 GFADLP Ic1cccc(OCCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448518 565231205 /nfs/dbraw/zinc/23/12/05/565231205.db2.gz JVLMRLVRZNFUEH-XJKSGUPXSA-N 2 2 386.277 2.744 20 0 GFADLP Ic1cccc(OCCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000591448518 565231213 /nfs/dbraw/zinc/23/12/13/565231213.db2.gz JVLMRLVRZNFUEH-XJKSGUPXSA-N 2 2 386.277 2.744 20 0 GFADLP C[NH+]1CCO[C@H](CSCC(CSC[C@@H]2C[N@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359291 565272331 /nfs/dbraw/zinc/27/23/31/565272331.db2.gz RRWRNSJZJRUHCF-ROUUACIJSA-N 2 2 390.659 2.776 20 0 GFADLP C[NH+]1CCO[C@H](CSCC(CSC[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359291 565272335 /nfs/dbraw/zinc/27/23/35/565272335.db2.gz RRWRNSJZJRUHCF-ROUUACIJSA-N 2 2 390.659 2.776 20 0 GFADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288187 /nfs/dbraw/zinc/28/81/87/565288187.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288190 /nfs/dbraw/zinc/28/81/90/565288190.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288195 /nfs/dbraw/zinc/28/81/95/565288195.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288196 /nfs/dbraw/zinc/28/81/96/565288196.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281229 565357926 /nfs/dbraw/zinc/35/79/26/565357926.db2.gz KPJWJEBJOUIQOS-CVEARBPZSA-N 2 2 384.318 2.571 20 0 GFADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1Br ZINC000662354741 565361388 /nfs/dbraw/zinc/36/13/88/565361388.db2.gz YJJGVHAKLMADAI-MRXNPFEDSA-N 2 2 394.338 2.855 20 0 GFADLP [NH3+][C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1Br ZINC000662441684 565368932 /nfs/dbraw/zinc/36/89/32/565368932.db2.gz BHQQOTSYWJPILD-GFCCVEGCSA-N 2 2 391.191 2.524 20 0 GFADLP Cc1[nH+]ccn1CCCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662473102 565371585 /nfs/dbraw/zinc/37/15/85/565371585.db2.gz IKPUGLCTGYAOGE-UHFFFAOYSA-N 2 2 383.315 2.829 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643983230 565454336 /nfs/dbraw/zinc/45/43/36/565454336.db2.gz FLTNTZMCBHPGJX-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643983230 565454341 /nfs/dbraw/zinc/45/43/41/565454341.db2.gz FLTNTZMCBHPGJX-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000596655058 565531864 /nfs/dbraw/zinc/53/18/64/565531864.db2.gz SMYXDBBFIIYDAA-OFWKBQFLSA-N 2 2 384.261 2.847 20 0 GFADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646985661 565631425 /nfs/dbraw/zinc/63/14/25/565631425.db2.gz FQDLGZPQHZTMHF-IAGOWNOFSA-N 2 2 380.330 2.844 20 0 GFADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497373 565661745 /nfs/dbraw/zinc/66/17/45/565661745.db2.gz FETHAAYKHYUAKC-WMLDXEAASA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497373 565661749 /nfs/dbraw/zinc/66/17/49/565661749.db2.gz FETHAAYKHYUAKC-WMLDXEAASA-N 2 2 382.346 2.845 20 0 GFADLP O[C@H]1CC[N@@H+](C2CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741598 565664566 /nfs/dbraw/zinc/66/45/66/565664566.db2.gz VNMKWYXUUKQZEK-SFHVURJKSA-N 2 2 393.325 2.756 20 0 GFADLP O[C@H]1CC[N@H+](C2CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741598 565664573 /nfs/dbraw/zinc/66/45/73/565664573.db2.gz VNMKWYXUUKQZEK-SFHVURJKSA-N 2 2 393.325 2.756 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1Br)[N@H+](C)CCC[NH3+] ZINC000647848959 565679455 /nfs/dbraw/zinc/67/94/55/565679455.db2.gz BJIZFJXBPNNSQA-SECBINFHSA-N 2 2 393.123 2.819 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1Br)[N@@H+](C)CCC[NH3+] ZINC000647848959 565679459 /nfs/dbraw/zinc/67/94/59/565679459.db2.gz BJIZFJXBPNNSQA-SECBINFHSA-N 2 2 393.123 2.819 20 0 GFADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000647847559 565680000 /nfs/dbraw/zinc/68/00/00/565680000.db2.gz UPZSGXJYAXSPCP-UHFFFAOYSA-N 2 2 393.285 2.856 20 0 GFADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000647847559 565680006 /nfs/dbraw/zinc/68/00/06/565680006.db2.gz UPZSGXJYAXSPCP-UHFFFAOYSA-N 2 2 393.285 2.856 20 0 GFADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@H]21 ZINC000627651788 565745244 /nfs/dbraw/zinc/74/52/44/565745244.db2.gz DFDCDFRRULKZCB-XDNAFOTISA-N 2 2 392.341 2.604 20 0 GFADLP CN(C(=O)c1cscc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720653 565783442 /nfs/dbraw/zinc/78/34/42/565783442.db2.gz SYWPTTWJXXOWHU-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1cscc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720653 565783447 /nfs/dbraw/zinc/78/34/47/565783447.db2.gz SYWPTTWJXXOWHU-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798998 565847287 /nfs/dbraw/zinc/84/72/87/565847287.db2.gz ZZJWJPXOTGQRGN-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798998 565847292 /nfs/dbraw/zinc/84/72/92/565847292.db2.gz ZZJWJPXOTGQRGN-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1Br ZINC000675886619 565920108 /nfs/dbraw/zinc/92/01/08/565920108.db2.gz SQIUGHWRDYLMMS-ZIAGYGMSSA-N 2 2 388.375 2.568 20 0 GFADLP COCC[NH+]1CCC([NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631051230 565936752 /nfs/dbraw/zinc/93/67/52/565936752.db2.gz BRYMFYDNXCVQOJ-UHFFFAOYSA-N 2 2 375.282 2.797 20 0 GFADLP Cc1cc(N2CCC([NH2+]CCO)CC2)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000631185197 565946952 /nfs/dbraw/zinc/94/69/52/565946952.db2.gz BMNTYZUBKZPLBK-UHFFFAOYSA-N 2 2 391.313 2.765 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000653088689 565954007 /nfs/dbraw/zinc/95/40/07/565954007.db2.gz HPJQGFQASMFIEA-AWEZNQCLSA-N 2 2 388.375 2.717 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000653166008 565957287 /nfs/dbraw/zinc/95/72/87/565957287.db2.gz QDYLJQURWPICFT-SJORKVTESA-N 2 2 382.346 2.652 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000677149513 565961274 /nfs/dbraw/zinc/96/12/74/565961274.db2.gz DDVMEEBFMBXXKB-UHFFFAOYSA-N 2 2 399.347 2.981 20 0 GFADLP COc1cc(Br)c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000653646522 565974967 /nfs/dbraw/zinc/97/49/67/565974967.db2.gz VNCXMJSBCGKLBV-UHFFFAOYSA-N 2 2 381.274 2.512 20 0 GFADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887412 565981150 /nfs/dbraw/zinc/98/11/50/565981150.db2.gz NIVXFKIWWDCORU-BLLLJJGKSA-N 2 2 384.293 2.991 20 0 GFADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887412 565981151 /nfs/dbraw/zinc/98/11/51/565981151.db2.gz NIVXFKIWWDCORU-BLLLJJGKSA-N 2 2 384.293 2.991 20 0 GFADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887414 565981230 /nfs/dbraw/zinc/98/12/30/565981230.db2.gz NIVXFKIWWDCORU-MLGOLLRUSA-N 2 2 384.293 2.991 20 0 GFADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Br)cc1F ZINC000631887414 565981233 /nfs/dbraw/zinc/98/12/33/565981233.db2.gz NIVXFKIWWDCORU-MLGOLLRUSA-N 2 2 384.293 2.991 20 0 GFADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678767749 566019595 /nfs/dbraw/zinc/01/95/95/566019595.db2.gz QMYMKVIEHKHQBH-PXAZEXFGSA-N 2 2 398.370 2.596 20 0 GFADLP Cn1ncc(Br)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020492 566189252 /nfs/dbraw/zinc/18/92/52/566189252.db2.gz LNWMRIWHMMMFAK-WMLDXEAASA-N 2 2 377.286 2.528 20 0 GFADLP Cc1cccc2c(NC[C@H](c3cccs3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407467 599121781 /nfs/dbraw/zinc/12/17/81/599121781.db2.gz BOQAOUIMGYDKCP-OAHLLOKOSA-N 2 2 379.493 2.922 20 0 GFADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](c3ccco3)[NH+](C)C)c2c1 ZINC000737248680 599255176 /nfs/dbraw/zinc/25/51/76/599255176.db2.gz JYIXGPASDYQGMP-MRXNPFEDSA-N 2 2 377.452 2.761 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412071 608314371 /nfs/dbraw/zinc/31/43/71/608314371.db2.gz JECIRGGOCHAFBU-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825412071 608314374 /nfs/dbraw/zinc/31/43/74/608314374.db2.gz JECIRGGOCHAFBU-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980425 660212788 /nfs/dbraw/zinc/21/27/88/660212788.db2.gz ASXBRJKVABYGCO-RISCZKNCSA-N 2 2 376.469 2.860 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306150 660368126 /nfs/dbraw/zinc/36/81/26/660368126.db2.gz RASPXZBGYCHSHI-QGZVFWFLSA-N 2 2 388.339 2.511 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306150 660368128 /nfs/dbraw/zinc/36/81/28/660368128.db2.gz RASPXZBGYCHSHI-QGZVFWFLSA-N 2 2 388.339 2.511 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000823815915 660380746 /nfs/dbraw/zinc/38/07/46/660380746.db2.gz MKHVBKPMGMGSDZ-UHFFFAOYSA-N 2 2 381.830 2.759 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC000823815915 660380748 /nfs/dbraw/zinc/38/07/48/660380748.db2.gz MKHVBKPMGMGSDZ-UHFFFAOYSA-N 2 2 381.830 2.759 20 0 GFADLP Cc1cc([C@H]([NH3+])CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(Cl)n1 ZINC000826030976 660448049 /nfs/dbraw/zinc/44/80/49/660448049.db2.gz ZHQSATCLHZCHFD-MRXNPFEDSA-N 2 2 378.929 2.839 20 0 GFADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000135299202 655013456 /nfs/dbraw/zinc/01/34/56/655013456.db2.gz RHQJPYQKSJWYDQ-QGZVFWFLSA-N 2 2 394.288 2.966 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)oc2ccc(Br)cc21 ZINC000162829517 655133733 /nfs/dbraw/zinc/13/37/33/655133733.db2.gz XBHFRAMWKPHMGJ-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)oc2ccc(Br)cc21 ZINC000162829517 655133738 /nfs/dbraw/zinc/13/37/38/655133738.db2.gz XBHFRAMWKPHMGJ-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574274197 655427703 /nfs/dbraw/zinc/42/77/03/655427703.db2.gz NYBZOQMQCSMHHK-HKUYNNGSSA-N 2 2 392.341 2.798 20 0 GFADLP FC(F)(F)c1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134124 655444051 /nfs/dbraw/zinc/44/40/51/655444051.db2.gz ONBFVCZMHMTJEF-AWEZNQCLSA-N 2 2 392.263 2.947 20 0 GFADLP FC(F)(F)c1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134124 655444053 /nfs/dbraw/zinc/44/40/53/655444053.db2.gz ONBFVCZMHMTJEF-AWEZNQCLSA-N 2 2 392.263 2.947 20 0 GFADLP CN(CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH+](C)C ZINC000579034672 655492199 /nfs/dbraw/zinc/49/21/99/655492199.db2.gz NGTKAFPEPDSPNJ-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP CN(CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH+](C)C ZINC000579034672 655492200 /nfs/dbraw/zinc/49/22/00/655492200.db2.gz NGTKAFPEPDSPNJ-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722308 655600872 /nfs/dbraw/zinc/60/08/72/655600872.db2.gz ZGLUDMWMGYRWMN-OAHLLOKOSA-N 2 2 397.386 2.904 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3cccc(Br)c3)C2)CC1 ZINC000732722308 655600873 /nfs/dbraw/zinc/60/08/73/655600873.db2.gz ZGLUDMWMGYRWMN-OAHLLOKOSA-N 2 2 397.386 2.904 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000799933933 659246714 /nfs/dbraw/zinc/24/67/14/659246714.db2.gz GPVMNLAGCTTWGB-VXGBXAGGSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000799933933 659246725 /nfs/dbraw/zinc/24/67/25/659246725.db2.gz GPVMNLAGCTTWGB-VXGBXAGGSA-N 2 2 380.261 2.833 20 0 GFADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000846217383 661538511 /nfs/dbraw/zinc/53/85/11/661538511.db2.gz FYPGAMIFMPHCIA-UHFFFAOYSA-N 2 2 394.368 2.819 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350235 661771326 /nfs/dbraw/zinc/77/13/26/661771326.db2.gz QMUQGGHIUBHBRX-RUZDIDTESA-N 2 2 377.476 2.622 20 0 GFADLP C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854504710 661937743 /nfs/dbraw/zinc/93/77/43/661937743.db2.gz SFKIJFSDPZHQBY-UHFFFAOYSA-N 2 2 391.313 2.838 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863575711 662336856 /nfs/dbraw/zinc/33/68/56/662336856.db2.gz RJESKJOCLUXSLV-LBPRGKRZSA-N 2 2 380.842 2.683 20 0 GFADLP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866609584 662484020 /nfs/dbraw/zinc/48/40/20/662484020.db2.gz HUMXJIGMZYHLCU-LULLPPNCSA-N 2 2 377.326 2.930 20 0 GFADLP Cc1ccnc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000877527315 662878039 /nfs/dbraw/zinc/87/80/39/662878039.db2.gz YNWLNUIQCVSNFI-MRXNPFEDSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1ccnc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000877527315 662878041 /nfs/dbraw/zinc/87/80/41/662878041.db2.gz YNWLNUIQCVSNFI-MRXNPFEDSA-N 2 2 381.362 2.753 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324878 662893898 /nfs/dbraw/zinc/89/38/98/662893898.db2.gz PMJHKYMZDBSTFR-MDASCCDHSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324878 662893900 /nfs/dbraw/zinc/89/39/00/662893900.db2.gz PMJHKYMZDBSTFR-MDASCCDHSA-N 2 2 386.367 2.985 20 0 GFADLP Cc1[nH]c(C2CC[NH+](Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)[nH+]c1C ZINC000886660942 663115284 /nfs/dbraw/zinc/11/52/84/663115284.db2.gz IRWMTFUEPMXKMP-UHFFFAOYSA-N 2 2 382.555 2.718 20 0 GFADLP C[N@H+](Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459854 663462996 /nfs/dbraw/zinc/46/29/96/663462996.db2.gz PYJZDLWGZIMEHB-CQSZACIVSA-N 2 2 376.492 2.848 20 0 GFADLP C[N@@H+](Cc1cnc(CC(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459854 663462998 /nfs/dbraw/zinc/46/29/98/663462998.db2.gz PYJZDLWGZIMEHB-CQSZACIVSA-N 2 2 376.492 2.848 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547470 677395281 /nfs/dbraw/zinc/39/52/81/677395281.db2.gz JRZIWWCGSGHZKR-OAHLLOKOSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547470 677395282 /nfs/dbraw/zinc/39/52/82/677395282.db2.gz JRZIWWCGSGHZKR-OAHLLOKOSA-N 2 2 391.339 2.512 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839203 720505976 /nfs/dbraw/zinc/50/59/76/720505976.db2.gz SZBZEVVOEFCGBB-KZNAEPCWSA-N 2 2 379.512 2.841 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839203 720505979 /nfs/dbraw/zinc/50/59/79/720505979.db2.gz SZBZEVVOEFCGBB-KZNAEPCWSA-N 2 2 379.512 2.841 20 0 GFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766185 721237467 /nfs/dbraw/zinc/23/74/67/721237467.db2.gz STTMIUYUKNIYBN-IAGOWNOFSA-N 2 2 376.508 2.743 20 0 GFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766185 721237471 /nfs/dbraw/zinc/23/74/71/721237471.db2.gz STTMIUYUKNIYBN-IAGOWNOFSA-N 2 2 376.508 2.743 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164948283 721974763 /nfs/dbraw/zinc/97/47/63/721974763.db2.gz WTVLDRVUKJHPDF-UHFFFAOYSA-N 2 2 394.519 2.840 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164948283 721974766 /nfs/dbraw/zinc/97/47/66/721974766.db2.gz WTVLDRVUKJHPDF-UHFFFAOYSA-N 2 2 394.519 2.840 20 0 GFADLP Cc1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000359954996 206272655 /nfs/dbraw/zinc/27/26/55/206272655.db2.gz GLGYFYKPBKOVCD-UHFFFAOYSA-N 2 2 381.505 2.985 20 0 GFADLP Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000359954996 206272659 /nfs/dbraw/zinc/27/26/59/206272659.db2.gz GLGYFYKPBKOVCD-UHFFFAOYSA-N 2 2 381.505 2.985 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+](Cc4cccc(O)c4)CC3)sc2C1 ZINC000359960363 206273740 /nfs/dbraw/zinc/27/37/40/206273740.db2.gz ONAFSNDLTOJBDP-UHFFFAOYSA-N 2 2 386.565 2.933 20 0 GFADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](Cc4cccc(O)c4)CC3)sc2C1 ZINC000359960363 206273744 /nfs/dbraw/zinc/27/37/44/206273744.db2.gz ONAFSNDLTOJBDP-UHFFFAOYSA-N 2 2 386.565 2.933 20 0 GFADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)cc1Br ZINC000158693082 551555482 /nfs/dbraw/zinc/55/54/82/551555482.db2.gz HLOBCDXTAHIBFE-UHFFFAOYSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000164395365 551625199 /nfs/dbraw/zinc/62/51/99/551625199.db2.gz HGIAFGBHTSQCMB-INIZCTEOSA-N 2 2 399.377 2.906 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000175209312 552117402 /nfs/dbraw/zinc/11/74/02/552117402.db2.gz VPPDAZJQAGHWRO-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000178976309 552181103 /nfs/dbraw/zinc/18/11/03/552181103.db2.gz MJIJOGXCCRSFPG-SFHVURJKSA-N 2 2 378.567 2.764 20 0 GFADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(Br)s1)N1CC[NH+](C)CC1 ZINC000179200772 552186547 /nfs/dbraw/zinc/18/65/47/552186547.db2.gz DRLRQCTVJSASGF-STQMWFEESA-N 2 2 375.380 2.828 20 0 GFADLP Cc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1Br ZINC000190055359 552485927 /nfs/dbraw/zinc/48/59/27/552485927.db2.gz MXMPACXIPTUJJY-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP [NH3+]Cc1nc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cs1 ZINC000238036674 553085288 /nfs/dbraw/zinc/08/52/88/553085288.db2.gz BFSZSOQUPKQMIZ-AWEZNQCLSA-N 2 2 382.892 2.961 20 0 GFADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796063 553159797 /nfs/dbraw/zinc/15/97/97/553159797.db2.gz GOXGTVPYCUKEBU-CABCVRRESA-N 2 2 382.346 2.845 20 0 GFADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796063 553159800 /nfs/dbraw/zinc/15/98/00/553159800.db2.gz GOXGTVPYCUKEBU-CABCVRRESA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418553747 563220164 /nfs/dbraw/zinc/22/01/64/563220164.db2.gz MVBVVIBKBNJZOM-PBHICJAKSA-N 2 2 397.361 2.965 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370710610 563253100 /nfs/dbraw/zinc/25/31/00/563253100.db2.gz UKWTUKHLHZWHPF-BEFAXECRSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370710610 563253103 /nfs/dbraw/zinc/25/31/03/563253103.db2.gz UKWTUKHLHZWHPF-BEFAXECRSA-N 2 2 396.373 2.916 20 0 GFADLP C[C@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415698 563263858 /nfs/dbraw/zinc/26/38/58/563263858.db2.gz VCGIWYVRRNQLJX-JSGCOSHPSA-N 2 2 379.302 2.840 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415698 563263859 /nfs/dbraw/zinc/26/38/59/563263859.db2.gz VCGIWYVRRNQLJX-JSGCOSHPSA-N 2 2 379.302 2.840 20 0 GFADLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047471 563294158 /nfs/dbraw/zinc/29/41/58/563294158.db2.gz ROKCZGKHEOIDSM-RTBURBONSA-N 2 2 396.373 2.896 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772514 563348847 /nfs/dbraw/zinc/34/88/47/563348847.db2.gz ZFMCHGFTZNCCGS-DOMZBBRYSA-N 2 2 389.359 2.589 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950198 563351904 /nfs/dbraw/zinc/35/19/04/563351904.db2.gz XIBJVMZGILGLMV-ZWNOBZJWSA-N 2 2 379.245 2.907 20 0 GFADLP Brc1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)c2c1 ZINC000423034260 563353483 /nfs/dbraw/zinc/35/34/83/563353483.db2.gz PQSCFEDZNQDMBD-QZTJIDSGSA-N 2 2 378.314 2.830 20 0 GFADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423051131 563353989 /nfs/dbraw/zinc/35/39/89/563353989.db2.gz ZWMQLYUQOFYUTF-DYVFJYSZSA-N 2 2 376.298 2.936 20 0 GFADLP Cc1[nH+]ccn1CCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000374035094 563359141 /nfs/dbraw/zinc/35/91/41/563359141.db2.gz IZDXXYUITXBAAF-UHFFFAOYSA-N 2 2 385.331 2.784 20 0 GFADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000375504663 563406995 /nfs/dbraw/zinc/40/69/95/563406995.db2.gz HWVVCROVRVMVPR-IIDMSEBBSA-N 2 2 389.297 2.779 20 0 GFADLP C[C@@H](C[NH2+]Cc1ncc(I)s1)C[NH+]1CCCCC1 ZINC000302538299 563425942 /nfs/dbraw/zinc/42/59/42/563425942.db2.gz IDRCMFRLQJOSRA-NSHDSACASA-N 2 2 379.311 2.959 20 0 GFADLP C[C@H](C[NH2+]Cc1ncc(I)s1)C[NH+]1CCCCC1 ZINC000302538298 563426154 /nfs/dbraw/zinc/42/61/54/563426154.db2.gz IDRCMFRLQJOSRA-LLVKDONJSA-N 2 2 379.311 2.959 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608622 563546832 /nfs/dbraw/zinc/54/68/32/563546832.db2.gz DYISBCFYQVRFQD-ZBFHGGJFSA-N 2 2 382.346 2.727 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608622 563546833 /nfs/dbraw/zinc/54/68/33/563546833.db2.gz DYISBCFYQVRFQD-ZBFHGGJFSA-N 2 2 382.346 2.727 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000332304331 563591866 /nfs/dbraw/zinc/59/18/66/563591866.db2.gz GNRPOQLUZONOFN-YWPYICTPSA-N 2 2 387.343 2.645 20 0 GFADLP Brc1ccn2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000289592309 563679940 /nfs/dbraw/zinc/67/99/40/563679940.db2.gz UGMUIMSWGSZZMB-CQSZACIVSA-N 2 2 393.329 2.687 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363783255 563733069 /nfs/dbraw/zinc/73/30/69/563733069.db2.gz JUQKDWNQSIPUGS-NVXWUHKLSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363783255 563733072 /nfs/dbraw/zinc/73/30/72/563733072.db2.gz JUQKDWNQSIPUGS-NVXWUHKLSA-N 2 2 392.345 2.931 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1OCC ZINC000415098621 563759047 /nfs/dbraw/zinc/75/90/47/563759047.db2.gz WHZVCKLJTNRELC-AWEZNQCLSA-N 2 2 387.318 2.715 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415109660 563759739 /nfs/dbraw/zinc/75/97/39/563759739.db2.gz NUBNETIVQYKCKT-KRWDZBQOSA-N 2 2 393.329 2.801 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415109660 563759740 /nfs/dbraw/zinc/75/97/40/563759740.db2.gz NUBNETIVQYKCKT-KRWDZBQOSA-N 2 2 393.329 2.801 20 0 GFADLP CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443067493 563790451 /nfs/dbraw/zinc/79/04/51/563790451.db2.gz GULMIOJZALZYGN-CQSZACIVSA-N 2 2 379.551 2.774 20 0 GFADLP CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443067493 563790453 /nfs/dbraw/zinc/79/04/53/563790453.db2.gz GULMIOJZALZYGN-CQSZACIVSA-N 2 2 379.551 2.774 20 0 GFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462410 563809201 /nfs/dbraw/zinc/80/92/01/563809201.db2.gz DRHVWAIPTFEDNI-UWVGGRQHSA-N 2 2 389.308 2.503 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481682 563846170 /nfs/dbraw/zinc/84/61/70/563846170.db2.gz WIGRZLIZFMFEOO-QAPCUYQASA-N 2 2 392.345 2.931 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481682 563846173 /nfs/dbraw/zinc/84/61/73/563846173.db2.gz WIGRZLIZFMFEOO-QAPCUYQASA-N 2 2 392.345 2.931 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418015884 563895347 /nfs/dbraw/zinc/89/53/47/563895347.db2.gz FGKVRRYVIWMWMN-AAEUAGOBSA-N 2 2 394.317 2.532 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3([NH3+])CCCCC3)[nH+]c12 ZINC000418021612 563895415 /nfs/dbraw/zinc/89/54/15/563895415.db2.gz JZJUTNRZNPMOLT-UHFFFAOYSA-N 2 2 394.317 2.866 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC([C@@H](C)[NH3+])CC3)[nH+]c12 ZINC000418021385 563895530 /nfs/dbraw/zinc/89/55/30/563895530.db2.gz JCRPHOXGGRJAHX-GFCCVEGCSA-N 2 2 394.317 2.674 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)CC(C)(C)C[NH3+])[nH+]c12 ZINC000418021351 563895696 /nfs/dbraw/zinc/89/56/96/563895696.db2.gz IXCKFQKGZVUXMF-UHFFFAOYSA-N 2 2 382.306 2.532 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3(C)CC[NH2+]CC3)[nH+]c12 ZINC000418024306 563895805 /nfs/dbraw/zinc/89/58/05/563895805.db2.gz MVMKHYDOUIRWLM-UHFFFAOYSA-N 2 2 394.317 2.594 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394348 564184597 /nfs/dbraw/zinc/18/45/97/564184597.db2.gz NTZNQMGSZCWMDI-CQSZACIVSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000449394348 564184602 /nfs/dbraw/zinc/18/46/02/564184602.db2.gz NTZNQMGSZCWMDI-CQSZACIVSA-N 2 2 393.272 2.987 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000449686171 564197207 /nfs/dbraw/zinc/19/72/07/564197207.db2.gz VKXNNYOHRZWTST-SNPRPXQTSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000449686171 564197209 /nfs/dbraw/zinc/19/72/09/564197209.db2.gz VKXNNYOHRZWTST-SNPRPXQTSA-N 2 2 385.321 2.954 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565232889 564272194 /nfs/dbraw/zinc/27/21/94/564272194.db2.gz GFNTVTYQABORHT-HUUCEWRRSA-N 2 2 398.370 2.693 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565232889 564272199 /nfs/dbraw/zinc/27/21/99/564272199.db2.gz GFNTVTYQABORHT-HUUCEWRRSA-N 2 2 398.370 2.693 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533585 564285714 /nfs/dbraw/zinc/28/57/14/564285714.db2.gz ACNUXMVTFQLUJX-AGIUHOORSA-N 2 2 385.302 2.638 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000566854766 564346569 /nfs/dbraw/zinc/34/65/69/564346569.db2.gz LTKKWQPMUIEHCZ-KBRIMQKVSA-N 2 2 380.330 2.700 20 0 GFADLP Cc1cnn(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510886769 564349401 /nfs/dbraw/zinc/34/94/01/564349401.db2.gz FMJQRTPLKXYQBZ-UHFFFAOYSA-N 2 2 378.274 2.946 20 0 GFADLP Cc1cnn(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510886769 564349404 /nfs/dbraw/zinc/34/94/04/564349404.db2.gz FMJQRTPLKXYQBZ-UHFFFAOYSA-N 2 2 378.274 2.946 20 0 GFADLP CCN(C)C(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934144 564350882 /nfs/dbraw/zinc/35/08/82/564350882.db2.gz QJCNLGBGOHZAEK-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP CCN(C)C(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934144 564350885 /nfs/dbraw/zinc/35/08/85/564350885.db2.gz QJCNLGBGOHZAEK-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512083204 564391269 /nfs/dbraw/zinc/39/12/69/564391269.db2.gz NZFMIYRBZFGWMY-NSHDSACASA-N 2 2 379.311 2.958 20 0 GFADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512083204 564391272 /nfs/dbraw/zinc/39/12/72/564391272.db2.gz NZFMIYRBZFGWMY-NSHDSACASA-N 2 2 379.311 2.958 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111550 564446811 /nfs/dbraw/zinc/44/68/11/564446811.db2.gz OVRZNFOWRWAQIC-ZWKOTPCHSA-N 2 2 394.357 2.700 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111550 564446816 /nfs/dbraw/zinc/44/68/16/564446816.db2.gz OVRZNFOWRWAQIC-ZWKOTPCHSA-N 2 2 394.357 2.700 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]CCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000480328008 564468343 /nfs/dbraw/zinc/46/83/43/564468343.db2.gz NHVANYAAGKASPF-OAHLLOKOSA-N 2 2 387.343 2.743 20 0 GFADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546898979 564473673 /nfs/dbraw/zinc/47/36/73/564473673.db2.gz HBPQPENOPLHSOU-HNNXBMFYSA-N 2 2 379.302 2.896 20 0 GFADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546898979 564473675 /nfs/dbraw/zinc/47/36/75/564473675.db2.gz HBPQPENOPLHSOU-HNNXBMFYSA-N 2 2 379.302 2.896 20 0 GFADLP COCC[NH2+]CC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000571623044 564559187 /nfs/dbraw/zinc/55/91/87/564559187.db2.gz RPOINBOWQDXNQR-UHFFFAOYSA-N 2 2 396.123 2.546 20 0 GFADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000523298345 564664083 /nfs/dbraw/zinc/66/40/83/564664083.db2.gz DKPUHUILOVBJCN-UHFFFAOYSA-N 2 2 377.286 2.573 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H](C3CC3)[C@@]3(CO)CCCO3)c[nH+]c12 ZINC000552422950 564690313 /nfs/dbraw/zinc/69/03/13/564690313.db2.gz KYGRUIWTPDZKPU-AEFFLSMTSA-N 2 2 394.313 2.815 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H](C3CC3)[C@]3(CO)CCCO3)c[nH+]c12 ZINC000552422952 564690837 /nfs/dbraw/zinc/69/08/37/564690837.db2.gz KYGRUIWTPDZKPU-SJLPKXTDSA-N 2 2 394.313 2.815 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063087 564740465 /nfs/dbraw/zinc/74/04/65/564740465.db2.gz ZHLHOWXDMBCDBP-LYRGGWFBSA-N 2 2 382.892 2.745 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063087 564740466 /nfs/dbraw/zinc/74/04/66/564740466.db2.gz ZHLHOWXDMBCDBP-LYRGGWFBSA-N 2 2 382.892 2.745 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)s1 ZINC000492227786 564800372 /nfs/dbraw/zinc/80/03/72/564800372.db2.gz SJTNJLWEGGHACE-CQSZACIVSA-N 2 2 388.306 2.930 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000581496722 564805005 /nfs/dbraw/zinc/80/50/05/564805005.db2.gz WGOFBAGTUOWANG-GFCCVEGCSA-N 2 2 382.295 2.716 20 0 GFADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581883178 564822008 /nfs/dbraw/zinc/82/20/08/564822008.db2.gz OUWKFHKEMOYHME-WMLDXEAASA-N 2 2 380.330 2.702 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990186 564952036 /nfs/dbraw/zinc/95/20/36/564952036.db2.gz LRGMYWCOQGJUNO-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990186 564952039 /nfs/dbraw/zinc/95/20/39/564952039.db2.gz LRGMYWCOQGJUNO-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004632 565002462 /nfs/dbraw/zinc/00/24/62/565002462.db2.gz NZXYVNCTYOPMPK-HZPDHXFCSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004632 565002466 /nfs/dbraw/zinc/00/24/66/565002466.db2.gz NZXYVNCTYOPMPK-HZPDHXFCSA-N 2 2 381.973 2.983 20 0 GFADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)no1 ZINC000469489816 565018548 /nfs/dbraw/zinc/01/85/48/565018548.db2.gz LEONXUSVWOIXMY-UHFFFAOYSA-N 2 2 381.274 2.813 20 0 GFADLP COC[C@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C1CCOCC1 ZINC000657565884 565109353 /nfs/dbraw/zinc/10/93/53/565109353.db2.gz VWHRJQVPBDEEMU-INIZCTEOSA-N 2 2 382.302 2.936 20 0 GFADLP C[NH+](C)C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474177 565159273 /nfs/dbraw/zinc/15/92/73/565159273.db2.gz XCWFUJJQWJSLCU-LRDDRELGSA-N 2 2 382.295 2.717 20 0 GFADLP Ic1cccc(OCCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448515 565230661 /nfs/dbraw/zinc/23/06/61/565230661.db2.gz JVLMRLVRZNFUEH-BBRMVZONSA-N 2 2 386.277 2.744 20 0 GFADLP Ic1cccc(OCCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000591448515 565230665 /nfs/dbraw/zinc/23/06/65/565230665.db2.gz JVLMRLVRZNFUEH-BBRMVZONSA-N 2 2 386.277 2.744 20 0 GFADLP F[C@@H]1C[NH2+][C@H](C[NH2+][C@H]2CCCOc3ccc(I)cc32)C1 ZINC000591581171 565234140 /nfs/dbraw/zinc/23/41/40/565234140.db2.gz MIOIRPIKWWXFQT-JKOKRWQUSA-N 2 2 390.240 2.795 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660115991 565254658 /nfs/dbraw/zinc/25/46/58/565254658.db2.gz FXFUITCQZWINQA-HRCADAONSA-N 2 2 384.318 2.536 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660115991 565254661 /nfs/dbraw/zinc/25/46/61/565254661.db2.gz FXFUITCQZWINQA-HRCADAONSA-N 2 2 384.318 2.536 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617765651 565258408 /nfs/dbraw/zinc/25/84/08/565258408.db2.gz KYGUVYJVRHEGAY-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617765651 565258413 /nfs/dbraw/zinc/25/84/13/565258413.db2.gz KYGUVYJVRHEGAY-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000660834887 565295403 /nfs/dbraw/zinc/29/54/03/565295403.db2.gz RFLYOAKWPVBRPQ-UHFFFAOYSA-N 2 2 377.480 2.549 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000660834887 565295407 /nfs/dbraw/zinc/29/54/07/565295407.db2.gz RFLYOAKWPVBRPQ-UHFFFAOYSA-N 2 2 377.480 2.549 20 0 GFADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291557 565359005 /nfs/dbraw/zinc/35/90/05/565359005.db2.gz IBAALLXRPFBUMO-RDJZCZTQSA-N 2 2 380.330 2.687 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)c1ccsc1 ZINC000662379107 565364731 /nfs/dbraw/zinc/36/47/31/565364731.db2.gz PTKSFJCTCABKSI-GJZGRUSLSA-N 2 2 382.327 2.930 20 0 GFADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663521 565381125 /nfs/dbraw/zinc/38/11/25/565381125.db2.gz NUAAYSFLLJUONO-ABAIWWIYSA-N 2 2 376.448 2.856 20 0 GFADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663521 565381130 /nfs/dbraw/zinc/38/11/30/565381130.db2.gz NUAAYSFLLJUONO-ABAIWWIYSA-N 2 2 376.448 2.856 20 0 GFADLP Clc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Cl)s1 ZINC000641787169 565400201 /nfs/dbraw/zinc/40/02/01/565400201.db2.gz PHBLEEWZPRZYCM-CQSZACIVSA-N 2 2 378.369 2.941 20 0 GFADLP Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)c(C)[nH+]1 ZINC000663378529 565416084 /nfs/dbraw/zinc/41/60/84/565416084.db2.gz PQRLWIHVVDZPEJ-UHFFFAOYSA-N 2 2 391.317 2.615 20 0 GFADLP CCC(F)(F)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624148038 565545323 /nfs/dbraw/zinc/54/53/23/565545323.db2.gz STGNZFXSFZYZPF-AWEZNQCLSA-N 2 2 377.501 2.613 20 0 GFADLP Cc1c(Br)cncc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162412 565629832 /nfs/dbraw/zinc/62/98/32/565629832.db2.gz ZFOFSCNRXLKNBT-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1c(Br)cncc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162412 565629837 /nfs/dbraw/zinc/62/98/37/565629837.db2.gz ZFOFSCNRXLKNBT-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646996897 565631091 /nfs/dbraw/zinc/63/10/91/565631091.db2.gz CBTOFIULNNHHSZ-IXDOHACOSA-N 2 2 380.330 2.972 20 0 GFADLP Cc1[nH+]cc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1C ZINC000668166990 565631217 /nfs/dbraw/zinc/63/12/17/565631217.db2.gz PBIOMCWTPIDZMZ-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP [NH3+]CC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(F)F ZINC000647071349 565635839 /nfs/dbraw/zinc/63/58/39/565635839.db2.gz NZEIKTBKXSJNPD-ZIAGYGMSSA-N 2 2 390.272 2.685 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906977 565992153 /nfs/dbraw/zinc/99/21/53/565992153.db2.gz YNVVFQWINKDEMZ-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906977 565992159 /nfs/dbraw/zinc/99/21/59/565992159.db2.gz YNVVFQWINKDEMZ-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn2cc(Br)ccc2n1 ZINC000678719212 566017418 /nfs/dbraw/zinc/01/74/18/566017418.db2.gz DGCTUXWJJXFAJW-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn2cc(Br)ccc2n1 ZINC000678719212 566017424 /nfs/dbraw/zinc/01/74/24/566017424.db2.gz DGCTUXWJJXFAJW-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679341643 566038423 /nfs/dbraw/zinc/03/84/23/566038423.db2.gz URYXAOCOPPEEBV-KURKYZTESA-N 2 2 382.346 2.505 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679341643 566038427 /nfs/dbraw/zinc/03/84/27/566038427.db2.gz URYXAOCOPPEEBV-KURKYZTESA-N 2 2 382.346 2.505 20 0 GFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113018 566094066 /nfs/dbraw/zinc/09/40/66/566094066.db2.gz UXDSFQBVOBMMOY-LLVKDONJSA-N 2 2 377.124 2.978 20 0 GFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113018 566094071 /nfs/dbraw/zinc/09/40/71/566094071.db2.gz UXDSFQBVOBMMOY-LLVKDONJSA-N 2 2 377.124 2.978 20 0 GFADLP Cc1cccc2c(NC[C@@H](c3ccco3)[NH+]3CCCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737409412 599121434 /nfs/dbraw/zinc/12/14/34/599121434.db2.gz OAUBTGLEVHMQBU-KRWDZBQOSA-N 2 2 389.463 2.987 20 0 GFADLP COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000737002012 598249798 /nfs/dbraw/zinc/24/97/98/598249798.db2.gz JPIHDYLNKQDXNQ-UHFFFAOYSA-N 2 2 389.463 2.701 20 0 GFADLP COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000737002012 598249799 /nfs/dbraw/zinc/24/97/99/598249799.db2.gz JPIHDYLNKQDXNQ-UHFFFAOYSA-N 2 2 389.463 2.701 20 0 GFADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1C ZINC000821378626 599534083 /nfs/dbraw/zinc/53/40/83/599534083.db2.gz QLQLEFALGBQKJW-INIZCTEOSA-N 2 2 395.511 2.579 20 0 GFADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1C ZINC000821378626 599534084 /nfs/dbraw/zinc/53/40/84/599534084.db2.gz QLQLEFALGBQKJW-INIZCTEOSA-N 2 2 395.511 2.579 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194590 607501699 /nfs/dbraw/zinc/50/16/99/607501699.db2.gz QHDSPVSJEKAYIS-AEFFLSMTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194590 607501701 /nfs/dbraw/zinc/50/17/01/607501701.db2.gz QHDSPVSJEKAYIS-AEFFLSMTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194590 607501703 /nfs/dbraw/zinc/50/17/03/607501703.db2.gz QHDSPVSJEKAYIS-AEFFLSMTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194590 607501704 /nfs/dbraw/zinc/50/17/04/607501704.db2.gz QHDSPVSJEKAYIS-AEFFLSMTSA-N 2 2 384.528 2.962 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453757 608314291 /nfs/dbraw/zinc/31/42/91/608314291.db2.gz XAGGURYLUGPMPF-CRAIPNDOSA-N 2 2 394.527 2.665 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453757 608314293 /nfs/dbraw/zinc/31/42/93/608314293.db2.gz XAGGURYLUGPMPF-CRAIPNDOSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453757 608314295 /nfs/dbraw/zinc/31/42/95/608314295.db2.gz XAGGURYLUGPMPF-CRAIPNDOSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453757 608314297 /nfs/dbraw/zinc/31/42/97/608314297.db2.gz XAGGURYLUGPMPF-CRAIPNDOSA-N 2 2 394.527 2.665 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453759 608314412 /nfs/dbraw/zinc/31/44/12/608314412.db2.gz XAGGURYLUGPMPF-QAPCUYQASA-N 2 2 394.527 2.665 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453759 608314414 /nfs/dbraw/zinc/31/44/14/608314414.db2.gz XAGGURYLUGPMPF-QAPCUYQASA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453759 608314416 /nfs/dbraw/zinc/31/44/16/608314416.db2.gz XAGGURYLUGPMPF-QAPCUYQASA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000825453759 608314418 /nfs/dbraw/zinc/31/44/18/608314418.db2.gz XAGGURYLUGPMPF-QAPCUYQASA-N 2 2 394.527 2.665 20 0 GFADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935733 608638960 /nfs/dbraw/zinc/63/89/60/608638960.db2.gz CRWHGPXEODARBB-DLBZAZTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935733 608638964 /nfs/dbraw/zinc/63/89/64/608638964.db2.gz CRWHGPXEODARBB-DLBZAZTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935733 608638967 /nfs/dbraw/zinc/63/89/67/608638967.db2.gz CRWHGPXEODARBB-DLBZAZTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935733 608638970 /nfs/dbraw/zinc/63/89/70/608638970.db2.gz CRWHGPXEODARBB-DLBZAZTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824598977 609441285 /nfs/dbraw/zinc/44/12/85/609441285.db2.gz KRZVQNQJNGZQSV-HNNXBMFYSA-N 2 2 375.436 2.782 20 0 GFADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(F)c(Br)c1 ZINC000818951332 660237191 /nfs/dbraw/zinc/23/71/91/660237191.db2.gz BWRFJTDAOOOFIE-INIZCTEOSA-N 2 2 382.277 2.987 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383333 654993006 /nfs/dbraw/zinc/99/30/06/654993006.db2.gz QRBNZDKQZZRHHV-LRDDRELGSA-N 2 2 398.320 2.753 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383333 654993010 /nfs/dbraw/zinc/99/30/10/654993010.db2.gz QRBNZDKQZZRHHV-LRDDRELGSA-N 2 2 398.320 2.753 20 0 GFADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc1F ZINC000135299182 655013397 /nfs/dbraw/zinc/01/33/97/655013397.db2.gz RHQJPYQKSJWYDQ-KRWDZBQOSA-N 2 2 394.288 2.966 20 0 GFADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1 ZINC000159840878 655117312 /nfs/dbraw/zinc/11/73/12/655117312.db2.gz SBUNUTPJXKJXDI-UHFFFAOYSA-N 2 2 387.619 2.768 20 0 GFADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1 ZINC000159840878 655117313 /nfs/dbraw/zinc/11/73/13/655117313.db2.gz SBUNUTPJXKJXDI-UHFFFAOYSA-N 2 2 387.619 2.768 20 0 GFADLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185344172 655363878 /nfs/dbraw/zinc/36/38/78/655363878.db2.gz ZGHZPKQZTMWMFH-QWHCGFSZSA-N 2 2 388.325 2.828 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103324 661232813 /nfs/dbraw/zinc/23/28/13/661232813.db2.gz GPPIBFMMOHBQLE-AAEUAGOBSA-N 2 2 380.842 2.811 20 0 GFADLP Cc1cc(Br)cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000809733045 659937306 /nfs/dbraw/zinc/93/73/06/659937306.db2.gz PFOLMAMPKLNZKS-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000852122086 661853700 /nfs/dbraw/zinc/85/37/00/661853700.db2.gz GAGCBBDBJCSSHN-KRWDZBQOSA-N 2 2 385.346 2.555 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544621 662336340 /nfs/dbraw/zinc/33/63/40/662336340.db2.gz ZHEIUAHRBAMDEM-SJLPKXTDSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544621 662336342 /nfs/dbraw/zinc/33/63/42/662336342.db2.gz ZHEIUAHRBAMDEM-SJLPKXTDSA-N 2 2 378.314 2.778 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483464 662424401 /nfs/dbraw/zinc/42/44/01/662424401.db2.gz RZIMMKCRHBBODD-IUODEOHRSA-N 2 2 385.496 2.859 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccnc3Br)CC2)CC1 ZINC000877595443 662879629 /nfs/dbraw/zinc/87/96/29/662879629.db2.gz APMMHNPFOGQDKS-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccnc3Br)CC2)CC1 ZINC000877595443 662879630 /nfs/dbraw/zinc/87/96/30/662879630.db2.gz APMMHNPFOGQDKS-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP Cc1cc(N2CCC([NH2+]Cc3ncc(Br)cc3O)CC2)nc(C)[nH+]1 ZINC000893358553 663408380 /nfs/dbraw/zinc/40/83/80/663408380.db2.gz XJAXMLROKBBRDP-UHFFFAOYSA-N 2 2 392.301 2.715 20 0 GFADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816592 663807602 /nfs/dbraw/zinc/80/76/02/663807602.db2.gz ZNNYRQRUHLUWDE-CQSZACIVSA-N 2 2 381.318 2.766 20 0 GFADLP [NH3+]CC1([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cn2)CCC1 ZINC000903816592 663807603 /nfs/dbraw/zinc/80/76/03/663807603.db2.gz ZNNYRQRUHLUWDE-CQSZACIVSA-N 2 2 381.318 2.766 20 0 GFADLP C[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923286070 664627461 /nfs/dbraw/zinc/62/74/61/664627461.db2.gz GVNHTEUUXUFUKT-ZDUSSCGKSA-N 2 2 377.710 2.526 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743984 664876564 /nfs/dbraw/zinc/87/65/64/664876564.db2.gz RXTUQCYMFHMRES-SIXWZSSISA-N 2 2 394.357 2.680 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743984 664876567 /nfs/dbraw/zinc/87/65/67/664876567.db2.gz RXTUQCYMFHMRES-SIXWZSSISA-N 2 2 394.357 2.680 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743984 664876569 /nfs/dbraw/zinc/87/65/69/664876569.db2.gz RXTUQCYMFHMRES-SIXWZSSISA-N 2 2 394.357 2.680 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743984 664876571 /nfs/dbraw/zinc/87/65/71/664876571.db2.gz RXTUQCYMFHMRES-SIXWZSSISA-N 2 2 394.357 2.680 20 0 GFADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164841168 720504471 /nfs/dbraw/zinc/50/44/71/720504471.db2.gz XSPULMHVWUQOIJ-UFYCRDLUSA-N 2 2 395.555 2.651 20 0 GFADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164841168 720504475 /nfs/dbraw/zinc/50/44/75/720504475.db2.gz XSPULMHVWUQOIJ-UFYCRDLUSA-N 2 2 395.555 2.651 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744233 720812563 /nfs/dbraw/zinc/81/25/63/720812563.db2.gz IELXGJYVZFLTDW-SVFBPWRDSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744233 720812565 /nfs/dbraw/zinc/81/25/65/720812565.db2.gz IELXGJYVZFLTDW-SVFBPWRDSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744010 720851470 /nfs/dbraw/zinc/85/14/70/720851470.db2.gz BFOOYJRGMPKVDN-HSALFYBXSA-N 2 2 393.539 2.633 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744010 720851471 /nfs/dbraw/zinc/85/14/71/720851471.db2.gz BFOOYJRGMPKVDN-HSALFYBXSA-N 2 2 393.539 2.633 20 0 GFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748930 720857681 /nfs/dbraw/zinc/85/76/81/720857681.db2.gz MYHHWRDGDICOJP-IRFCIJBXSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748930 720857682 /nfs/dbraw/zinc/85/76/82/720857682.db2.gz MYHHWRDGDICOJP-IRFCIJBXSA-N 2 2 378.524 2.930 20 0 GFADLP C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164876226 721242040 /nfs/dbraw/zinc/24/20/40/721242040.db2.gz YSCLSNJZRPHXRU-QGZVFWFLSA-N 2 2 396.539 2.538 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900541 721507544 /nfs/dbraw/zinc/50/75/44/721507544.db2.gz SAZUTEGSWFJLCG-MJGOQNOKSA-N 2 2 385.487 2.722 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900541 721507553 /nfs/dbraw/zinc/50/75/53/721507553.db2.gz SAZUTEGSWFJLCG-MJGOQNOKSA-N 2 2 385.487 2.722 20 0 GFADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C[N@H+](C)C3CC3)cn2)CC1 ZINC001164918786 721819868 /nfs/dbraw/zinc/81/98/68/721819868.db2.gz HTCBGICENAOJHS-UHFFFAOYSA-N 2 2 380.540 2.622 20 0 GFADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001164918786 721819870 /nfs/dbraw/zinc/81/98/70/721819870.db2.gz HTCBGICENAOJHS-UHFFFAOYSA-N 2 2 380.540 2.622 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1COc2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000328642110 206237971 /nfs/dbraw/zinc/23/79/71/206237971.db2.gz QVTRJOJZGQITIH-HKUYNNGSSA-N 2 2 380.492 2.550 20 0 GFADLP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000109476189 535203921 /nfs/dbraw/zinc/20/39/21/535203921.db2.gz ZXSSXYQLKLNDQV-UHFFFAOYSA-N 2 2 393.535 2.574 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3Br)CC2)CC1 ZINC000050801375 551161394 /nfs/dbraw/zinc/16/13/94/551161394.db2.gz KSAMARAAVCWPOT-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP Brc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415035406 563757020 /nfs/dbraw/zinc/75/70/20/563757020.db2.gz IVJSBWCMHMDONM-LLVKDONJSA-N 2 2 378.108 2.680 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123300782 551304966 /nfs/dbraw/zinc/30/49/66/551304966.db2.gz VFAKPWXXJNMKOH-ZBFHGGJFSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123300782 551304968 /nfs/dbraw/zinc/30/49/68/551304968.db2.gz VFAKPWXXJNMKOH-ZBFHGGJFSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300782 551304970 /nfs/dbraw/zinc/30/49/70/551304970.db2.gz VFAKPWXXJNMKOH-ZBFHGGJFSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123300782 551304973 /nfs/dbraw/zinc/30/49/73/551304973.db2.gz VFAKPWXXJNMKOH-ZBFHGGJFSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000153116106 551446789 /nfs/dbraw/zinc/44/67/89/551446789.db2.gz RLTXJTZNJHFEAD-CABCVRRESA-N 2 2 398.345 2.724 20 0 GFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](O)COc3ccccc3Br)n2c1 ZINC000157644231 551540621 /nfs/dbraw/zinc/54/06/21/551540621.db2.gz RQHIVYXEDIFBIK-OAHLLOKOSA-N 2 2 390.281 2.935 20 0 GFADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277358 551618371 /nfs/dbraw/zinc/61/83/71/551618371.db2.gz IWFVFZAZTTZKOE-PBHICJAKSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277358 551618373 /nfs/dbraw/zinc/61/83/73/551618373.db2.gz IWFVFZAZTTZKOE-PBHICJAKSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163425972 551619429 /nfs/dbraw/zinc/61/94/29/551619429.db2.gz OAJBGIKLOMYRBX-YOEHRIQHSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163425972 551619431 /nfs/dbraw/zinc/61/94/31/551619431.db2.gz OAJBGIKLOMYRBX-YOEHRIQHSA-N 2 2 398.345 2.867 20 0 GFADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000164781578 551627297 /nfs/dbraw/zinc/62/72/97/551627297.db2.gz CVFLCFCLKNARNQ-KRWDZBQOSA-N 2 2 380.330 2.937 20 0 GFADLP O=S(=O)(CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(Br)c1 ZINC000175663950 552126267 /nfs/dbraw/zinc/12/62/67/552126267.db2.gz SJYVMBMGHOVLSH-UHFFFAOYSA-N 2 2 398.326 2.756 20 0 GFADLP Cc1cc(Br)ccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175753263 552128063 /nfs/dbraw/zinc/12/80/63/552128063.db2.gz RTJXKZRNPYAKMW-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000182274774 552280018 /nfs/dbraw/zinc/28/00/18/552280018.db2.gz PIVNBCZXZBYOKF-OAHLLOKOSA-N 2 2 399.329 2.883 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000182274774 552280020 /nfs/dbraw/zinc/28/00/20/552280020.db2.gz PIVNBCZXZBYOKF-OAHLLOKOSA-N 2 2 399.329 2.883 20 0 GFADLP C[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000185760327 552370258 /nfs/dbraw/zinc/37/02/58/552370258.db2.gz GPSVDLMBGBQFAK-UHFFFAOYSA-N 2 2 377.124 2.978 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950196 563351801 /nfs/dbraw/zinc/35/18/01/563351801.db2.gz XIBJVMZGILGLMV-GXFFZTMASA-N 2 2 379.245 2.907 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447971 563361140 /nfs/dbraw/zinc/36/11/40/563361140.db2.gz PKLCGFUJIICESP-TYNCELHUSA-N 2 2 398.292 2.922 20 0 GFADLP [NH3+]C1(CNS(=O)(=O)c2sccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000420473910 563265136 /nfs/dbraw/zinc/26/51/36/563265136.db2.gz XBJRZCIGRKMPIV-UHFFFAOYSA-N 2 2 399.969 2.673 20 0 GFADLP C[N@H+](CCn1cc(Br)cn1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961756 563292289 /nfs/dbraw/zinc/29/22/89/563292289.db2.gz JKNUJPHTCJXJHA-UHFFFAOYSA-N 2 2 393.329 2.610 20 0 GFADLP C[N@@H+](CCn1cc(Br)cn1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961756 563292292 /nfs/dbraw/zinc/29/22/92/563292292.db2.gz JKNUJPHTCJXJHA-UHFFFAOYSA-N 2 2 393.329 2.610 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000420986030 563293299 /nfs/dbraw/zinc/29/32/99/563293299.db2.gz XHLSBANFUPSRFL-UHFFFAOYSA-N 2 2 387.391 2.898 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncc(Br)s3)CC2)CC1 ZINC000420986030 563293302 /nfs/dbraw/zinc/29/33/02/563293302.db2.gz XHLSBANFUPSRFL-UHFFFAOYSA-N 2 2 387.391 2.898 20 0 GFADLP CC(=O)N1CCC[C@H](C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000279826547 563311839 /nfs/dbraw/zinc/31/18/39/563311839.db2.gz PWLULOASIDNEKM-CQSZACIVSA-N 2 2 379.302 2.753 20 0 GFADLP COc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422948576 563351339 /nfs/dbraw/zinc/35/13/39/563351339.db2.gz SNKITSVVSGFMEA-FVQBIDKESA-N 2 2 399.329 2.713 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093148 563354533 /nfs/dbraw/zinc/35/45/33/563354533.db2.gz GBRCAAQYMUMSAD-MFKMUULPSA-N 2 2 394.684 2.801 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)c[nH+]c12 ZINC000374626612 563377784 /nfs/dbraw/zinc/37/77/84/563377784.db2.gz AUKVGWYAJVTGPT-YOEHRIQHSA-N 2 2 380.286 2.833 20 0 GFADLP C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302823061 563430608 /nfs/dbraw/zinc/43/06/08/563430608.db2.gz FIULAHSJQZCUMD-HNNXBMFYSA-N 2 2 375.567 2.975 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376326291 563437837 /nfs/dbraw/zinc/43/78/37/563437837.db2.gz YKQNDOWIJMIMDK-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376326291 563437841 /nfs/dbraw/zinc/43/78/41/563437841.db2.gz YKQNDOWIJMIMDK-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP C[NH+]1CCC2(CCC[N@@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382945 563440742 /nfs/dbraw/zinc/44/07/42/563440742.db2.gz FVTLMDSWDHUCJK-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+]1CCC2(CCC[N@H+]([C@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382945 563440744 /nfs/dbraw/zinc/44/07/44/563440744.db2.gz FVTLMDSWDHUCJK-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330588 563502517 /nfs/dbraw/zinc/50/25/17/563502517.db2.gz BLXIROYLWXMQDK-HZPDHXFCSA-N 2 2 393.329 2.518 20 0 GFADLP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330588 563502518 /nfs/dbraw/zinc/50/25/18/563502518.db2.gz BLXIROYLWXMQDK-HZPDHXFCSA-N 2 2 393.329 2.518 20 0 GFADLP O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431159482 563554856 /nfs/dbraw/zinc/55/48/56/563554856.db2.gz OWVKFOQQHYIEBA-YJBOKZPZSA-N 2 2 393.281 2.737 20 0 GFADLP O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431159482 563554859 /nfs/dbraw/zinc/55/48/59/563554859.db2.gz OWVKFOQQHYIEBA-YJBOKZPZSA-N 2 2 393.281 2.737 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333363352 563629370 /nfs/dbraw/zinc/62/93/70/563629370.db2.gz TYRMJNFFODAUHS-INIZCTEOSA-N 2 2 382.306 2.518 20 0 GFADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289400667 563673577 /nfs/dbraw/zinc/67/35/77/563673577.db2.gz AHTYFJZMNJUTFE-IRXDYDNUSA-N 2 2 393.329 2.564 20 0 GFADLP Clc1cnn([C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069346 563696861 /nfs/dbraw/zinc/69/68/61/563696861.db2.gz YEYFAPRVEJKBNE-CALCHBBNSA-N 2 2 383.327 2.970 20 0 GFADLP Clc1cnn([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069346 563696864 /nfs/dbraw/zinc/69/68/64/563696864.db2.gz YEYFAPRVEJKBNE-CALCHBBNSA-N 2 2 383.327 2.970 20 0 GFADLP Clc1cnn([C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069346 563696867 /nfs/dbraw/zinc/69/68/67/563696867.db2.gz YEYFAPRVEJKBNE-CALCHBBNSA-N 2 2 383.327 2.970 20 0 GFADLP Clc1cnn([C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069346 563696870 /nfs/dbraw/zinc/69/68/70/563696870.db2.gz YEYFAPRVEJKBNE-CALCHBBNSA-N 2 2 383.327 2.970 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c[nH+]c12 ZINC000438330520 563703548 /nfs/dbraw/zinc/70/35/48/563703548.db2.gz ZCFXHNZQRIKXGC-AWEZNQCLSA-N 2 2 395.345 2.682 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c[nH+]c12 ZINC000438330520 563703550 /nfs/dbraw/zinc/70/35/50/563703550.db2.gz ZCFXHNZQRIKXGC-AWEZNQCLSA-N 2 2 395.345 2.682 20 0 GFADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2c(cc1Br)OCCO2 ZINC000414293074 563725174 /nfs/dbraw/zinc/72/51/74/563725174.db2.gz MBTGKNJYCDYEFA-LLVKDONJSA-N 2 2 395.301 2.871 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414870630 563753659 /nfs/dbraw/zinc/75/36/59/563753659.db2.gz CBOMYVZQMZAHAZ-UHFFFAOYSA-N 2 2 385.302 2.670 20 0 GFADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc(I)c1OC ZINC000415046781 563757136 /nfs/dbraw/zinc/75/71/36/563757136.db2.gz VNMXHAROVDYTGY-ZDUSSCGKSA-N 2 2 390.265 2.539 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OC ZINC000415050446 563757847 /nfs/dbraw/zinc/75/78/47/563757847.db2.gz YTQQIGKAYXHSSC-CQSZACIVSA-N 2 2 387.318 2.715 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118718 563759599 /nfs/dbraw/zinc/75/95/99/563759599.db2.gz DWSJVTKJUIMRPO-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118718 563759601 /nfs/dbraw/zinc/75/96/01/563759601.db2.gz DWSJVTKJUIMRPO-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141503 563760936 /nfs/dbraw/zinc/76/09/36/563760936.db2.gz PNFISXRQSLCUNJ-OLZOCXBDSA-N 2 2 389.352 2.775 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141503 563760937 /nfs/dbraw/zinc/76/09/37/563760937.db2.gz PNFISXRQSLCUNJ-OLZOCXBDSA-N 2 2 389.352 2.775 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cscc1Br ZINC000294602466 563848052 /nfs/dbraw/zinc/84/80/52/563848052.db2.gz DHWFCLWKORJBJO-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cscc1Br ZINC000294602466 563848055 /nfs/dbraw/zinc/84/80/55/563848055.db2.gz DHWFCLWKORJBJO-UHFFFAOYSA-N 2 2 388.375 2.538 20 0 GFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000368017595 563862028 /nfs/dbraw/zinc/86/20/28/563862028.db2.gz FPTMVLMUJHGFPA-SJLPKXTDSA-N 2 2 396.373 2.815 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1Br ZINC000447942660 563891832 /nfs/dbraw/zinc/89/18/32/563891832.db2.gz IMVPBSDHWXESHG-UHFFFAOYSA-N 2 2 393.329 2.613 20 0 GFADLP [NH3+]CC(F)(F)CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000417991380 563893407 /nfs/dbraw/zinc/89/34/07/563893407.db2.gz LKPSUIGEDALIOY-UHFFFAOYSA-N 2 2 395.281 2.851 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388738 564184439 /nfs/dbraw/zinc/18/44/39/564184439.db2.gz BBEYVNMODNPSHW-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449388738 564184445 /nfs/dbraw/zinc/18/44/45/564184445.db2.gz BBEYVNMODNPSHW-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP O=C(NCC[NH+]1CCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000506115251 564196273 /nfs/dbraw/zinc/19/62/73/564196273.db2.gz WKLJMFUSYLLCQN-UHFFFAOYSA-N 2 2 385.339 2.963 20 0 GFADLP CN(C)c1nc(N2CC[NH+](Cc3cc(Br)cs3)CC2)cc[nH+]1 ZINC000538719823 564198223 /nfs/dbraw/zinc/19/82/23/564198223.db2.gz LEQLNBIMMIQRCR-UHFFFAOYSA-N 2 2 382.331 2.689 20 0 GFADLP C[C@@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763136 564200084 /nfs/dbraw/zinc/20/00/84/564200084.db2.gz IJSKTRLGHLXEKR-MAUKXSAKSA-N 2 2 394.357 2.791 20 0 GFADLP C[C@@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763136 564200087 /nfs/dbraw/zinc/20/00/87/564200087.db2.gz IJSKTRLGHLXEKR-MAUKXSAKSA-N 2 2 394.357 2.791 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000564320772 564228641 /nfs/dbraw/zinc/22/86/41/564228641.db2.gz OSSLYSTVWYMDRY-YESZJQIVSA-N 2 2 393.329 2.652 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656934 564342399 /nfs/dbraw/zinc/34/23/99/564342399.db2.gz NQIIJHBIAWKJFF-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656934 564342403 /nfs/dbraw/zinc/34/24/03/564342403.db2.gz NQIIJHBIAWKJFF-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP O=C(C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)NC1CCCC1 ZINC000510933109 564350930 /nfs/dbraw/zinc/35/09/30/564350930.db2.gz HHCOMRWERHUSBG-UHFFFAOYSA-N 2 2 395.301 2.800 20 0 GFADLP O=C(C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)NC1CCCC1 ZINC000510933109 564350934 /nfs/dbraw/zinc/35/09/34/564350934.db2.gz HHCOMRWERHUSBG-UHFFFAOYSA-N 2 2 395.301 2.800 20 0 GFADLP O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451958885 564372554 /nfs/dbraw/zinc/37/25/54/564372554.db2.gz AHBKEQJIKZBFQP-IBGZPJMESA-N 2 2 379.595 2.611 20 0 GFADLP O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451958885 564372557 /nfs/dbraw/zinc/37/25/57/564372557.db2.gz AHBKEQJIKZBFQP-IBGZPJMESA-N 2 2 379.595 2.611 20 0 GFADLP CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)cc1 ZINC000511943621 564385894 /nfs/dbraw/zinc/38/58/94/564385894.db2.gz UJLVFCDQDDOTAE-CRAIPNDOSA-N 2 2 378.929 2.920 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544776197 564398052 /nfs/dbraw/zinc/39/80/52/564398052.db2.gz OVSMTZJIKMITRF-HNNXBMFYSA-N 2 2 394.317 2.689 20 0 GFADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544776197 564398058 /nfs/dbraw/zinc/39/80/58/564398058.db2.gz OVSMTZJIKMITRF-HNNXBMFYSA-N 2 2 394.317 2.689 20 0 GFADLP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000569218593 564453879 /nfs/dbraw/zinc/45/38/79/564453879.db2.gz ABRYDKXUKSYHQD-XOKHGSTOSA-N 2 2 380.330 2.782 20 0 GFADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cncc(Br)c2)c2ccccc2)CC1 ZINC000546653499 564464173 /nfs/dbraw/zinc/46/41/73/564464173.db2.gz BQYDWJDHPLEOMC-IBGZPJMESA-N 2 2 389.341 2.922 20 0 GFADLP OCC1([NH2+]CC2CC2)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000571329888 564546854 /nfs/dbraw/zinc/54/68/54/564546854.db2.gz CEPNMKQYYJHQJZ-UHFFFAOYSA-N 2 2 383.330 2.654 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000483376142 564565402 /nfs/dbraw/zinc/56/54/02/564565402.db2.gz AZSSWQHARDMWFO-HNNXBMFYSA-N 2 2 382.346 2.996 20 0 GFADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455858719 564575750 /nfs/dbraw/zinc/57/57/50/564575750.db2.gz CFEMAFULPPVCIA-LBPRGKRZSA-N 2 2 384.322 2.858 20 0 GFADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573438007 564637289 /nfs/dbraw/zinc/63/72/89/564637289.db2.gz VAWKUOWSXWRXOT-OAHLLOKOSA-N 2 2 394.292 2.950 20 0 GFADLP COc1cc(Br)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000573488099 564640422 /nfs/dbraw/zinc/64/04/22/564640422.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1cc(Br)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000573488099 564640427 /nfs/dbraw/zinc/64/04/27/564640427.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1cc(Br)ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000573488099 564640431 /nfs/dbraw/zinc/64/04/31/564640431.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1cc(Br)ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573488099 564640435 /nfs/dbraw/zinc/64/04/35/564640435.db2.gz OMDOKNZSMUTQAP-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP C[C@](O)(C[NH2+]CCC[NH+]1CCN(c2ccccc2Cl)CC1)C(F)(F)F ZINC000573597239 564645133 /nfs/dbraw/zinc/64/51/33/564645133.db2.gz ZFZGSXNQWVANRJ-INIZCTEOSA-N 2 2 379.854 2.755 20 0 GFADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000576827745 564720982 /nfs/dbraw/zinc/72/09/82/564720982.db2.gz ZXLZLTWDPVHZHV-CYBMUJFWSA-N 2 2 395.276 2.596 20 0 GFADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000576827745 564720988 /nfs/dbraw/zinc/72/09/88/564720988.db2.gz ZXLZLTWDPVHZHV-CYBMUJFWSA-N 2 2 395.276 2.596 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580644782 564767882 /nfs/dbraw/zinc/76/78/82/564767882.db2.gz SUJNWISBHYLJDH-NXHRZFHOSA-N 2 2 392.341 2.796 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H](CCO)C3CCOCC3)c[nH+]c12 ZINC000461399557 564796052 /nfs/dbraw/zinc/79/60/52/564796052.db2.gz KPZLKMNMASUSKH-MRXNPFEDSA-N 2 2 382.302 2.672 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+]C[C@@H]3C(C)C)[nH+]c12 ZINC000529326038 564829453 /nfs/dbraw/zinc/82/94/53/564829453.db2.gz UAMAUVHVCYDAOL-OAHLLOKOSA-N 2 2 394.317 2.545 20 0 GFADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000583392571 564889343 /nfs/dbraw/zinc/88/93/43/564889343.db2.gz KFNMGFVCGXHGTR-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441302 564892291 /nfs/dbraw/zinc/89/22/91/564892291.db2.gz VRTFLWWISANQDP-VNQPRFMTSA-N 2 2 391.313 2.982 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441302 564892292 /nfs/dbraw/zinc/89/22/92/564892292.db2.gz VRTFLWWISANQDP-VNQPRFMTSA-N 2 2 391.313 2.982 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1Br ZINC000468200533 564979923 /nfs/dbraw/zinc/97/99/23/564979923.db2.gz HTPZDLLSPTZQIP-CQSZACIVSA-N 2 2 386.359 2.887 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1Br ZINC000468200533 564979925 /nfs/dbraw/zinc/97/99/25/564979925.db2.gz HTPZDLLSPTZQIP-CQSZACIVSA-N 2 2 386.359 2.887 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1Br ZINC000468200480 564979942 /nfs/dbraw/zinc/97/99/42/564979942.db2.gz HTPZDLLSPTZQIP-AWEZNQCLSA-N 2 2 386.359 2.887 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1Br ZINC000468200480 564979943 /nfs/dbraw/zinc/97/99/43/564979943.db2.gz HTPZDLLSPTZQIP-AWEZNQCLSA-N 2 2 386.359 2.887 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985946 565050741 /nfs/dbraw/zinc/05/07/41/565050741.db2.gz KPYKXONFDUFFMC-IJEWVQPXSA-N 2 2 391.339 2.822 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985946 565050744 /nfs/dbraw/zinc/05/07/44/565050744.db2.gz KPYKXONFDUFFMC-IJEWVQPXSA-N 2 2 391.339 2.822 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)C1 ZINC000657595761 565111436 /nfs/dbraw/zinc/11/14/36/565111436.db2.gz JWQZCUKVFSHBJF-AWEZNQCLSA-N 2 2 382.327 2.762 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)C1 ZINC000657595761 565111441 /nfs/dbraw/zinc/11/14/41/565111441.db2.gz JWQZCUKVFSHBJF-AWEZNQCLSA-N 2 2 382.327 2.762 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838926 565126324 /nfs/dbraw/zinc/12/63/24/565126324.db2.gz QPHFISFZGRYSDW-IKGGRYGDSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838926 565126330 /nfs/dbraw/zinc/12/63/30/565126330.db2.gz QPHFISFZGRYSDW-IKGGRYGDSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccs1 ZINC000590150351 565178774 /nfs/dbraw/zinc/17/87/74/565178774.db2.gz WUCCFOIPONMQHI-NSHDSACASA-N 2 2 375.420 2.609 20 0 GFADLP Cn1cc[nH+]c1[C@H](Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000639243163 565234527 /nfs/dbraw/zinc/23/45/27/565234527.db2.gz YGRXIURHMZTGQM-MRXNPFEDSA-N 2 2 392.301 2.977 20 0 GFADLP COCC[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660411803 565274113 /nfs/dbraw/zinc/27/41/13/565274113.db2.gz XYYWRUVZMZXGLK-AWEZNQCLSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[N@H+](Cc1cc(Br)cs1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660411803 565274117 /nfs/dbraw/zinc/27/41/17/565274117.db2.gz XYYWRUVZMZXGLK-AWEZNQCLSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[NH+](Cc1cc(Br)cs1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660411803 565274120 /nfs/dbraw/zinc/27/41/20/565274120.db2.gz XYYWRUVZMZXGLK-AWEZNQCLSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[NH+](Cc1cc(Br)cs1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660411803 565274124 /nfs/dbraw/zinc/27/41/24/565274124.db2.gz XYYWRUVZMZXGLK-AWEZNQCLSA-N 2 2 379.364 2.660 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662264948 565357327 /nfs/dbraw/zinc/35/73/27/565357327.db2.gz FNBFXPZQUJTHDR-CYBMUJFWSA-N 2 2 392.297 2.592 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662264948 565357330 /nfs/dbraw/zinc/35/73/30/565357330.db2.gz FNBFXPZQUJTHDR-CYBMUJFWSA-N 2 2 392.297 2.592 20 0 GFADLP [NH3+][C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000662387966 565364890 /nfs/dbraw/zinc/36/48/90/565364890.db2.gz NMSOUSLGXIDOBX-QGZVFWFLSA-N 2 2 389.297 2.629 20 0 GFADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644569470 565482963 /nfs/dbraw/zinc/48/29/63/565482963.db2.gz RHODJGNRHCDBOB-HZPDHXFCSA-N 2 2 389.309 2.792 20 0 GFADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631160 565486831 /nfs/dbraw/zinc/48/68/31/565486831.db2.gz HPBZBKQAEIKUCL-ZBFHGGJFSA-N 2 2 386.323 2.534 20 0 GFADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631160 565486834 /nfs/dbraw/zinc/48/68/34/565486834.db2.gz HPBZBKQAEIKUCL-ZBFHGGJFSA-N 2 2 386.323 2.534 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652356 565530810 /nfs/dbraw/zinc/53/08/10/565530810.db2.gz SMVJUOUYTHJTHP-ZWNOBZJWSA-N 2 2 394.684 2.801 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104833 565585972 /nfs/dbraw/zinc/58/59/72/565585972.db2.gz PKGVODJQBNBHQT-CQSZACIVSA-N 2 2 396.329 2.573 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104833 565585977 /nfs/dbraw/zinc/58/59/77/565585977.db2.gz PKGVODJQBNBHQT-CQSZACIVSA-N 2 2 396.329 2.573 20 0 GFADLP FC(F)Oc1ccc(Br)c(C[NH2+]CCC[NH+]2CCOCC2)c1 ZINC000647166330 565643361 /nfs/dbraw/zinc/64/33/61/565643361.db2.gz JFTHNCVXAZFEKX-UHFFFAOYSA-N 2 2 379.245 2.862 20 0 GFADLP O[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000647174490 565644593 /nfs/dbraw/zinc/64/45/93/565644593.db2.gz CSUOEUFWJOWXRJ-GFCCVEGCSA-N 2 2 379.245 2.597 20 0 GFADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971447 565686250 /nfs/dbraw/zinc/68/62/50/565686250.db2.gz IMUSCLHOCIGBDV-INIZCTEOSA-N 2 2 385.346 2.993 20 0 GFADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971447 565686255 /nfs/dbraw/zinc/68/62/55/565686255.db2.gz IMUSCLHOCIGBDV-INIZCTEOSA-N 2 2 385.346 2.993 20 0 GFADLP COC(=O)[C@]1([NH2+]CCCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599594596 565691770 /nfs/dbraw/zinc/69/17/70/565691770.db2.gz OIOULHSLZXLXHW-SFHVURJKSA-N 2 2 392.297 2.726 20 0 GFADLP C[N@H+](CCOCC[NH3+])Cc1cccc(OCC(F)(F)F)c1Br ZINC000629580448 565860703 /nfs/dbraw/zinc/86/07/03/565860703.db2.gz CECNLWLSQJAINX-UHFFFAOYSA-N 2 2 385.224 2.797 20 0 GFADLP C[N@@H+](CCOCC[NH3+])Cc1cccc(OCC(F)(F)F)c1Br ZINC000629580448 565860705 /nfs/dbraw/zinc/86/07/05/565860705.db2.gz CECNLWLSQJAINX-UHFFFAOYSA-N 2 2 385.224 2.797 20 0 GFADLP O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338934 566037699 /nfs/dbraw/zinc/03/76/99/566037699.db2.gz KJGLPMKTLMCOPY-SQNIBIBYSA-N 2 2 383.330 2.716 20 0 GFADLP CCC(=O)N1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000680469408 566071865 /nfs/dbraw/zinc/07/18/65/566071865.db2.gz DVQNHHANKGUHMJ-UHFFFAOYSA-N 2 2 393.329 2.938 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917950 566095858 /nfs/dbraw/zinc/09/58/58/566095858.db2.gz BURRDNAPMSSIRZ-SMDDNHRTSA-N 2 2 378.826 2.618 20 0 GFADLP CCC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1CCOC ZINC000825259580 608303815 /nfs/dbraw/zinc/30/38/15/608303815.db2.gz JKYYMLMBIAAVCP-INIZCTEOSA-N 2 2 395.511 2.660 20 0 GFADLP CCC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1CCOC ZINC000825259580 608303817 /nfs/dbraw/zinc/30/38/17/608303817.db2.gz JKYYMLMBIAAVCP-INIZCTEOSA-N 2 2 395.511 2.660 20 0 GFADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656831 609245472 /nfs/dbraw/zinc/24/54/72/609245472.db2.gz NIKBHQFRPUXRLR-OAHLLOKOSA-N 2 2 392.511 2.965 20 0 GFADLP Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000823820927 609362949 /nfs/dbraw/zinc/36/29/49/609362949.db2.gz MKUJYQJMKWGMKF-CYBMUJFWSA-N 2 2 388.273 2.732 20 0 GFADLP Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000823820927 609362952 /nfs/dbraw/zinc/36/29/52/609362952.db2.gz MKUJYQJMKWGMKF-CYBMUJFWSA-N 2 2 388.273 2.732 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cncc(F)c1 ZINC000824548125 609406728 /nfs/dbraw/zinc/40/67/28/609406728.db2.gz VPUCTYIDXAVWIB-CQSZACIVSA-N 2 2 381.459 2.716 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc(Br)o3)CC2)CC1 ZINC000050802575 654721432 /nfs/dbraw/zinc/72/14/32/654721432.db2.gz KGQSSBHYJQHKOQ-HWKANZROSA-N 2 2 396.329 2.730 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021180 654839782 /nfs/dbraw/zinc/83/97/82/654839782.db2.gz JNOWXLLDUFFLLP-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021180 654839785 /nfs/dbraw/zinc/83/97/85/654839785.db2.gz JNOWXLLDUFFLLP-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP Cc1nc(Br)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181359337 655335974 /nfs/dbraw/zinc/33/59/74/655335974.db2.gz GLUQMBJSKNCYQJ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1nc(Br)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181359337 655335976 /nfs/dbraw/zinc/33/59/76/655335976.db2.gz GLUQMBJSKNCYQJ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185013999 655361693 /nfs/dbraw/zinc/36/16/93/655361693.db2.gz NPONHJRRBCOTRP-CYBMUJFWSA-N 2 2 388.325 2.972 20 0 GFADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186588407 655370219 /nfs/dbraw/zinc/37/02/19/655370219.db2.gz UCXOMMURFSDYEU-STQMWFEESA-N 2 2 388.325 2.970 20 0 GFADLP COc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365908635 655396295 /nfs/dbraw/zinc/39/62/95/655396295.db2.gz PEMIOFXCALZVMG-LBPRGKRZSA-N 2 2 386.323 2.900 20 0 GFADLP COc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365908635 655396298 /nfs/dbraw/zinc/39/62/98/655396298.db2.gz PEMIOFXCALZVMG-LBPRGKRZSA-N 2 2 386.323 2.900 20 0 GFADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000566067317 655424658 /nfs/dbraw/zinc/42/46/58/655424658.db2.gz VGFDSTVPLHMXCS-KBPBESRZSA-N 2 2 379.302 2.658 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574274198 655427756 /nfs/dbraw/zinc/42/77/56/655427756.db2.gz NYBZOQMQCSMHHK-IEBWSBKVSA-N 2 2 392.341 2.798 20 0 GFADLP C[NH+]1CCC(CNC(=S)NCCc2cccs2)([NH+]2CCCCC2)CC1 ZINC000741878657 655708781 /nfs/dbraw/zinc/70/87/81/655708781.db2.gz ZTCIGMZBKDZCPW-UHFFFAOYSA-N 2 2 380.627 2.705 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511440 661342835 /nfs/dbraw/zinc/34/28/35/661342835.db2.gz ASFXMPNSLHCTES-PKOBYXMFSA-N 2 2 392.341 2.941 20 0 GFADLP C[NH+](C)C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214186 661885153 /nfs/dbraw/zinc/88/51/53/661885153.db2.gz XTTPJOGAZIKVDO-DOMZBBRYSA-N 2 2 376.444 2.687 20 0 GFADLP C[NH+](C)C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214186 661885155 /nfs/dbraw/zinc/88/51/55/661885155.db2.gz XTTPJOGAZIKVDO-DOMZBBRYSA-N 2 2 376.444 2.687 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963838 661963381 /nfs/dbraw/zinc/96/33/81/661963381.db2.gz SCQXTAFQTNZOEU-HNNXBMFYSA-N 2 2 376.372 2.979 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963838 661963387 /nfs/dbraw/zinc/96/33/87/661963387.db2.gz SCQXTAFQTNZOEU-HNNXBMFYSA-N 2 2 376.372 2.979 20 0 GFADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123573 662099711 /nfs/dbraw/zinc/09/97/11/662099711.db2.gz DUQUHJCHFBBJNN-INIZCTEOSA-N 2 2 377.330 2.837 20 0 GFADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123573 662099713 /nfs/dbraw/zinc/09/97/13/662099713.db2.gz DUQUHJCHFBBJNN-INIZCTEOSA-N 2 2 377.330 2.837 20 0 GFADLP Brc1ncccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000865404634 662419272 /nfs/dbraw/zinc/41/92/72/662419272.db2.gz OTYLSEIVGRLKFL-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP Brc1ncccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000865404633 662419407 /nfs/dbraw/zinc/41/94/07/662419407.db2.gz OSDGHIRPXFANMQ-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP C[NH+](C)C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447296 662647213 /nfs/dbraw/zinc/64/72/13/662647213.db2.gz MVEDIKRVGGSPNN-IDOMTICXSA-N 2 2 386.323 2.601 20 0 GFADLP C[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2O)(N2CCCCC2)CC1 ZINC000893070428 663395755 /nfs/dbraw/zinc/39/57/55/663395755.db2.gz VSBGXQGNJCOXBY-UHFFFAOYSA-N 2 2 397.361 2.590 20 0 GFADLP Cc1cccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000921715210 664563455 /nfs/dbraw/zinc/56/34/55/664563455.db2.gz CSKDEOMUHDMETF-UHFFFAOYSA-N 2 2 382.346 2.790 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426230 664630252 /nfs/dbraw/zinc/63/02/52/664630252.db2.gz OFAYXVQYQXEBAJ-VWYCJHECSA-N 2 2 387.229 2.802 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426230 664630253 /nfs/dbraw/zinc/63/02/53/664630253.db2.gz OFAYXVQYQXEBAJ-VWYCJHECSA-N 2 2 387.229 2.802 20 0 GFADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4c2NC(=O)CO4)CC3)cs1 ZINC001164694095 719808906 /nfs/dbraw/zinc/80/89/06/719808906.db2.gz UTHVNPLHCSJKPZ-UHFFFAOYSA-N 2 2 399.520 2.812 20 0 GFADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4c2NC(=O)CO4)CC3)cs1 ZINC001164694095 719808909 /nfs/dbraw/zinc/80/89/09/719808909.db2.gz UTHVNPLHCSJKPZ-UHFFFAOYSA-N 2 2 399.520 2.812 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725322 720471290 /nfs/dbraw/zinc/47/12/90/720471290.db2.gz JOYIALITIRMLHC-FCHUYYIVSA-N 3 2 393.535 2.803 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725322 720471295 /nfs/dbraw/zinc/47/12/95/720471295.db2.gz JOYIALITIRMLHC-FCHUYYIVSA-N 3 2 393.535 2.803 20 0 GFADLP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841164 720504943 /nfs/dbraw/zinc/50/49/43/720504943.db2.gz XSPULMHVWUQOIJ-SLFFLAALSA-N 2 2 395.555 2.651 20 0 GFADLP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841164 720504950 /nfs/dbraw/zinc/50/49/50/720504950.db2.gz XSPULMHVWUQOIJ-SLFFLAALSA-N 2 2 395.555 2.651 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741162 720838431 /nfs/dbraw/zinc/83/84/31/720838431.db2.gz DMEZBIJFEBPWPF-HLAWJBBLSA-N 2 2 395.555 2.708 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741162 720838432 /nfs/dbraw/zinc/83/84/32/720838432.db2.gz DMEZBIJFEBPWPF-HLAWJBBLSA-N 2 2 395.555 2.708 20 0 GFADLP Cc1cccc2c(C)cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]c12 ZINC001164750834 720946862 /nfs/dbraw/zinc/94/68/62/720946862.db2.gz NWYIQKSIIDJIGL-UHFFFAOYSA-N 2 2 393.491 2.694 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762025 721175214 /nfs/dbraw/zinc/17/52/14/721175214.db2.gz BXMWDERFIUCBPH-RTBURBONSA-N 2 2 377.492 2.935 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762025 721175217 /nfs/dbraw/zinc/17/52/17/721175217.db2.gz BXMWDERFIUCBPH-RTBURBONSA-N 2 2 377.492 2.935 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000121536877 551236384 /nfs/dbraw/zinc/23/63/84/551236384.db2.gz ZVYXLWRLXMMHAF-DYVFJYSZSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000121536877 551236387 /nfs/dbraw/zinc/23/63/87/551236387.db2.gz ZVYXLWRLXMMHAF-DYVFJYSZSA-N 2 2 391.313 2.664 20 0 GFADLP C[C@H](C[NH2+][C@H](C)c1ccc(I)cc1)C[NH+]1CCOCC1 ZINC000153310278 551450126 /nfs/dbraw/zinc/45/01/26/551450126.db2.gz PZTXFEYCWFJPNG-ZIAGYGMSSA-N 2 2 388.293 2.910 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856414 551462091 /nfs/dbraw/zinc/46/20/91/551462091.db2.gz NPYSEBQYHXMSAM-SFHVURJKSA-N 2 2 394.357 2.596 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856414 551462094 /nfs/dbraw/zinc/46/20/94/551462094.db2.gz NPYSEBQYHXMSAM-SFHVURJKSA-N 2 2 394.357 2.596 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000156416246 551522527 /nfs/dbraw/zinc/52/25/27/551522527.db2.gz IDQJBTKFUGLWEC-BBRMVZONSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000156416246 551522530 /nfs/dbraw/zinc/52/25/30/551522530.db2.gz IDQJBTKFUGLWEC-BBRMVZONSA-N 2 2 380.330 2.784 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000167616947 551633424 /nfs/dbraw/zinc/63/34/24/551633424.db2.gz VULWCCGIBVXDEO-NVXWUHKLSA-N 2 2 380.330 2.654 20 0 GFADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(Br)c1 ZINC000168948997 551634908 /nfs/dbraw/zinc/63/49/08/551634908.db2.gz JSIYFVJWHMFLSW-LJQANCHMSA-N 2 2 398.389 2.880 20 0 GFADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000183919646 552322731 /nfs/dbraw/zinc/32/27/31/552322731.db2.gz ADRIYLHBVKOOCC-HNNXBMFYSA-N 2 2 378.567 2.584 20 0 GFADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000183919646 552322734 /nfs/dbraw/zinc/32/27/34/552322734.db2.gz ADRIYLHBVKOOCC-HNNXBMFYSA-N 2 2 378.567 2.584 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(Br)c2Cl)CC1 ZINC000184131533 552328249 /nfs/dbraw/zinc/32/82/49/552328249.db2.gz HHOUKVHEVNSTSW-UHFFFAOYSA-N 2 2 388.737 2.858 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937845 552401521 /nfs/dbraw/zinc/40/15/21/552401521.db2.gz IWTBQSMKQNCKCY-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937845 552401522 /nfs/dbraw/zinc/40/15/22/552401522.db2.gz IWTBQSMKQNCKCY-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000193556960 552996778 /nfs/dbraw/zinc/99/67/78/552996778.db2.gz NRABVZRFABMKFA-UHFFFAOYSA-N 2 2 391.313 2.886 20 0 GFADLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000193556960 552996780 /nfs/dbraw/zinc/99/67/80/552996780.db2.gz NRABVZRFABMKFA-UHFFFAOYSA-N 2 2 391.313 2.886 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245922057 553099857 /nfs/dbraw/zinc/09/98/57/553099857.db2.gz SUIFNPKMRSGEPE-SUMWQHHRSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245922057 553099859 /nfs/dbraw/zinc/09/98/59/553099859.db2.gz SUIFNPKMRSGEPE-SUMWQHHRSA-N 2 2 391.313 2.664 20 0 GFADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000247316213 553121634 /nfs/dbraw/zinc/12/16/34/553121634.db2.gz RTHNYECHCIYMRB-TZMCWYRMSA-N 2 2 378.274 2.562 20 0 GFADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000247316213 553121636 /nfs/dbraw/zinc/12/16/36/553121636.db2.gz RTHNYECHCIYMRB-TZMCWYRMSA-N 2 2 378.274 2.562 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000449128520 563906964 /nfs/dbraw/zinc/90/69/64/563906964.db2.gz ZJYPZHTZLROPDY-OAHLLOKOSA-N 2 2 388.737 2.840 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000449128520 563906966 /nfs/dbraw/zinc/90/69/66/563906966.db2.gz ZJYPZHTZLROPDY-OAHLLOKOSA-N 2 2 388.737 2.840 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887376 564300830 /nfs/dbraw/zinc/30/08/30/564300830.db2.gz MRQIHFDYBXYXDG-ZOWXZIJZSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887376 564300832 /nfs/dbraw/zinc/30/08/32/564300832.db2.gz MRQIHFDYBXYXDG-ZOWXZIJZSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295127914 563230107 /nfs/dbraw/zinc/23/01/07/563230107.db2.gz OEAZZIAYCNTZNY-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295127914 563230110 /nfs/dbraw/zinc/23/01/10/563230110.db2.gz OEAZZIAYCNTZNY-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000370393468 563242518 /nfs/dbraw/zinc/24/25/18/563242518.db2.gz BTMBZGSHFCUHTL-CQSZACIVSA-N 2 2 376.492 2.930 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000370393468 563242520 /nfs/dbraw/zinc/24/25/20/563242520.db2.gz BTMBZGSHFCUHTL-CQSZACIVSA-N 2 2 376.492 2.930 20 0 GFADLP CCn1nc(C)c(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000295449062 563248455 /nfs/dbraw/zinc/24/84/55/563248455.db2.gz QBFAPIQGFQNXHC-UHFFFAOYSA-N 2 2 377.290 2.657 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000278376045 563252380 /nfs/dbraw/zinc/25/23/80/563252380.db2.gz LAKDHZMANQCPIO-UHFFFAOYSA-N 2 2 377.330 2.979 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829147 563257509 /nfs/dbraw/zinc/25/75/09/563257509.db2.gz DUSIKYHTAUBNRJ-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829147 563257511 /nfs/dbraw/zinc/25/75/11/563257511.db2.gz DUSIKYHTAUBNRJ-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358215 563262912 /nfs/dbraw/zinc/26/29/12/563262912.db2.gz FDAZMLRRWXGIAQ-NUPCCRGMSA-N 2 2 376.245 2.642 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569932 563293028 /nfs/dbraw/zinc/29/30/28/563293028.db2.gz SWGLZCLRRKOZIT-WAAKLRNESA-N 2 2 392.352 2.917 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569932 563293031 /nfs/dbraw/zinc/29/30/31/563293031.db2.gz SWGLZCLRRKOZIT-WAAKLRNESA-N 2 2 392.352 2.917 20 0 GFADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000373500944 563340038 /nfs/dbraw/zinc/34/00/38/563340038.db2.gz GXMQHTGRXUAIQM-INIZCTEOSA-N 2 2 385.221 2.972 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933088 563350827 /nfs/dbraw/zinc/35/08/27/563350827.db2.gz BGBZVGWYDLWTGY-INMHGKMJSA-N 2 2 382.346 2.632 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423337800 563360140 /nfs/dbraw/zinc/36/01/40/563360140.db2.gz VWLMGFQRTDQQJU-BXUZGUMPSA-N 2 2 384.265 2.534 20 0 GFADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423571296 563362159 /nfs/dbraw/zinc/36/21/59/563362159.db2.gz NOVGUZOZSIODOK-PWSUYJOCSA-N 2 2 379.810 2.654 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000375202484 563394751 /nfs/dbraw/zinc/39/47/51/563394751.db2.gz QSUZFQLVZTVFPH-GXTWGEPZSA-N 2 2 376.492 2.928 20 0 GFADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301326532 563400074 /nfs/dbraw/zinc/40/00/74/563400074.db2.gz ZHHGFWSOSHGEGR-UHFFFAOYSA-N 2 2 377.286 2.573 20 0 GFADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256626 563608533 /nfs/dbraw/zinc/60/85/33/563608533.db2.gz AYRCBVJPERLJSL-WBVHZDCISA-N 2 2 380.330 2.971 20 0 GFADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256626 563608536 /nfs/dbraw/zinc/60/85/36/563608536.db2.gz AYRCBVJPERLJSL-WBVHZDCISA-N 2 2 380.330 2.971 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411688177 563629618 /nfs/dbraw/zinc/62/96/18/563629618.db2.gz MYIVFQFOFSWTFM-LLVKDONJSA-N 2 2 378.464 2.802 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360694020 563694566 /nfs/dbraw/zinc/69/45/66/563694566.db2.gz VLVVFXNHHKMCRB-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360694020 563694572 /nfs/dbraw/zinc/69/45/72/563694572.db2.gz VLVVFXNHHKMCRB-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c[nH+]c12 ZINC000414517124 563746065 /nfs/dbraw/zinc/74/60/65/563746065.db2.gz QLFIFTVTBHARJR-UHFFFAOYSA-N 2 2 388.331 2.708 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205254 563746158 /nfs/dbraw/zinc/74/61/58/563746158.db2.gz GMVQQNJJIZUXCK-KRWDZBQOSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205254 563746160 /nfs/dbraw/zinc/74/61/60/563746160.db2.gz GMVQQNJJIZUXCK-KRWDZBQOSA-N 2 2 381.973 2.858 20 0 GFADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc(Br)c1OC(F)F ZINC000415048795 563756869 /nfs/dbraw/zinc/75/68/69/563756869.db2.gz XJLQDKSLBOJMGW-LLVKDONJSA-N 2 2 395.244 2.527 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584923 563787500 /nfs/dbraw/zinc/78/75/00/563787500.db2.gz MTZBKNGFGTWXRA-BAABZTOOSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584923 563787501 /nfs/dbraw/zinc/78/75/01/563787501.db2.gz MTZBKNGFGTWXRA-BAABZTOOSA-N 2 2 398.370 2.809 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368074866 563863147 /nfs/dbraw/zinc/86/31/47/563863147.db2.gz KCCKRIKZZSJAIL-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275053 563891374 /nfs/dbraw/zinc/89/13/74/563891374.db2.gz UYTUWVGPQLYZAH-INIZCTEOSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275053 563891376 /nfs/dbraw/zinc/89/13/76/563891376.db2.gz UYTUWVGPQLYZAH-INIZCTEOSA-N 2 2 394.357 2.666 20 0 GFADLP COc1nccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000449326886 564180693 /nfs/dbraw/zinc/18/06/93/564180693.db2.gz ZZKRXWADTBVDCP-UHFFFAOYSA-N 2 2 392.257 2.740 20 0 GFADLP COc1nccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000449326886 564180695 /nfs/dbraw/zinc/18/06/95/564180695.db2.gz ZZKRXWADTBVDCP-UHFFFAOYSA-N 2 2 392.257 2.740 20 0 GFADLP COc1nccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000449326886 564180696 /nfs/dbraw/zinc/18/06/96/564180696.db2.gz ZZKRXWADTBVDCP-UHFFFAOYSA-N 2 2 392.257 2.740 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449599497 564191116 /nfs/dbraw/zinc/19/11/16/564191116.db2.gz LESUXYGAQZGQRE-QOKNQOGYSA-N 2 2 381.358 2.981 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449599497 564191117 /nfs/dbraw/zinc/19/11/17/564191117.db2.gz LESUXYGAQZGQRE-QOKNQOGYSA-N 2 2 381.358 2.981 20 0 GFADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601150 564192356 /nfs/dbraw/zinc/19/23/56/564192356.db2.gz QQYIYEXKFZIUJF-QRTARXTBSA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449601150 564192361 /nfs/dbraw/zinc/19/23/61/564192361.db2.gz QQYIYEXKFZIUJF-QRTARXTBSA-N 2 2 385.346 2.539 20 0 GFADLP C[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763137 564200230 /nfs/dbraw/zinc/20/02/30/564200230.db2.gz IJSKTRLGHLXEKR-QAPCUYQASA-N 2 2 394.357 2.791 20 0 GFADLP C[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763137 564200234 /nfs/dbraw/zinc/20/02/34/564200234.db2.gz IJSKTRLGHLXEKR-QAPCUYQASA-N 2 2 394.357 2.791 20 0 GFADLP O=C(NCC1CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000563884456 564211390 /nfs/dbraw/zinc/21/13/90/564211390.db2.gz UXLRFIROGDBMET-KRWDZBQOSA-N 2 2 380.330 2.702 20 0 GFADLP Brc1cnc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000473987469 564260636 /nfs/dbraw/zinc/26/06/36/564260636.db2.gz NMQSWRNCZYYRFQ-SNVBAGLBSA-N 2 2 386.091 2.908 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509433875 564299580 /nfs/dbraw/zinc/29/95/80/564299580.db2.gz VVXFAEZDKFOPBP-AWEZNQCLSA-N 2 2 394.357 2.969 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509433875 564299582 /nfs/dbraw/zinc/29/95/82/564299582.db2.gz VVXFAEZDKFOPBP-AWEZNQCLSA-N 2 2 394.357 2.969 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425808 564326313 /nfs/dbraw/zinc/32/63/13/564326313.db2.gz YWWOHRHTTBTIGE-DOTOQJQBSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425808 564326318 /nfs/dbraw/zinc/32/63/18/564326318.db2.gz YWWOHRHTTBTIGE-DOTOQJQBSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425809 564326429 /nfs/dbraw/zinc/32/64/29/564326429.db2.gz YWWOHRHTTBTIGE-NVXWUHKLSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425809 564326433 /nfs/dbraw/zinc/32/64/33/564326433.db2.gz YWWOHRHTTBTIGE-NVXWUHKLSA-N 2 2 385.346 2.601 20 0 GFADLP O=C(C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)N1CCCCC1 ZINC000510953676 564350564 /nfs/dbraw/zinc/35/05/64/564350564.db2.gz RIPQFOYHPPJYRN-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP O=C(C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)N1CCCCC1 ZINC000510953676 564350567 /nfs/dbraw/zinc/35/05/67/564350567.db2.gz RIPQFOYHPPJYRN-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP CCCCNC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933611 564350608 /nfs/dbraw/zinc/35/06/08/564350608.db2.gz IHMHQVDTFNZAFO-UHFFFAOYSA-N 2 2 383.290 2.657 20 0 GFADLP CCCCNC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933611 564350611 /nfs/dbraw/zinc/35/06/11/564350611.db2.gz IHMHQVDTFNZAFO-UHFFFAOYSA-N 2 2 383.290 2.657 20 0 GFADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000544143821 564376957 /nfs/dbraw/zinc/37/69/57/564376957.db2.gz OOSVQDWOOGRBAD-SFHVURJKSA-N 2 2 394.357 2.620 20 0 GFADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000544143821 564376961 /nfs/dbraw/zinc/37/69/61/564376961.db2.gz OOSVQDWOOGRBAD-SFHVURJKSA-N 2 2 394.357 2.620 20 0 GFADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544681735 564394253 /nfs/dbraw/zinc/39/42/53/564394253.db2.gz GUCKWBPOGJBOEF-CYBMUJFWSA-N 2 2 396.333 2.935 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000568513747 564422053 /nfs/dbraw/zinc/42/20/53/564422053.db2.gz LTILDZMYNXJVCO-SFHVURJKSA-N 2 2 394.357 2.621 20 0 GFADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562628 564459282 /nfs/dbraw/zinc/45/92/82/564459282.db2.gz BTJMJLMNWMVXOQ-INIZCTEOSA-N 2 2 382.327 2.729 20 0 GFADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562628 564459288 /nfs/dbraw/zinc/45/92/88/564459288.db2.gz BTJMJLMNWMVXOQ-INIZCTEOSA-N 2 2 382.327 2.729 20 0 GFADLP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000517567457 564536592 /nfs/dbraw/zinc/53/65/92/564536592.db2.gz PHCDRZQMRHNLMA-QGZVFWFLSA-N 2 2 385.339 2.692 20 0 GFADLP O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000517567457 564536595 /nfs/dbraw/zinc/53/65/95/564536595.db2.gz PHCDRZQMRHNLMA-QGZVFWFLSA-N 2 2 385.339 2.692 20 0 GFADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455870440 564577702 /nfs/dbraw/zinc/57/77/02/564577702.db2.gz SLJRUYYIEVOUMT-GFCCVEGCSA-N 2 2 384.322 2.764 20 0 GFADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455870440 564577704 /nfs/dbraw/zinc/57/77/04/564577704.db2.gz SLJRUYYIEVOUMT-GFCCVEGCSA-N 2 2 384.322 2.764 20 0 GFADLP C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000519595083 564582459 /nfs/dbraw/zinc/58/24/59/564582459.db2.gz GJQQSCUUJDHWGE-AWEZNQCLSA-N 2 2 389.359 2.544 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000572148957 564583234 /nfs/dbraw/zinc/58/32/34/564583234.db2.gz LLCABOVFVDQZAH-DGCLKSJQSA-N 2 2 388.693 2.717 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000486049872 564637136 /nfs/dbraw/zinc/63/71/36/564637136.db2.gz CGESKXBNYUUVPR-ZDUSSCGKSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000486049872 564637140 /nfs/dbraw/zinc/63/71/40/564637140.db2.gz CGESKXBNYUUVPR-ZDUSSCGKSA-N 2 2 375.822 2.755 20 0 GFADLP C[NH2+]C[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000580643495 564767646 /nfs/dbraw/zinc/76/76/46/564767646.db2.gz DLEAJGVSELZDCK-CQSZACIVSA-N 2 2 379.302 2.530 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[nH+]c12 ZINC000580985263 564781940 /nfs/dbraw/zinc/78/19/40/564781940.db2.gz VSLMMGOTNVPWDB-ZDUSSCGKSA-N 2 2 396.333 2.933 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[nH+]c12 ZINC000580985263 564781945 /nfs/dbraw/zinc/78/19/45/564781945.db2.gz VSLMMGOTNVPWDB-ZDUSSCGKSA-N 2 2 396.333 2.933 20 0 GFADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]1 ZINC000581071034 564786980 /nfs/dbraw/zinc/78/69/80/564786980.db2.gz JICKCEBGSUZKOJ-XOKHGSTOSA-N 2 2 380.330 2.843 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000581496723 564805430 /nfs/dbraw/zinc/80/54/30/564805430.db2.gz WGOFBAGTUOWANG-LBPRGKRZSA-N 2 2 382.295 2.716 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000529564539 564843226 /nfs/dbraw/zinc/84/32/26/564843226.db2.gz FEEDYGAJFCROGU-UHFFFAOYSA-N 2 2 375.460 2.753 20 0 GFADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000497264556 564863219 /nfs/dbraw/zinc/86/32/19/564863219.db2.gz GYYVYLSMMIMPTO-MZMPZRCHSA-N 2 2 385.936 2.778 20 0 GFADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000497264556 564863222 /nfs/dbraw/zinc/86/32/22/564863222.db2.gz GYYVYLSMMIMPTO-MZMPZRCHSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000497264556 564863225 /nfs/dbraw/zinc/86/32/25/564863225.db2.gz GYYVYLSMMIMPTO-MZMPZRCHSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000497264556 564863227 /nfs/dbraw/zinc/86/32/27/564863227.db2.gz GYYVYLSMMIMPTO-MZMPZRCHSA-N 2 2 385.936 2.778 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226824 564873280 /nfs/dbraw/zinc/87/32/80/564873280.db2.gz TXCPMIWJSJSGLT-GFCCVEGCSA-N 2 2 386.244 2.615 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226824 564873282 /nfs/dbraw/zinc/87/32/82/564873282.db2.gz TXCPMIWJSJSGLT-GFCCVEGCSA-N 2 2 386.244 2.615 20 0 GFADLP Brc1cncc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000466364250 564939022 /nfs/dbraw/zinc/93/90/22/564939022.db2.gz JMXBUFZDYGXRJI-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000560576077 564968296 /nfs/dbraw/zinc/96/82/96/564968296.db2.gz FIDKABRFFJSINM-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000560576077 564968298 /nfs/dbraw/zinc/96/82/98/564968298.db2.gz FIDKABRFFJSINM-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@H](C[NH3+])C1 ZINC000560979227 564980045 /nfs/dbraw/zinc/98/00/45/564980045.db2.gz XXXHOFRTZSYDIF-SNVBAGLBSA-N 2 2 378.876 2.804 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@H](C[NH3+])C1 ZINC000560979227 564980047 /nfs/dbraw/zinc/98/00/47/564980047.db2.gz XXXHOFRTZSYDIF-SNVBAGLBSA-N 2 2 378.876 2.804 20 0 GFADLP CC(=O)NCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000503246498 565016293 /nfs/dbraw/zinc/01/62/93/565016293.db2.gz ZYLYOEARNSXEMK-AWEZNQCLSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(Br)s1 ZINC000503246498 565016298 /nfs/dbraw/zinc/01/62/98/565016298.db2.gz ZYLYOEARNSXEMK-AWEZNQCLSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000503246498 565016301 /nfs/dbraw/zinc/01/63/01/565016301.db2.gz ZYLYOEARNSXEMK-AWEZNQCLSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000503246498 565016304 /nfs/dbraw/zinc/01/63/04/565016304.db2.gz ZYLYOEARNSXEMK-AWEZNQCLSA-N 2 2 388.375 2.933 20 0 GFADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155264 565057357 /nfs/dbraw/zinc/05/73/57/565057357.db2.gz DUOKOXZUKOVUDS-OAHLLOKOSA-N 2 2 395.301 2.535 20 0 GFADLP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000563155264 565057358 /nfs/dbraw/zinc/05/73/58/565057358.db2.gz DUOKOXZUKOVUDS-OAHLLOKOSA-N 2 2 395.301 2.535 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000584499417 565084249 /nfs/dbraw/zinc/08/42/49/565084249.db2.gz KTKMSVQDFDFOAP-DGCLKSJQSA-N 2 2 396.310 2.538 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc21 ZINC000584499417 565084251 /nfs/dbraw/zinc/08/42/51/565084251.db2.gz KTKMSVQDFDFOAP-DGCLKSJQSA-N 2 2 396.310 2.538 20 0 GFADLP Brc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c(N2CCOCC2)c1 ZINC000657402297 565099207 /nfs/dbraw/zinc/09/92/07/565099207.db2.gz CNYQUYVNAMJUNE-UHFFFAOYSA-N 2 2 391.313 2.718 20 0 GFADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000585765243 565110234 /nfs/dbraw/zinc/11/02/34/565110234.db2.gz HPMZJTWCDWYSQB-UHFFFAOYSA-N 2 2 390.281 2.953 20 0 GFADLP COc1nsc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1Br ZINC000638670031 565207381 /nfs/dbraw/zinc/20/73/81/565207381.db2.gz ZUGQMOGIDIVZCB-LLVKDONJSA-N 2 2 390.347 2.505 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1c(F)cc(Br)cc1F ZINC000638988102 565220334 /nfs/dbraw/zinc/22/03/34/565220334.db2.gz RZTPVQYDFQJHSP-UHFFFAOYSA-N 2 2 397.223 2.784 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2N)C1=O ZINC000638981267 565220448 /nfs/dbraw/zinc/22/04/48/565220448.db2.gz QHGVEGBDOLNNSD-CQSZACIVSA-N 2 2 382.295 2.590 20 0 GFADLP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706321 565255933 /nfs/dbraw/zinc/25/59/33/565255933.db2.gz XVEJZQJHFXQHHS-QGZVFWFLSA-N 2 2 389.297 2.583 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000617763130 565256691 /nfs/dbraw/zinc/25/66/91/565256691.db2.gz GENDNMAZFFQBQL-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(Br)cccc2cn1 ZINC000617763130 565256698 /nfs/dbraw/zinc/25/66/98/565256698.db2.gz GENDNMAZFFQBQL-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP Cc1cc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000617766011 565258428 /nfs/dbraw/zinc/25/84/28/565258428.db2.gz ZBTFAZXGLHBFOM-UHFFFAOYSA-N 2 2 384.362 2.690 20 0 GFADLP Cc1cc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000617766011 565258431 /nfs/dbraw/zinc/25/84/31/565258431.db2.gz ZBTFAZXGLHBFOM-UHFFFAOYSA-N 2 2 384.362 2.690 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000617765663 565258765 /nfs/dbraw/zinc/25/87/65/565258765.db2.gz LJCACRWPZKXEDM-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc(Cl)ccc1Br ZINC000617765663 565258768 /nfs/dbraw/zinc/25/87/68/565258768.db2.gz LJCACRWPZKXEDM-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(Br)cc1Cl ZINC000660144975 565259460 /nfs/dbraw/zinc/25/94/60/565259460.db2.gz KHXUYVKRUWVPCB-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(Br)cc1Cl ZINC000660144975 565259464 /nfs/dbraw/zinc/25/94/64/565259464.db2.gz KHXUYVKRUWVPCB-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP CO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534734 565281361 /nfs/dbraw/zinc/28/13/61/565281361.db2.gz HSJNDLUDIUTCPT-ZBFHGGJFSA-N 2 2 398.301 2.792 20 0 GFADLP CO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534734 565281364 /nfs/dbraw/zinc/28/13/64/565281364.db2.gz HSJNDLUDIUTCPT-ZBFHGGJFSA-N 2 2 398.301 2.792 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662279946 565357615 /nfs/dbraw/zinc/35/76/15/565357615.db2.gz BGIYWHWNPHIYCT-JKSUJKDBSA-N 2 2 384.318 2.571 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)c1ccsc1 ZINC000662379106 565364737 /nfs/dbraw/zinc/36/47/37/565364737.db2.gz PTKSFJCTCABKSI-CABCVRRESA-N 2 2 382.327 2.930 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1Br ZINC000662404446 565365950 /nfs/dbraw/zinc/36/59/50/565365950.db2.gz FNOFJYSUJWKGBV-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1Br ZINC000662404446 565365954 /nfs/dbraw/zinc/36/59/54/565365954.db2.gz FNOFJYSUJWKGBV-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP C[NH+](C)C1CC[NH+](CCN=c2[nH]c3c(cccc3Br)s2)CC1 ZINC000621275543 565414781 /nfs/dbraw/zinc/41/47/81/565414781.db2.gz ZLCLYCOEZMVWOA-UHFFFAOYSA-N 2 2 383.359 2.919 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895722 565496024 /nfs/dbraw/zinc/49/60/24/565496024.db2.gz TXXHFQAITHAMKU-VBQJREDUSA-N 2 2 381.314 2.985 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895722 565496032 /nfs/dbraw/zinc/49/60/32/565496032.db2.gz TXXHFQAITHAMKU-VBQJREDUSA-N 2 2 381.314 2.985 20 0 GFADLP Ic1cnc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000596058407 565511522 /nfs/dbraw/zinc/51/15/22/565511522.db2.gz HIUMBZWONIUUSX-GFCCVEGCSA-N 2 2 391.322 2.959 20 0 GFADLP Ic1cnc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596058407 565511519 /nfs/dbraw/zinc/51/15/19/565511519.db2.gz HIUMBZWONIUUSX-GFCCVEGCSA-N 2 2 391.322 2.959 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000623620373 565521667 /nfs/dbraw/zinc/52/16/67/565521667.db2.gz ODBOATXJQFIFLE-ZDUSSCGKSA-N 2 2 380.286 2.625 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1oc2ccccc2c1Br ZINC000623620373 565521672 /nfs/dbraw/zinc/52/16/72/565521672.db2.gz ODBOATXJQFIFLE-ZDUSSCGKSA-N 2 2 380.286 2.625 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000667683608 565600512 /nfs/dbraw/zinc/60/05/12/565600512.db2.gz WINSWNKPFLZKBD-KBXCAEBGSA-N 2 2 381.362 2.610 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000667683608 565600518 /nfs/dbraw/zinc/60/05/18/565600518.db2.gz WINSWNKPFLZKBD-KBXCAEBGSA-N 2 2 381.362 2.610 20 0 GFADLP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647056164 565634456 /nfs/dbraw/zinc/63/44/56/565634456.db2.gz UZRCIRAEJFKYCW-IRXDYDNUSA-N 2 2 392.341 2.844 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814774 565678689 /nfs/dbraw/zinc/67/86/89/565678689.db2.gz FISXDCGMSGGOSG-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814774 565678694 /nfs/dbraw/zinc/67/86/94/565678694.db2.gz FISXDCGMSGGOSG-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978656 565686191 /nfs/dbraw/zinc/68/61/91/565686191.db2.gz WIACTSNFXGXZLR-INMHGKMJSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978656 565686198 /nfs/dbraw/zinc/68/61/98/565686198.db2.gz WIACTSNFXGXZLR-INMHGKMJSA-N 2 2 380.330 2.687 20 0 GFADLP CN(Cc1ncc(Br)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000628278767 565781630 /nfs/dbraw/zinc/78/16/30/565781630.db2.gz GVXCOQDRYQLHIN-HNNXBMFYSA-N 2 2 385.325 2.584 20 0 GFADLP CN(Cc1ncc(Br)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000628278767 565781640 /nfs/dbraw/zinc/78/16/40/565781640.db2.gz GVXCOQDRYQLHIN-HNNXBMFYSA-N 2 2 385.325 2.584 20 0 GFADLP COCCOCC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000651485520 565865907 /nfs/dbraw/zinc/86/59/07/565865907.db2.gz CLPCGHNBUHWYOW-UHFFFAOYSA-N 2 2 394.313 2.782 20 0 GFADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886642 565920135 /nfs/dbraw/zinc/92/01/35/565920135.db2.gz KEFQTQPPTJKLRJ-KDOFPFPSSA-N 2 2 384.351 2.977 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622874 565974698 /nfs/dbraw/zinc/97/46/98/565974698.db2.gz ZFQIHHCQDJJFIY-IAGOWNOFSA-N 2 2 389.309 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622874 565974701 /nfs/dbraw/zinc/97/47/01/565974701.db2.gz ZFQIHHCQDJJFIY-IAGOWNOFSA-N 2 2 389.309 2.568 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622873 565974938 /nfs/dbraw/zinc/97/49/38/565974938.db2.gz ZFQIHHCQDJJFIY-DLBZAZTESA-N 2 2 389.309 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622873 565974942 /nfs/dbraw/zinc/97/49/42/565974942.db2.gz ZFQIHHCQDJJFIY-DLBZAZTESA-N 2 2 389.309 2.568 20 0 GFADLP OC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737160 566086081 /nfs/dbraw/zinc/08/60/81/566086081.db2.gz WGGACXAGOGIQAM-ZWKOTPCHSA-N 2 2 383.330 2.716 20 0 GFADLP OC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733697 566086188 /nfs/dbraw/zinc/08/61/88/566086188.db2.gz QAOUAHGJZIELGX-ROUUACIJSA-N 2 2 383.330 2.716 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000684553059 566238146 /nfs/dbraw/zinc/23/81/46/566238146.db2.gz YOJCCVQACZNSPP-MRXNPFEDSA-N 2 2 380.330 2.535 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)c1n[nH]c2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000262094920 570615912 /nfs/dbraw/zinc/61/59/12/570615912.db2.gz HRXXTICNHSDPRP-QGZVFWFLSA-N 2 2 378.480 2.564 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826514048 607478707 /nfs/dbraw/zinc/47/87/07/607478707.db2.gz FQKYQMYPQOQKDG-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826514048 607478708 /nfs/dbraw/zinc/47/87/08/607478708.db2.gz FQKYQMYPQOQKDG-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826514048 607478709 /nfs/dbraw/zinc/47/87/09/607478709.db2.gz FQKYQMYPQOQKDG-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826514048 607478710 /nfs/dbraw/zinc/47/87/10/607478710.db2.gz FQKYQMYPQOQKDG-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253202 606500134 /nfs/dbraw/zinc/50/01/34/606500134.db2.gz DVFGEWLENVSZJE-WFASDCNBSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253202 606500136 /nfs/dbraw/zinc/50/01/36/606500136.db2.gz DVFGEWLENVSZJE-WFASDCNBSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253202 606500138 /nfs/dbraw/zinc/50/01/38/606500138.db2.gz DVFGEWLENVSZJE-WFASDCNBSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253202 606500139 /nfs/dbraw/zinc/50/01/39/606500139.db2.gz DVFGEWLENVSZJE-WFASDCNBSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451846 608316505 /nfs/dbraw/zinc/31/65/05/608316505.db2.gz LFEFOSQCKIMOLP-YJBOKZPZSA-N 2 2 394.527 2.523 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451846 608316507 /nfs/dbraw/zinc/31/65/07/608316507.db2.gz LFEFOSQCKIMOLP-YJBOKZPZSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451846 608316509 /nfs/dbraw/zinc/31/65/09/608316509.db2.gz LFEFOSQCKIMOLP-YJBOKZPZSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451846 608316511 /nfs/dbraw/zinc/31/65/11/608316511.db2.gz LFEFOSQCKIMOLP-YJBOKZPZSA-N 2 2 394.527 2.523 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521533 608845806 /nfs/dbraw/zinc/84/58/06/608845806.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521533 608845808 /nfs/dbraw/zinc/84/58/08/608845808.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521533 608845811 /nfs/dbraw/zinc/84/58/11/608845811.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521533 608845814 /nfs/dbraw/zinc/84/58/14/608845814.db2.gz QGCHURHTZLHPDS-PKOBYXMFSA-N 2 2 378.480 2.946 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594264 609336299 /nfs/dbraw/zinc/33/62/99/609336299.db2.gz JFOPYYLWNIQMMP-DOXZYTNZSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594264 609336300 /nfs/dbraw/zinc/33/63/00/609336300.db2.gz JFOPYYLWNIQMMP-DOXZYTNZSA-N 2 2 390.507 2.793 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825561 660381078 /nfs/dbraw/zinc/38/10/78/660381078.db2.gz SVCDOZKQQMUJJY-LSDHHAIUSA-N 2 2 376.298 2.950 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825561 660381079 /nfs/dbraw/zinc/38/10/79/660381079.db2.gz SVCDOZKQQMUJJY-LSDHHAIUSA-N 2 2 376.298 2.950 20 0 GFADLP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(Cl)n1 ZINC000826030975 660448100 /nfs/dbraw/zinc/44/81/00/660448100.db2.gz ZHQSATCLHZCHFD-INIZCTEOSA-N 2 2 378.929 2.839 20 0 GFADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772411 /nfs/dbraw/zinc/77/24/11/654772411.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772415 /nfs/dbraw/zinc/77/24/15/654772415.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772418 /nfs/dbraw/zinc/77/24/18/654772418.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772420 /nfs/dbraw/zinc/77/24/20/654772420.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132917 655017667 /nfs/dbraw/zinc/01/76/67/655017667.db2.gz WLLKDXYAPXJABM-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132917 655017670 /nfs/dbraw/zinc/01/76/70/655017670.db2.gz WLLKDXYAPXJABM-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000576628278 655450002 /nfs/dbraw/zinc/45/00/02/655450002.db2.gz SVPKDPGLXPWRGC-NSHDSACASA-N 2 2 382.331 2.873 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410634 656527076 /nfs/dbraw/zinc/52/70/76/656527076.db2.gz BZDCEASFZWVUKL-HIFRSBDPSA-N 2 2 387.355 2.633 20 0 GFADLP CC(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)[NH+](C)C ZINC000787670296 657584607 /nfs/dbraw/zinc/58/46/07/657584607.db2.gz MOQKAVFXQQGFEC-KRWDZBQOSA-N 2 2 397.361 2.726 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000799933932 659246075 /nfs/dbraw/zinc/24/60/75/659246075.db2.gz GPVMNLAGCTTWGB-RYUDHWBXSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000799933932 659246088 /nfs/dbraw/zinc/24/60/88/659246088.db2.gz GPVMNLAGCTTWGB-RYUDHWBXSA-N 2 2 380.261 2.833 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227402 661538904 /nfs/dbraw/zinc/53/89/04/661538904.db2.gz QJDQCNHWMATUCD-RTXFEEFZSA-N 2 2 380.842 2.953 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227402 661538906 /nfs/dbraw/zinc/53/89/06/661538906.db2.gz QJDQCNHWMATUCD-RTXFEEFZSA-N 2 2 380.842 2.953 20 0 GFADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009530 661849112 /nfs/dbraw/zinc/84/91/12/661849112.db2.gz MSGJBUCDZMQMBS-QZTJIDSGSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009530 661849115 /nfs/dbraw/zinc/84/91/15/661849115.db2.gz MSGJBUCDZMQMBS-QZTJIDSGSA-N 2 2 383.330 2.669 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1ccccc1Br ZINC000855414931 661991252 /nfs/dbraw/zinc/99/12/52/661991252.db2.gz NJKJGYCMJJDUGM-UHFFFAOYSA-N 2 2 392.288 2.541 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1ccccc1Br ZINC000855414931 661991264 /nfs/dbraw/zinc/99/12/64/661991264.db2.gz NJKJGYCMJJDUGM-UHFFFAOYSA-N 2 2 392.288 2.541 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283205 662279270 /nfs/dbraw/zinc/27/92/70/662279270.db2.gz CHJSMLQDAOHGML-XJKSGUPXSA-N 2 2 379.517 2.658 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000877894379 662885463 /nfs/dbraw/zinc/88/54/63/662885463.db2.gz LGXPNJPNYHXQAD-IBGZPJMESA-N 2 2 375.563 2.968 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000877894379 662885464 /nfs/dbraw/zinc/88/54/64/662885464.db2.gz LGXPNJPNYHXQAD-IBGZPJMESA-N 2 2 375.563 2.968 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883378070 663054326 /nfs/dbraw/zinc/05/43/26/663054326.db2.gz YPPUYXZMASLNKZ-KRWDZBQOSA-N 2 2 378.314 2.919 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200348 663066899 /nfs/dbraw/zinc/06/68/99/663066899.db2.gz ZQRLFNJBJVZDGY-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200348 663066900 /nfs/dbraw/zinc/06/69/00/663066900.db2.gz ZQRLFNJBJVZDGY-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP Brc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727137 663805141 /nfs/dbraw/zinc/80/51/41/663805141.db2.gz QWCDBTHBPNVFON-BZSNNMDCSA-N 2 2 381.314 2.591 20 0 GFADLP Brc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727137 663805143 /nfs/dbraw/zinc/80/51/43/663805143.db2.gz QWCDBTHBPNVFON-BZSNNMDCSA-N 2 2 381.314 2.591 20 0 GFADLP CCO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+](C)C ZINC000922755319 664613463 /nfs/dbraw/zinc/61/34/63/664613463.db2.gz BFMBLXPRGONQHQ-GFCCVEGCSA-N 2 2 387.347 2.957 20 0 GFADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585030 664673449 /nfs/dbraw/zinc/67/34/49/664673449.db2.gz RKLGFUUEMVHVQD-DHSIGJKJSA-N 2 2 379.298 2.867 20 0 GFADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776543 664674547 /nfs/dbraw/zinc/67/45/47/664674547.db2.gz LIEFZBMAMXNQSV-JSGCOSHPSA-N 2 2 395.903 2.534 20 0 GFADLP Brc1ccc(C[N@H+](CCO[C@@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000930445708 664770625 /nfs/dbraw/zinc/77/06/25/664770625.db2.gz JAMNQGIHBOSIGX-OAHLLOKOSA-N 2 2 384.274 2.546 20 0 GFADLP Brc1ccc(C[N@@H+](CCO[C@@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000930445708 664770626 /nfs/dbraw/zinc/77/06/26/664770626.db2.gz JAMNQGIHBOSIGX-OAHLLOKOSA-N 2 2 384.274 2.546 20 0 GFADLP COc1cc(Br)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000932713638 664832669 /nfs/dbraw/zinc/83/26/69/664832669.db2.gz QBGDVKUSNIQMRE-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1cc(Br)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000932713638 664832672 /nfs/dbraw/zinc/83/26/72/664832672.db2.gz QBGDVKUSNIQMRE-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806403 720066191 /nfs/dbraw/zinc/06/61/91/720066191.db2.gz CBXUKAHJECFEQX-SIKLNZKXSA-N 2 2 385.556 2.792 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806403 720066193 /nfs/dbraw/zinc/06/61/93/720066193.db2.gz CBXUKAHJECFEQX-SIKLNZKXSA-N 2 2 385.556 2.792 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164840475 720656832 /nfs/dbraw/zinc/65/68/32/720656832.db2.gz MSHZLSVEKDAPJU-IBGZPJMESA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164840475 720656843 /nfs/dbraw/zinc/65/68/43/720656843.db2.gz MSHZLSVEKDAPJU-IBGZPJMESA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164840475 720656847 /nfs/dbraw/zinc/65/68/47/720656847.db2.gz MSHZLSVEKDAPJU-IBGZPJMESA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164840475 720656853 /nfs/dbraw/zinc/65/68/53/720656853.db2.gz MSHZLSVEKDAPJU-IBGZPJMESA-N 2 2 381.524 2.803 20 0 GFADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@@H]2C1 ZINC001164858442 720855498 /nfs/dbraw/zinc/85/54/98/720855498.db2.gz SCWCKLZIYYWPHB-DYESRHJHSA-N 2 2 385.508 2.725 20 0 GFADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@@H]2C1 ZINC001164858442 720855499 /nfs/dbraw/zinc/85/54/99/720855499.db2.gz SCWCKLZIYYWPHB-DYESRHJHSA-N 2 2 385.508 2.725 20 0 GFADLP Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164749904 720875208 /nfs/dbraw/zinc/87/52/08/720875208.db2.gz ICEYJUKQTVPLFQ-NFBKMPQASA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164749904 720875210 /nfs/dbraw/zinc/87/52/10/720875210.db2.gz ICEYJUKQTVPLFQ-NFBKMPQASA-N 2 2 393.535 2.814 20 0 GFADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000359907090 209201036 /nfs/dbraw/zinc/20/10/36/209201036.db2.gz MTLKBZHLRSRWRG-UHFFFAOYSA-N 2 2 375.476 2.796 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)cs3)CC2)CC1 ZINC000050797488 551161483 /nfs/dbraw/zinc/16/14/83/551161483.db2.gz SFGCRFUELBMILM-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093665047 551195734 /nfs/dbraw/zinc/19/57/34/551195734.db2.gz SBZSOPLDZDSIET-OAHLLOKOSA-N 2 2 393.325 2.879 20 0 GFADLP Brc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093665047 551195737 /nfs/dbraw/zinc/19/57/37/551195737.db2.gz SBZSOPLDZDSIET-OAHLLOKOSA-N 2 2 393.325 2.879 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299475 551471619 /nfs/dbraw/zinc/47/16/19/551471619.db2.gz NQNYNUJFPJFPKV-GXSJLCMTSA-N 2 2 380.124 2.785 20 0 GFADLP O=C(C[NH+]1CCC(C(F)(F)F)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000174183670 552101878 /nfs/dbraw/zinc/10/18/78/552101878.db2.gz NENBRVRZDSHOCK-UHFFFAOYSA-N 2 2 375.460 2.667 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174546306 552106314 /nfs/dbraw/zinc/10/63/14/552106314.db2.gz DMMGJJUBFCKLBC-OAHLLOKOSA-N 2 2 385.339 2.644 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2occc2Br)([NH+]2CCCCC2)CC1 ZINC000177471837 552155480 /nfs/dbraw/zinc/15/54/80/552155480.db2.gz NXZXHPLEGXLSNL-UHFFFAOYSA-N 2 2 384.318 2.722 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033063 552243601 /nfs/dbraw/zinc/24/36/01/552243601.db2.gz QJTKCVKBQGSASP-ZFWWWQNUSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038494 552243831 /nfs/dbraw/zinc/24/38/31/552243831.db2.gz SKALNTXNICUAJJ-HIFRSBDPSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716601 553095561 /nfs/dbraw/zinc/09/55/61/553095561.db2.gz UFBRQZQEVNLOHS-UWWQBHOKSA-N 2 2 394.313 2.968 20 0 GFADLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716601 553095563 /nfs/dbraw/zinc/09/55/63/553095563.db2.gz UFBRQZQEVNLOHS-UWWQBHOKSA-N 2 2 394.313 2.968 20 0 GFADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000246096092 553102328 /nfs/dbraw/zinc/10/23/28/553102328.db2.gz LTGCFPIGOQHAPS-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000246096092 553102330 /nfs/dbraw/zinc/10/23/30/553102330.db2.gz LTGCFPIGOQHAPS-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@@H](C)O1 ZINC000564855980 564252820 /nfs/dbraw/zinc/25/28/20/564252820.db2.gz JHOZEQCCFRYCCN-BZPMIXESSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418679848 563222025 /nfs/dbraw/zinc/22/20/25/563222025.db2.gz BXSHZOCFGXNJHD-AWEZNQCLSA-N 2 2 387.355 2.991 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365854 563262998 /nfs/dbraw/zinc/26/29/98/563262998.db2.gz SUSKAWIFOWVZRV-QGZVFWFLSA-N 2 2 382.346 2.905 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280249485 563329347 /nfs/dbraw/zinc/32/93/47/563329347.db2.gz WLTVPMQHUGTBFD-JTQLQIEISA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510935 563360949 /nfs/dbraw/zinc/36/09/49/563360949.db2.gz SXLUGBQENQYSGL-XPTSAGLGSA-N 2 2 380.341 2.809 20 0 GFADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418002 563361291 /nfs/dbraw/zinc/36/12/91/563361291.db2.gz TYFMNMISHHAFMZ-IAQYHMDHSA-N 2 2 392.256 2.850 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482247 563361353 /nfs/dbraw/zinc/36/13/53/563361353.db2.gz RHJVCLSDZLUMTC-ZYHUDNBSSA-N 2 2 391.151 2.766 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482244 563361500 /nfs/dbraw/zinc/36/15/00/563361500.db2.gz RHJVCLSDZLUMTC-JQWIXIFHSA-N 2 2 391.151 2.766 20 0 GFADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418003 563361569 /nfs/dbraw/zinc/36/15/69/563361569.db2.gz TYFMNMISHHAFMZ-NHYWBVRUSA-N 2 2 392.256 2.850 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCn1cc[nH+]c1 ZINC000299563486 563386586 /nfs/dbraw/zinc/38/65/86/563386586.db2.gz AJIDIFSSAXXIHU-UHFFFAOYSA-N 2 2 379.302 2.626 20 0 GFADLP Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000376477855 563443825 /nfs/dbraw/zinc/44/38/25/563443825.db2.gz NFZCJTJRKCOYCR-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000376477855 563443828 /nfs/dbraw/zinc/44/38/28/563443828.db2.gz NFZCJTJRKCOYCR-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000321338475 563447815 /nfs/dbraw/zinc/44/78/15/563447815.db2.gz DDGOUTOCVBTQHF-UHFFFAOYSA-N 2 2 384.318 2.526 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377258975 563468720 /nfs/dbraw/zinc/46/87/20/563468720.db2.gz ULMCGHPKRVROBJ-QRTARXTBSA-N 2 2 378.318 2.712 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377258975 563468722 /nfs/dbraw/zinc/46/87/22/563468722.db2.gz ULMCGHPKRVROBJ-QRTARXTBSA-N 2 2 378.318 2.712 20 0 GFADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000430586932 563546129 /nfs/dbraw/zinc/54/61/29/563546129.db2.gz XQWXXLDLJLOWGD-CQSZACIVSA-N 2 2 398.345 2.914 20 0 GFADLP O[C@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431159480 563554888 /nfs/dbraw/zinc/55/48/88/563554888.db2.gz OWVKFOQQHYIEBA-MAUKXSAKSA-N 2 2 393.281 2.737 20 0 GFADLP O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431159480 563554891 /nfs/dbraw/zinc/55/48/91/563554891.db2.gz OWVKFOQQHYIEBA-MAUKXSAKSA-N 2 2 393.281 2.737 20 0 GFADLP Brc1cnn(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000287402387 563599947 /nfs/dbraw/zinc/59/99/47/563599947.db2.gz RAEDTJLCHMLMCW-UHFFFAOYSA-N 2 2 378.318 2.685 20 0 GFADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)s1 ZINC000436406248 563670049 /nfs/dbraw/zinc/67/00/49/563670049.db2.gz DJDOPTZIBINAGK-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP COCC(COC)[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000413482155 563693966 /nfs/dbraw/zinc/69/39/66/563693966.db2.gz XVJBYKDGVDREJS-UHFFFAOYSA-N 2 2 394.313 2.781 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000438829833 563711574 /nfs/dbraw/zinc/71/15/74/563711574.db2.gz RUDOHSZMFXOQAI-CPUCHLNUSA-N 2 2 394.313 2.783 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OC ZINC000415050445 563757629 /nfs/dbraw/zinc/75/76/29/563757629.db2.gz YTQQIGKAYXHSSC-AWEZNQCLSA-N 2 2 387.318 2.715 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367445259 563845069 /nfs/dbraw/zinc/84/50/69/563845069.db2.gz QSAINHZUZNHMRP-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367445259 563845071 /nfs/dbraw/zinc/84/50/71/563845071.db2.gz QSAINHZUZNHMRP-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3([NH+](C)C)CCC3)[nH+]c12 ZINC000445857404 563855106 /nfs/dbraw/zinc/85/51/06/563855106.db2.gz MQIQXPVPJWRVLG-UHFFFAOYSA-N 2 2 394.317 2.689 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000418017644 563895719 /nfs/dbraw/zinc/89/57/19/563895719.db2.gz HQDCSFIVLYYRLJ-CQSZACIVSA-N 2 2 394.317 2.737 20 0 GFADLP Cc1nn(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Br ZINC000448336026 563896623 /nfs/dbraw/zinc/89/66/23/563896623.db2.gz YSLXYFLTYXQIND-UHFFFAOYSA-N 2 2 385.350 2.568 20 0 GFADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305961 564185453 /nfs/dbraw/zinc/18/54/53/564185453.db2.gz HZPJHIHATQCBFQ-HSMVNMDESA-N 2 2 378.460 2.927 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449681886 564195551 /nfs/dbraw/zinc/19/55/51/564195551.db2.gz MSTVQVVYSSUKSF-GLJUWKHASA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449681886 564195555 /nfs/dbraw/zinc/19/55/55/564195555.db2.gz MSTVQVVYSSUKSF-GLJUWKHASA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449681890 564195887 /nfs/dbraw/zinc/19/58/87/564195887.db2.gz MSTVQVVYSSUKSF-SUNYJGFJSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449681890 564195890 /nfs/dbraw/zinc/19/58/90/564195890.db2.gz MSTVQVVYSSUKSF-SUNYJGFJSA-N 2 2 397.357 2.681 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201453 564213120 /nfs/dbraw/zinc/21/31/20/564213120.db2.gz BHCCVYTVHUSMKG-IAGOWNOFSA-N 2 2 380.330 2.830 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000539201453 564213123 /nfs/dbraw/zinc/21/31/23/564213123.db2.gz BHCCVYTVHUSMKG-IAGOWNOFSA-N 2 2 380.330 2.830 20 0 GFADLP Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)c[nH+]1 ZINC000564316604 564228433 /nfs/dbraw/zinc/22/84/33/564228433.db2.gz SBNPEWNOYJEXIC-UHFFFAOYSA-N 2 2 381.929 2.853 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565232890 564271898 /nfs/dbraw/zinc/27/18/98/564271898.db2.gz GFNTVTYQABORHT-LSDHHAIUSA-N 2 2 398.370 2.693 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565232890 564271899 /nfs/dbraw/zinc/27/18/99/564271899.db2.gz GFNTVTYQABORHT-LSDHHAIUSA-N 2 2 398.370 2.693 20 0 GFADLP O[C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C[NH+]1CCCC1 ZINC000474633494 564283962 /nfs/dbraw/zinc/28/39/62/564283962.db2.gz UJZZHDAMMNLIFV-LBPRGKRZSA-N 2 2 397.235 2.894 20 0 GFADLP Brc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230281 564318012 /nfs/dbraw/zinc/31/80/12/564318012.db2.gz YAPHHFYURYKYQR-IBGZPJMESA-N 2 2 394.357 2.861 20 0 GFADLP Brc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(N2CCOCC2)c1 ZINC000566230281 564318020 /nfs/dbraw/zinc/31/80/20/564318020.db2.gz YAPHHFYURYKYQR-IBGZPJMESA-N 2 2 394.357 2.861 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCSC1 ZINC000567682892 564383514 /nfs/dbraw/zinc/38/35/14/564383514.db2.gz BAZGSJZENGAYLA-MRXNPFEDSA-N 2 2 386.359 2.805 20 0 GFADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000568167158 564407401 /nfs/dbraw/zinc/40/74/01/564407401.db2.gz AQLQLILUCZYJFV-OAHLLOKOSA-N 2 2 380.279 2.644 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000568513746 564421854 /nfs/dbraw/zinc/42/18/54/564421854.db2.gz LTILDZMYNXJVCO-GOSISDBHSA-N 2 2 394.357 2.621 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479288623 564434562 /nfs/dbraw/zinc/43/45/62/564434562.db2.gz UJGFGBKHBFLPHQ-CRAIPNDOSA-N 2 2 396.373 2.912 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479288623 564434565 /nfs/dbraw/zinc/43/45/65/564434565.db2.gz UJGFGBKHBFLPHQ-CRAIPNDOSA-N 2 2 396.373 2.912 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549091 564545750 /nfs/dbraw/zinc/54/57/50/564545750.db2.gz CQXOFMBEFSOWDT-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549091 564545752 /nfs/dbraw/zinc/54/57/52/564545752.db2.gz CQXOFMBEFSOWDT-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629072 564547344 /nfs/dbraw/zinc/54/73/44/564547344.db2.gz MHGYLIBMQJXZSN-KCXAZCMYSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629072 564547348 /nfs/dbraw/zinc/54/73/48/564547348.db2.gz MHGYLIBMQJXZSN-KCXAZCMYSA-N 2 2 380.330 2.927 20 0 GFADLP CC(C)[NH2+]C1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455857808 564574692 /nfs/dbraw/zinc/57/46/92/564574692.db2.gz AORQXEBUBNFLKS-UHFFFAOYSA-N 2 2 384.322 2.904 20 0 GFADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1cc(F)cc(Br)c1 ZINC000519536004 564580064 /nfs/dbraw/zinc/58/00/64/564580064.db2.gz BNAADOXAVKYBBE-OAHLLOKOSA-N 2 2 398.276 2.651 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711907 564757115 /nfs/dbraw/zinc/75/71/15/564757115.db2.gz BUHCZDFAEFGAGQ-CYBMUJFWSA-N 2 2 399.358 2.837 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711907 564757117 /nfs/dbraw/zinc/75/71/17/564757117.db2.gz BUHCZDFAEFGAGQ-CYBMUJFWSA-N 2 2 399.358 2.837 20 0 GFADLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc(N(C)C)[nH+]1 ZINC000490078419 564762385 /nfs/dbraw/zinc/76/23/85/564762385.db2.gz HGPFUQNSILCSBR-UHFFFAOYSA-N 2 2 393.333 2.577 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)[nH+]c12 ZINC000581478118 564804468 /nfs/dbraw/zinc/80/44/68/564804468.db2.gz GACXSOKWSLRRGT-QGZVFWFLSA-N 2 2 394.317 2.594 20 0 GFADLP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000462354912 564835532 /nfs/dbraw/zinc/83/55/32/564835532.db2.gz GKQUHBSDZHSWCF-KRWDZBQOSA-N 2 2 380.330 2.937 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698280 564837427 /nfs/dbraw/zinc/83/74/27/564837427.db2.gz UXJBXHHUQPBMET-CXAGYDPISA-N 2 2 380.330 2.641 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698280 564837430 /nfs/dbraw/zinc/83/74/30/564837430.db2.gz UXJBXHHUQPBMET-CXAGYDPISA-N 2 2 380.330 2.641 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527443 564840075 /nfs/dbraw/zinc/84/00/75/564840075.db2.gz CNUATGHYNFRJDW-CQSZACIVSA-N 2 2 387.753 2.709 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527443 564840081 /nfs/dbraw/zinc/84/00/81/564840081.db2.gz CNUATGHYNFRJDW-CQSZACIVSA-N 2 2 387.753 2.709 20 0 GFADLP CCC[N@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561045832 564981817 /nfs/dbraw/zinc/98/18/17/564981817.db2.gz KPSCCWCUSUQSFY-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP CCC[N@@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561045832 564981820 /nfs/dbraw/zinc/98/18/20/564981820.db2.gz KPSCCWCUSUQSFY-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP OC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1cc(Br)ccc1F ZINC000657484752 565103614 /nfs/dbraw/zinc/10/36/14/565103614.db2.gz UFNGJJFNZIIQJQ-LBPRGKRZSA-N 2 2 382.277 2.672 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228732 565156088 /nfs/dbraw/zinc/15/60/88/565156088.db2.gz LRYYWFPDKIOEFH-GDBMZVCRSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228732 565156094 /nfs/dbraw/zinc/15/60/94/565156094.db2.gz LRYYWFPDKIOEFH-GDBMZVCRSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638611532 565205221 /nfs/dbraw/zinc/20/52/21/565205221.db2.gz HJUGBYHDNPFLRO-CQSZACIVSA-N 2 2 379.551 2.711 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647919 565222176 /nfs/dbraw/zinc/22/21/76/565222176.db2.gz YRXLLFNGECBHFW-WMLDXEAASA-N 2 2 397.361 2.835 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H]3CCCC(=O)N3)[nH+]c12 ZINC000639060573 565223191 /nfs/dbraw/zinc/22/31/91/565223191.db2.gz NLTXZULIICJDFH-UKRRQHHQSA-N 2 2 393.329 2.985 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639661290 565254263 /nfs/dbraw/zinc/25/42/63/565254263.db2.gz QOTGDVZLLWGOOL-MRXNPFEDSA-N 2 2 391.339 2.558 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128032 565255220 /nfs/dbraw/zinc/25/52/20/565255220.db2.gz HWXZJDMJRHRIKT-LLVKDONJSA-N 2 2 388.269 2.731 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128032 565255224 /nfs/dbraw/zinc/25/52/24/565255224.db2.gz HWXZJDMJRHRIKT-LLVKDONJSA-N 2 2 388.269 2.731 20 0 GFADLP Brc1ccc2[nH+]c(Cn3cc(C[NH2+]C4CCCC4)nn3)cn2c1 ZINC000640959016 565338670 /nfs/dbraw/zinc/33/86/70/565338670.db2.gz VIQWAZBLILVLLA-UHFFFAOYSA-N 2 2 375.274 2.769 20 0 GFADLP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000662277013 565357790 /nfs/dbraw/zinc/35/77/90/565357790.db2.gz CJPPLIUGVOACMO-SFHVURJKSA-N 2 2 388.309 2.753 20 0 GFADLP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000662277013 565357795 /nfs/dbraw/zinc/35/77/95/565357795.db2.gz CJPPLIUGVOACMO-SFHVURJKSA-N 2 2 388.309 2.753 20 0 GFADLP CC[C@@H]([NH2+]C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000662546492 565376012 /nfs/dbraw/zinc/37/60/12/565376012.db2.gz VAFJRJJGHKEXMH-MRXNPFEDSA-N 2 2 379.302 2.672 20 0 GFADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835627 565386766 /nfs/dbraw/zinc/38/67/66/565386766.db2.gz QLFNONQSHSMZPN-RYUDHWBXSA-N 2 2 384.343 2.861 20 0 GFADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835627 565386769 /nfs/dbraw/zinc/38/67/69/565386769.db2.gz QLFNONQSHSMZPN-RYUDHWBXSA-N 2 2 384.343 2.861 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205991 565424645 /nfs/dbraw/zinc/42/46/45/565424645.db2.gz RAWDXEJYTFXSPU-WMLDXEAASA-N 2 2 394.357 2.837 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205991 565424647 /nfs/dbraw/zinc/42/46/47/565424647.db2.gz RAWDXEJYTFXSPU-WMLDXEAASA-N 2 2 394.357 2.837 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643983231 565454175 /nfs/dbraw/zinc/45/41/75/565454175.db2.gz FLTNTZMCBHPGJX-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(Br)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643983231 565454183 /nfs/dbraw/zinc/45/41/83/565454183.db2.gz FLTNTZMCBHPGJX-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(Br)c2F)CC1 ZINC000667923591 565614099 /nfs/dbraw/zinc/61/40/99/565614099.db2.gz QNKQSWRBGGJXKU-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(F)cncc3Br)CC2)CC1 ZINC000667983233 565617339 /nfs/dbraw/zinc/61/73/39/565617339.db2.gz FKNVTKWJEPUPMJ-UHFFFAOYSA-N 2 2 399.352 2.833 20 0 GFADLP CN(Cc1c(F)cncc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161770 565629412 /nfs/dbraw/zinc/62/94/12/565629412.db2.gz DHVKKSAXLPLKQX-CQSZACIVSA-N 2 2 385.325 2.584 20 0 GFADLP CN(Cc1c(F)cncc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161770 565629416 /nfs/dbraw/zinc/62/94/16/565629416.db2.gz DHVKKSAXLPLKQX-CQSZACIVSA-N 2 2 385.325 2.584 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162087 565691963 /nfs/dbraw/zinc/69/19/63/565691963.db2.gz IGWCWZLECCLWAB-UGFHNGPFSA-N 2 2 375.822 2.585 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162087 565691966 /nfs/dbraw/zinc/69/19/66/565691966.db2.gz IGWCWZLECCLWAB-UGFHNGPFSA-N 2 2 375.822 2.585 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568449 565858892 /nfs/dbraw/zinc/85/88/92/565858892.db2.gz SNRDAUFXIVHUQY-LNSITVRQSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568449 565858894 /nfs/dbraw/zinc/85/88/94/565858894.db2.gz SNRDAUFXIVHUQY-LNSITVRQSA-N 2 2 377.838 2.976 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1OCO2 ZINC000603516893 565910604 /nfs/dbraw/zinc/91/06/04/565910604.db2.gz FKGPLGRHPSLIJE-OAHLLOKOSA-N 2 2 397.313 2.911 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCO2 ZINC000655699643 566082371 /nfs/dbraw/zinc/08/23/71/566082371.db2.gz HCAIMFNIMOIDBU-CQSZACIVSA-N 2 2 383.286 2.521 20 0 GFADLP Fc1cc2c(cc1Br)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000656259275 566118882 /nfs/dbraw/zinc/11/88/82/566118882.db2.gz CMMCYEFAKRSRMH-MLGOLLRUSA-N 2 2 385.277 2.865 20 0 GFADLP Cc1cccc2c(NC[C@@H](Cc3ccccc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410295 599122633 /nfs/dbraw/zinc/12/26/33/599122633.db2.gz QZXZOMYOLWUORS-QGZVFWFLSA-N 2 2 387.491 2.730 20 0 GFADLP C[N@H+](CCn1cnc(Br)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821390697 660324235 /nfs/dbraw/zinc/32/42/35/660324235.db2.gz DIWNIIBCTVMUME-UHFFFAOYSA-N 2 2 378.318 2.637 20 0 GFADLP C[N@@H+](CCn1cnc(Br)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821390697 660324238 /nfs/dbraw/zinc/32/42/38/660324238.db2.gz DIWNIIBCTVMUME-UHFFFAOYSA-N 2 2 378.318 2.637 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825559 660381067 /nfs/dbraw/zinc/38/10/67/660381067.db2.gz SVCDOZKQQMUJJY-GJZGRUSLSA-N 2 2 376.298 2.950 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825559 660381069 /nfs/dbraw/zinc/38/10/69/660381069.db2.gz SVCDOZKQQMUJJY-GJZGRUSLSA-N 2 2 376.298 2.950 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996878 655038302 /nfs/dbraw/zinc/03/83/02/655038302.db2.gz DIRQIIYWOLHFMP-MAZHCROVSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(I)cc1 ZINC000097996878 655038307 /nfs/dbraw/zinc/03/83/07/655038307.db2.gz DIRQIIYWOLHFMP-MAZHCROVSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000186588442 655370224 /nfs/dbraw/zinc/37/02/24/655370224.db2.gz UCXOMMURFSDYEU-QWHCGFSZSA-N 2 2 388.325 2.970 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283199 662279171 /nfs/dbraw/zinc/27/91/71/662279171.db2.gz CHJSMLQDAOHGML-BBRMVZONSA-N 2 2 379.517 2.658 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863575710 662336876 /nfs/dbraw/zinc/33/68/76/662336876.db2.gz RJESKJOCLUXSLV-GFCCVEGCSA-N 2 2 380.842 2.683 20 0 GFADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865003281 662394473 /nfs/dbraw/zinc/39/44/73/662394473.db2.gz NUHBCMRSZQSYOQ-MRXNPFEDSA-N 2 2 385.295 2.730 20 0 GFADLP C[NH+](C)C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447297 662647154 /nfs/dbraw/zinc/64/71/54/662647154.db2.gz MVEDIKRVGGSPNN-LIMHQNJXSA-N 2 2 386.323 2.601 20 0 GFADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000876955725 662868615 /nfs/dbraw/zinc/86/86/15/662868615.db2.gz BLJXDYSLBOCEIY-CQSZACIVSA-N 2 2 377.290 2.893 20 0 GFADLP C[NH+]1CCC2(CC1)CC[NH+]([C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000879249895 662921703 /nfs/dbraw/zinc/92/17/03/662921703.db2.gz FDWMNNLWTJTHEY-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP Brc1ccccc1CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000883430259 663055065 /nfs/dbraw/zinc/05/50/65/663055065.db2.gz QVOWHOPPRPGPFF-UHFFFAOYSA-N 2 2 390.329 2.566 20 0 GFADLP CC(C)([NH3+])CCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000892850149 663386739 /nfs/dbraw/zinc/38/67/39/663386739.db2.gz ROUUYLXQFLTBJB-UHFFFAOYSA-N 2 2 398.305 2.578 20 0 GFADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776545 664674576 /nfs/dbraw/zinc/67/45/76/664674576.db2.gz LIEFZBMAMXNQSV-TZMCWYRMSA-N 2 2 395.903 2.534 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC1 ZINC000926177755 664684062 /nfs/dbraw/zinc/68/40/62/664684062.db2.gz AOEKGXCFRAZHMJ-UHFFFAOYSA-N 2 2 380.798 2.783 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3COC[C@H]3O2)o1 ZINC000930447458 664770682 /nfs/dbraw/zinc/77/06/82/664770682.db2.gz YOJGITSLTHOPEU-CWRNSKLLSA-N 2 2 396.285 2.545 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3COC[C@H]3O2)o1 ZINC000930447458 664770684 /nfs/dbraw/zinc/77/06/84/664770684.db2.gz YOJGITSLTHOPEU-CWRNSKLLSA-N 2 2 396.285 2.545 20 0 GFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc(C)c3NC(C)=O)CC2)CC1 ZINC001164617800 719030784 /nfs/dbraw/zinc/03/07/84/719030784.db2.gz PAZLIKSBJZEKSY-UHFFFAOYSA-N 2 2 388.512 2.592 20 0 GFADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4c(n2)CC[NH2+]C4)CC3)cc1 ZINC001164672144 719496998 /nfs/dbraw/zinc/49/69/98/719496998.db2.gz FSBXALVTOVRUMT-UHFFFAOYSA-N 2 2 396.510 2.738 20 0 GFADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4c(n2)CC[NH2+]C4)CC3)cc1 ZINC001164672144 719497006 /nfs/dbraw/zinc/49/70/06/719497006.db2.gz FSBXALVTOVRUMT-UHFFFAOYSA-N 2 2 396.510 2.738 20 0 GFADLP Cn1nnc2c1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717865 720205622 /nfs/dbraw/zinc/20/56/22/720205622.db2.gz JUHRSMHQINVJCF-LJQANCHMSA-N 2 2 398.555 2.724 20 0 GFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4[nH+]cc(C)cc4C)CC3)C2=O)cs1 ZINC001164819472 720370093 /nfs/dbraw/zinc/37/00/93/720370093.db2.gz FEOGSKUPAYJMDS-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4[nH+]cc(C)cc4C)CC3)C2=O)cs1 ZINC001164819472 720370100 /nfs/dbraw/zinc/37/01/00/720370100.db2.gz FEOGSKUPAYJMDS-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858634 720888756 /nfs/dbraw/zinc/88/87/56/720888756.db2.gz LMRGTDRQRPHBCQ-OXJNMPFZSA-N 2 2 389.471 2.556 20 0 GFADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858634 720888757 /nfs/dbraw/zinc/88/87/57/720888757.db2.gz LMRGTDRQRPHBCQ-OXJNMPFZSA-N 2 2 389.471 2.556 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164808811 721567079 /nfs/dbraw/zinc/56/70/79/721567079.db2.gz VSCTZYSBFGCLEP-IPJJNNNSSA-N 2 2 396.539 2.586 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164808811 721567083 /nfs/dbraw/zinc/56/70/83/721567083.db2.gz VSCTZYSBFGCLEP-IPJJNNNSSA-N 2 2 396.539 2.586 20 0 GFADLP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389848 563531900 /nfs/dbraw/zinc/53/19/00/563531900.db2.gz XGOSTEHBBPVNRX-HZSPNIEDSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000397389848 563531902 /nfs/dbraw/zinc/53/19/02/563531902.db2.gz XGOSTEHBBPVNRX-HZSPNIEDSA-N 2 2 389.359 2.528 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000126470567 551330317 /nfs/dbraw/zinc/33/03/17/551330317.db2.gz WOIDCDHMLOUAEQ-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000126470567 551330320 /nfs/dbraw/zinc/33/03/20/551330320.db2.gz WOIDCDHMLOUAEQ-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000126470567 551330322 /nfs/dbraw/zinc/33/03/22/551330322.db2.gz WOIDCDHMLOUAEQ-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000126470567 551330324 /nfs/dbraw/zinc/33/03/24/551330324.db2.gz WOIDCDHMLOUAEQ-UHFFFAOYSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129414328 551357608 /nfs/dbraw/zinc/35/76/08/551357608.db2.gz GQYFWUDASYEBQS-KCXAZCMYSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129414328 551357609 /nfs/dbraw/zinc/35/76/09/551357609.db2.gz GQYFWUDASYEBQS-KCXAZCMYSA-N 2 2 377.286 2.755 20 0 GFADLP COC1CC[NH+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000163630388 551621302 /nfs/dbraw/zinc/62/13/02/551621302.db2.gz NPALAOJUOMDUOR-AWEZNQCLSA-N 2 2 398.345 2.867 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(Br)c3)CC2)CC1 ZINC000172929630 551690369 /nfs/dbraw/zinc/69/03/69/551690369.db2.gz TZKGDTODZVICDN-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183188161 552302610 /nfs/dbraw/zinc/30/26/10/552302610.db2.gz WKWWBDBOJZHVCF-UHFFFAOYSA-N 2 2 392.301 2.781 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000184541158 552338006 /nfs/dbraw/zinc/33/80/06/552338006.db2.gz FXLQLYJQHNQQKX-UHFFFAOYSA-N 2 2 381.261 2.763 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000184541158 552338008 /nfs/dbraw/zinc/33/80/08/552338008.db2.gz FXLQLYJQHNQQKX-UHFFFAOYSA-N 2 2 381.261 2.763 20 0 GFADLP Cc1ccc(Br)cc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190995301 552515650 /nfs/dbraw/zinc/51/56/50/552515650.db2.gz DVORUHITZFNTGT-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP Cc1c[nH+]ccc1N1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000192695410 552971659 /nfs/dbraw/zinc/97/16/59/552971659.db2.gz DPRRSDYRYNFKSF-UHFFFAOYSA-N 2 2 389.297 2.913 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000261995893 553163963 /nfs/dbraw/zinc/16/39/63/553163963.db2.gz KTYQAKGDSXGIHM-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941852 553162671 /nfs/dbraw/zinc/16/26/71/553162671.db2.gz MVVQREALCOHCFQ-OAHLLOKOSA-N 2 2 382.346 2.717 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941852 553162672 /nfs/dbraw/zinc/16/26/72/553162672.db2.gz MVVQREALCOHCFQ-OAHLLOKOSA-N 2 2 382.346 2.717 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1Cl ZINC000261995893 553163964 /nfs/dbraw/zinc/16/39/64/553163964.db2.gz KTYQAKGDSXGIHM-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000263653325 553190471 /nfs/dbraw/zinc/19/04/71/553190471.db2.gz DTHCVYBILCCBKN-HNNXBMFYSA-N 2 2 375.485 2.768 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000263653325 553190472 /nfs/dbraw/zinc/19/04/72/553190472.db2.gz DTHCVYBILCCBKN-HNNXBMFYSA-N 2 2 375.485 2.768 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(I)cc1 ZINC000453260781 564450889 /nfs/dbraw/zinc/45/08/89/564450889.db2.gz RLYUCAWMENDQFX-CJNGLKHVSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(I)cc1 ZINC000453260781 564450894 /nfs/dbraw/zinc/45/08/94/564450894.db2.gz RLYUCAWMENDQFX-CJNGLKHVSA-N 2 2 388.293 2.789 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418495313 563218811 /nfs/dbraw/zinc/21/88/11/563218811.db2.gz UEDGWTVZDUCWMM-PBHICJAKSA-N 2 2 397.361 2.822 20 0 GFADLP [NH3+]C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000420361225 563262831 /nfs/dbraw/zinc/26/28/31/563262831.db2.gz MXWFWWMJVHRBJQ-INIZCTEOSA-N 2 2 389.359 2.720 20 0 GFADLP C[N@H+](CCOCC(F)(F)F)[C@H]1CCC[NH+](CCOCC(F)(F)F)CC1 ZINC000371096585 563265103 /nfs/dbraw/zinc/26/51/03/563265103.db2.gz AOVDQFKXRCCUMJ-ZDUSSCGKSA-N 2 2 380.373 2.931 20 0 GFADLP C[N@@H+](CCOCC(F)(F)F)[C@H]1CCC[NH+](CCOCC(F)(F)F)CC1 ZINC000371096585 563265105 /nfs/dbraw/zinc/26/51/05/563265105.db2.gz AOVDQFKXRCCUMJ-ZDUSSCGKSA-N 2 2 380.373 2.931 20 0 GFADLP C[NH+](CCOCC(F)(F)F)[C@H]1CCC[N@H+](CCOCC(F)(F)F)CC1 ZINC000371096585 563265106 /nfs/dbraw/zinc/26/51/06/563265106.db2.gz AOVDQFKXRCCUMJ-ZDUSSCGKSA-N 2 2 380.373 2.931 20 0 GFADLP C[NH+](CCOCC(F)(F)F)[C@H]1CCC[N@@H+](CCOCC(F)(F)F)CC1 ZINC000371096585 563265108 /nfs/dbraw/zinc/26/51/08/563265108.db2.gz AOVDQFKXRCCUMJ-ZDUSSCGKSA-N 2 2 380.373 2.931 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375552 563377546 /nfs/dbraw/zinc/37/75/46/563377546.db2.gz KJFPFWNHOPFMSC-YGRLFVJLSA-N 2 2 394.684 2.801 20 0 GFADLP CC[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422987036 563352417 /nfs/dbraw/zinc/35/24/17/563352417.db2.gz DYALVJVUGUWWHQ-IRXDYDNUSA-N 2 2 382.346 2.906 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256359 563366018 /nfs/dbraw/zinc/36/60/18/563366018.db2.gz VRNDVXRRMRGZAC-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(F)cc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256359 563366021 /nfs/dbraw/zinc/36/60/21/563366021.db2.gz VRNDVXRRMRGZAC-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375547 563377228 /nfs/dbraw/zinc/37/72/28/563377228.db2.gz KJFPFWNHOPFMSC-HZMBPMFUSA-N 2 2 394.684 2.801 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)nc3Cl)CC2)CC1 ZINC000374930985 563386743 /nfs/dbraw/zinc/38/67/43/563386743.db2.gz PNGHKNSKUURFCL-UHFFFAOYSA-N 2 2 385.339 2.765 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3ccc(Br)cc32)CC1 ZINC000301529272 563405701 /nfs/dbraw/zinc/40/57/01/563405701.db2.gz KKMSZZIDKKSGNE-UHFFFAOYSA-N 2 2 378.318 2.830 20 0 GFADLP CCn1c(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)nc2cc(Br)ccc21 ZINC000425348534 563418891 /nfs/dbraw/zinc/41/88/91/563418891.db2.gz YYHXJOVQAQQOLW-UHFFFAOYSA-N 2 2 391.317 2.908 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283659449 563450588 /nfs/dbraw/zinc/45/05/88/563450588.db2.gz REQLRNGIOSCUNO-UHFFFAOYSA-N 2 2 379.452 2.652 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000283659449 563450591 /nfs/dbraw/zinc/45/05/91/563450591.db2.gz REQLRNGIOSCUNO-UHFFFAOYSA-N 2 2 379.452 2.652 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000377345845 563471609 /nfs/dbraw/zinc/47/16/09/563471609.db2.gz NEXRGCJKMHTIOE-CQSZACIVSA-N 2 2 379.551 2.711 20 0 GFADLP CN(C(=O)c1sccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637256 563481455 /nfs/dbraw/zinc/48/14/55/563481455.db2.gz PQDJWLMPUQVEEQ-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1sccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637256 563481459 /nfs/dbraw/zinc/48/14/59/563481459.db2.gz PQDJWLMPUQVEEQ-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353450 563537142 /nfs/dbraw/zinc/53/71/42/563537142.db2.gz KJADVHVGWLAKPC-BBRMVZONSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000404353450 563537144 /nfs/dbraw/zinc/53/71/44/563537144.db2.gz KJADVHVGWLAKPC-BBRMVZONSA-N 2 2 389.359 2.672 20 0 GFADLP [NH3+]CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000430713223 563548253 /nfs/dbraw/zinc/54/82/53/563548253.db2.gz GJRUHJIFWUCLDG-UHFFFAOYSA-N 2 2 394.338 2.781 20 0 GFADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000431056449 563552089 /nfs/dbraw/zinc/55/20/89/563552089.db2.gz CRSMBRMENJXGIS-GLQYFDAESA-N 2 2 377.286 2.634 20 0 GFADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ncc(Br)cn1 ZINC000431132585 563554355 /nfs/dbraw/zinc/55/43/55/563554355.db2.gz MUBCELZRUURTEB-JTQLQIEISA-N 2 2 397.240 2.936 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331983856 563569637 /nfs/dbraw/zinc/56/96/37/563569637.db2.gz YKDLRJKFFOPALE-GFCCVEGCSA-N 2 2 382.295 2.876 20 0 GFADLP Nc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000411716339 563631179 /nfs/dbraw/zinc/63/11/79/563631179.db2.gz DYNXPAHDSKIAAM-UHFFFAOYSA-N 2 2 376.258 2.918 20 0 GFADLP Nc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000411716339 563631182 /nfs/dbraw/zinc/63/11/82/563631182.db2.gz DYNXPAHDSKIAAM-UHFFFAOYSA-N 2 2 376.258 2.918 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1cncc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423525 563649782 /nfs/dbraw/zinc/64/97/82/563649782.db2.gz URGWRDDBUNSCSX-INIZCTEOSA-N 2 2 390.329 2.722 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000439428431 563723787 /nfs/dbraw/zinc/72/37/87/563723787.db2.gz FZILYYFBLNNZEX-HNNXBMFYSA-N 2 2 398.276 2.931 20 0 GFADLP CCOc1c(Br)cc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1OC ZINC000414946837 563755329 /nfs/dbraw/zinc/75/53/29/563755329.db2.gz TYHXOPVELAOCQI-KRWDZBQOSA-N 2 2 387.318 2.715 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992743 563756207 /nfs/dbraw/zinc/75/62/07/563756207.db2.gz CALHSQUVVKUTEF-DZGCQCFKSA-N 2 2 381.293 2.805 20 0 GFADLP COc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(I)c1OC ZINC000415067937 563758094 /nfs/dbraw/zinc/75/80/94/563758094.db2.gz LSBFSFWOPAWOOT-LBPRGKRZSA-N 2 2 390.265 2.540 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135259 563760445 /nfs/dbraw/zinc/76/04/45/563760445.db2.gz FUPCVZGXAZESHX-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135259 563760448 /nfs/dbraw/zinc/76/04/48/563760448.db2.gz FUPCVZGXAZESHX-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367684085 563852319 /nfs/dbraw/zinc/85/23/19/563852319.db2.gz GYAQHZVFLZFTLR-INIZCTEOSA-N 2 2 379.551 2.685 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000369094021 563886960 /nfs/dbraw/zinc/88/69/60/563886960.db2.gz YUMUJFBGSULEFZ-INIZCTEOSA-N 2 2 392.345 2.888 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Br ZINC000369094021 563886962 /nfs/dbraw/zinc/88/69/62/563886962.db2.gz YUMUJFBGSULEFZ-INIZCTEOSA-N 2 2 392.345 2.888 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275441 563891326 /nfs/dbraw/zinc/89/13/26/563891326.db2.gz XPKFOVBZMNIOJY-ZDUSSCGKSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369275441 563891328 /nfs/dbraw/zinc/89/13/28/563891328.db2.gz XPKFOVBZMNIOJY-ZDUSSCGKSA-N 2 2 386.323 2.657 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[C@H]([NH3+])C3)[nH+]c12 ZINC000418021124 563895676 /nfs/dbraw/zinc/89/56/76/563895676.db2.gz OYHZTHLIIDMUGU-KBPBESRZSA-N 2 2 394.317 2.517 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358128 564187357 /nfs/dbraw/zinc/18/73/57/564187357.db2.gz YRELYZVJJAPPNL-HZPDHXFCSA-N 2 2 377.298 2.568 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358128 564187359 /nfs/dbraw/zinc/18/73/59/564187359.db2.gz YRELYZVJJAPPNL-HZPDHXFCSA-N 2 2 377.298 2.568 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449681210 564195307 /nfs/dbraw/zinc/19/53/07/564195307.db2.gz IMNHLRIRKFBWOL-RFUYNDQBSA-N 2 2 381.358 2.981 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449681210 564195313 /nfs/dbraw/zinc/19/53/13/564195313.db2.gz IMNHLRIRKFBWOL-RFUYNDQBSA-N 2 2 381.358 2.981 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000472620182 564229729 /nfs/dbraw/zinc/22/97/29/564229729.db2.gz UZMAGCZVZQMHIM-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852584 564252889 /nfs/dbraw/zinc/25/28/89/564252889.db2.gz NGGSCQDPHNSLFL-HOCLYGCPSA-N 2 2 394.313 2.861 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000541841677 564291582 /nfs/dbraw/zinc/29/15/82/564291582.db2.gz ANPHVMYAISTPBH-OCCSQVGLSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000541841677 564291583 /nfs/dbraw/zinc/29/15/83/564291583.db2.gz ANPHVMYAISTPBH-OCCSQVGLSA-N 2 2 394.317 2.687 20 0 GFADLP [NH3+]CC1(CC(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)CC1 ZINC000565713961 564292748 /nfs/dbraw/zinc/29/27/48/564292748.db2.gz CKBPEZOWJHJRAH-UHFFFAOYSA-N 2 2 391.313 2.803 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@@H](C)O1 ZINC000565887373 564300803 /nfs/dbraw/zinc/30/08/03/564300803.db2.gz MRQIHFDYBXYXDG-JMSVASOKSA-N 2 2 391.737 2.662 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446071 564440789 /nfs/dbraw/zinc/44/07/89/564440789.db2.gz NKDUXRKQKOGYCX-RDJZCZTQSA-N 2 2 388.599 2.768 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@@H](C)C1 ZINC000479446071 564440790 /nfs/dbraw/zinc/44/07/90/564440790.db2.gz NKDUXRKQKOGYCX-RDJZCZTQSA-N 2 2 388.599 2.768 20 0 GFADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546122133 564445476 /nfs/dbraw/zinc/44/54/76/564445476.db2.gz VKWNIVBKNWHMTQ-MRXNPFEDSA-N 2 2 393.329 2.938 20 0 GFADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546122133 564445479 /nfs/dbraw/zinc/44/54/79/564445479.db2.gz VKWNIVBKNWHMTQ-MRXNPFEDSA-N 2 2 393.329 2.938 20 0 GFADLP C[C@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000453313828 564453274 /nfs/dbraw/zinc/45/32/74/564453274.db2.gz XEFFYWGWAJAJLV-ZDUSSCGKSA-N 2 2 381.318 2.974 20 0 GFADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000515650016 564484619 /nfs/dbraw/zinc/48/46/19/564484619.db2.gz ZWUBQBTZNZSEKG-MJEQTWJJSA-N 2 2 396.329 2.604 20 0 GFADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000515644692 564484756 /nfs/dbraw/zinc/48/47/56/564484756.db2.gz HBRNUPSZLSAUPK-OLZOCXBDSA-N 2 2 398.305 2.576 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547979824 564526586 /nfs/dbraw/zinc/52/65/86/564526586.db2.gz QBVMGGIEYZVVAV-DOMZBBRYSA-N 2 2 377.286 2.967 20 0 GFADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)COc1cc(F)cc(Br)c1 ZINC000571315485 564545821 /nfs/dbraw/zinc/54/58/21/564545821.db2.gz IMSXYVRQFVLHGD-OAHLLOKOSA-N 2 2 386.265 2.594 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483361643 564565563 /nfs/dbraw/zinc/56/55/63/564565563.db2.gz YZFQDFCICCRZHX-UHFFFAOYSA-N 2 2 375.274 2.748 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483361643 564565570 /nfs/dbraw/zinc/56/55/70/564565570.db2.gz YZFQDFCICCRZHX-UHFFFAOYSA-N 2 2 375.274 2.748 20 0 GFADLP CS[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407850 564567034 /nfs/dbraw/zinc/56/70/34/564567034.db2.gz RYYXWFMPMNYMGJ-KZNAEPCWSA-N 2 2 381.973 2.981 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000571805890 564567614 /nfs/dbraw/zinc/56/76/14/564567614.db2.gz JCPRMDQIEVQDLJ-UHFFFAOYSA-N 2 2 375.460 2.753 20 0 GFADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000573438006 564637247 /nfs/dbraw/zinc/63/72/47/564637247.db2.gz VAWKUOWSXWRXOT-HNNXBMFYSA-N 2 2 394.292 2.950 20 0 GFADLP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552022401 564673617 /nfs/dbraw/zinc/67/36/17/564673617.db2.gz PTSXTPGBZSLVKM-XYPWUTKMSA-N 2 2 391.313 2.514 20 0 GFADLP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552022401 564673620 /nfs/dbraw/zinc/67/36/20/564673620.db2.gz PTSXTPGBZSLVKM-XYPWUTKMSA-N 2 2 391.313 2.514 20 0 GFADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552022401 564673625 /nfs/dbraw/zinc/67/36/25/564673625.db2.gz PTSXTPGBZSLVKM-XYPWUTKMSA-N 2 2 391.313 2.514 20 0 GFADLP C[NH+](Cc1cc(=O)n2cc(Br)ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000552022401 564673629 /nfs/dbraw/zinc/67/36/29/564673629.db2.gz PTSXTPGBZSLVKM-XYPWUTKMSA-N 2 2 391.313 2.514 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000576227726 564708349 /nfs/dbraw/zinc/70/83/49/564708349.db2.gz CEJXUAXOZQFRLZ-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000576227726 564708353 /nfs/dbraw/zinc/70/83/53/564708353.db2.gz CEJXUAXOZQFRLZ-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063089 564740001 /nfs/dbraw/zinc/74/00/01/564740001.db2.gz ZHLHOWXDMBCDBP-XFBWCDHKSA-N 2 2 382.892 2.745 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063089 564740006 /nfs/dbraw/zinc/74/00/06/564740006.db2.gz ZHLHOWXDMBCDBP-XFBWCDHKSA-N 2 2 382.892 2.745 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063088 564740061 /nfs/dbraw/zinc/74/00/61/564740061.db2.gz ZHLHOWXDMBCDBP-RLCCDNCMSA-N 2 2 382.892 2.745 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578063088 564740064 /nfs/dbraw/zinc/74/00/64/564740064.db2.gz ZHLHOWXDMBCDBP-RLCCDNCMSA-N 2 2 382.892 2.745 20 0 GFADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ncc(Br)cc2F)ccn1 ZINC000527689387 564755521 /nfs/dbraw/zinc/75/55/21/564755521.db2.gz YMMFAXCMPZKNFR-UHFFFAOYSA-N 2 2 383.265 2.608 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000580543680 564763003 /nfs/dbraw/zinc/76/30/03/564763003.db2.gz NOXAYLWJBVWCKV-ONIAQPFYSA-N 2 2 399.373 2.830 20 0 GFADLP COc1ccc(Br)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000581623378 564810744 /nfs/dbraw/zinc/81/07/44/564810744.db2.gz HLTLUDWGTIRRCU-UHFFFAOYSA-N 2 2 398.345 2.540 20 0 GFADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220066 564873175 /nfs/dbraw/zinc/87/31/75/564873175.db2.gz IGJAAGPHRAAUOG-LBPRGKRZSA-N 2 2 375.257 2.915 20 0 GFADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220066 564873176 /nfs/dbraw/zinc/87/31/76/564873176.db2.gz IGJAAGPHRAAUOG-LBPRGKRZSA-N 2 2 375.257 2.915 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583439629 564891345 /nfs/dbraw/zinc/89/13/45/564891345.db2.gz DCFLHVPCILNQOD-SQNIBIBYSA-N 2 2 392.341 2.939 20 0 GFADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533563539 564965738 /nfs/dbraw/zinc/96/57/38/564965738.db2.gz PTKZVMACHOVIGL-INIZCTEOSA-N 2 2 384.343 2.975 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467743429 564971257 /nfs/dbraw/zinc/97/12/57/564971257.db2.gz PJGCDLIICSMBGQ-LLVKDONJSA-N 2 2 378.464 2.755 20 0 GFADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(Br)cn1 ZINC000536368454 565036056 /nfs/dbraw/zinc/03/60/56/565036056.db2.gz JEHWXFZLNKYDLO-UHFFFAOYSA-N 2 2 390.285 2.754 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790982 565042946 /nfs/dbraw/zinc/04/29/46/565042946.db2.gz CCRGCMBNXJHVIL-IAGOWNOFSA-N 2 2 395.345 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790982 565042948 /nfs/dbraw/zinc/04/29/48/565042948.db2.gz CCRGCMBNXJHVIL-IAGOWNOFSA-N 2 2 395.345 2.575 20 0 GFADLP CC(C)C[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)C(=O)NCC[NH+](C)C ZINC000537443793 565058522 /nfs/dbraw/zinc/05/85/22/565058522.db2.gz DDGOUMKCIOYUHF-RYUDHWBXSA-N 2 2 391.379 2.649 20 0 GFADLP CS(=O)(=O)Nc1cccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC000589641486 565168521 /nfs/dbraw/zinc/16/85/21/565168521.db2.gz PQMHSAJRGDSCEE-UHFFFAOYSA-N 2 2 383.583 2.509 20 0 GFADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134956 565186554 /nfs/dbraw/zinc/18/65/54/565186554.db2.gz QRVYOUYXYXZATG-CQSZACIVSA-N 2 2 378.318 2.656 20 0 GFADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134956 565186556 /nfs/dbraw/zinc/18/65/56/565186556.db2.gz QRVYOUYXYXZATG-CQSZACIVSA-N 2 2 378.318 2.656 20 0 GFADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134956 565186558 /nfs/dbraw/zinc/18/65/58/565186558.db2.gz QRVYOUYXYXZATG-CQSZACIVSA-N 2 2 378.318 2.656 20 0 GFADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134956 565186560 /nfs/dbraw/zinc/18/65/60/565186560.db2.gz QRVYOUYXYXZATG-CQSZACIVSA-N 2 2 378.318 2.656 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC3([NH3+])CCCC3)[nH+]c12 ZINC000659482419 565217659 /nfs/dbraw/zinc/21/76/59/565217659.db2.gz RFHIXVFUZDXOSV-UHFFFAOYSA-N 2 2 394.317 2.518 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1c(F)cccc1Br ZINC000638988079 565219917 /nfs/dbraw/zinc/21/99/17/565219917.db2.gz RTVDWFGCDDVCFU-UHFFFAOYSA-N 2 2 379.233 2.645 20 0 GFADLP C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763520 565257436 /nfs/dbraw/zinc/25/74/36/565257436.db2.gz SZXGHCZWHVRHGK-ZDUSSCGKSA-N 2 2 376.328 2.760 20 0 GFADLP C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763520 565257439 /nfs/dbraw/zinc/25/74/39/565257439.db2.gz SZXGHCZWHVRHGK-ZDUSSCGKSA-N 2 2 376.328 2.760 20 0 GFADLP C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765561 565258470 /nfs/dbraw/zinc/25/84/70/565258470.db2.gz GQFCHAWHWKFPCE-OAHLLOKOSA-N 2 2 384.362 2.942 20 0 GFADLP C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765561 565258476 /nfs/dbraw/zinc/25/84/76/565258476.db2.gz GQFCHAWHWKFPCE-OAHLLOKOSA-N 2 2 384.362 2.942 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1Br ZINC000617765951 565258582 /nfs/dbraw/zinc/25/85/82/565258582.db2.gz XFKIONPTXNFPGX-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1Br ZINC000617765951 565258585 /nfs/dbraw/zinc/25/85/85/565258585.db2.gz XFKIONPTXNFPGX-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000617766803 565258606 /nfs/dbraw/zinc/25/86/06/565258606.db2.gz VOHNANQGRISLBK-UHFFFAOYSA-N 2 2 382.961 2.882 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000617766803 565258609 /nfs/dbraw/zinc/25/86/09/565258609.db2.gz VOHNANQGRISLBK-UHFFFAOYSA-N 2 2 382.961 2.882 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662281231 565357831 /nfs/dbraw/zinc/35/78/31/565357831.db2.gz KPJWJEBJOUIQOS-HZPDHXFCSA-N 2 2 384.318 2.571 20 0 GFADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1Br ZINC000662356342 565361941 /nfs/dbraw/zinc/36/19/41/565361941.db2.gz REMRVQBKWHQNMS-INIZCTEOSA-N 2 2 394.338 2.855 20 0 GFADLP C[NH2+][C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367775 565363264 /nfs/dbraw/zinc/36/32/64/565363264.db2.gz GLKFNYFDMYMUJC-AHIWAGSCSA-N 2 2 388.339 2.869 20 0 GFADLP C[NH2+][C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367775 565363266 /nfs/dbraw/zinc/36/32/66/565363266.db2.gz GLKFNYFDMYMUJC-AHIWAGSCSA-N 2 2 388.339 2.869 20 0 GFADLP C[NH2+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000662667125 565381273 /nfs/dbraw/zinc/38/12/73/565381273.db2.gz YATVACXQCKXBNH-GUYCJALGSA-N 2 2 386.323 2.577 20 0 GFADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662692416 565382070 /nfs/dbraw/zinc/38/20/70/565382070.db2.gz DSRDISMEFXJEOD-UHFFFAOYSA-N 2 2 392.322 2.859 20 0 GFADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835625 565386872 /nfs/dbraw/zinc/38/68/72/565386872.db2.gz QLFNONQSHSMZPN-NEPJUHHUSA-N 2 2 384.343 2.861 20 0 GFADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835625 565386877 /nfs/dbraw/zinc/38/68/77/565386877.db2.gz QLFNONQSHSMZPN-NEPJUHHUSA-N 2 2 384.343 2.861 20 0 GFADLP Cc1nc(NCc2cccnc2N2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663440584 565421086 /nfs/dbraw/zinc/42/10/86/565421086.db2.gz IFMISCPOUFAWHE-UHFFFAOYSA-N 2 2 391.317 2.615 20 0 GFADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000665281520 565494439 /nfs/dbraw/zinc/49/44/39/565494439.db2.gz FSDLEWKXMHMCNT-KGLIPLIRSA-N 2 2 375.332 2.631 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624134450 565543536 /nfs/dbraw/zinc/54/35/36/565543536.db2.gz VGXALYKRIBYENA-INIZCTEOSA-N 2 2 384.318 2.586 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000666843287 565560156 /nfs/dbraw/zinc/56/01/56/565560156.db2.gz CLYZJJINTNVCIJ-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Br)c(F)cc1F ZINC000666843287 565560160 /nfs/dbraw/zinc/56/01/60/565560160.db2.gz CLYZJJINTNVCIJ-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639637 565658594 /nfs/dbraw/zinc/65/85/94/565658594.db2.gz KARLTMZRRZASIX-MRXNPFEDSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639637 565658596 /nfs/dbraw/zinc/65/85/96/565658596.db2.gz KARLTMZRRZASIX-MRXNPFEDSA-N 2 2 394.357 2.964 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000647942353 565685008 /nfs/dbraw/zinc/68/50/08/565685008.db2.gz BJMLDTXYODDDNP-CQSZACIVSA-N 2 2 375.847 2.761 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000647942353 565685013 /nfs/dbraw/zinc/68/50/13/565685013.db2.gz BJMLDTXYODDDNP-CQSZACIVSA-N 2 2 375.847 2.761 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000648071854 565690442 /nfs/dbraw/zinc/69/04/42/565690442.db2.gz XJRISBXUWKDSLZ-UHFFFAOYSA-N 2 2 397.313 2.517 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Br)c3c(c1)OCCO3)CCO2 ZINC000648071854 565690448 /nfs/dbraw/zinc/69/04/48/565690448.db2.gz XJRISBXUWKDSLZ-UHFFFAOYSA-N 2 2 397.313 2.517 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316181 565702703 /nfs/dbraw/zinc/70/27/03/565702703.db2.gz MKFSPGCLILLOEC-KRWDZBQOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316181 565702706 /nfs/dbraw/zinc/70/27/06/565702706.db2.gz MKFSPGCLILLOEC-KRWDZBQOSA-N 2 2 394.357 2.585 20 0 GFADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886946 565920119 /nfs/dbraw/zinc/92/01/19/565920119.db2.gz PYLJYENOPBYASQ-QAPCUYQASA-N 2 2 381.973 2.873 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000653090514 565955117 /nfs/dbraw/zinc/95/51/17/565955117.db2.gz RNQJUMLKHBONQK-VIFPVBQESA-N 2 2 389.344 2.852 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000653729190 565980760 /nfs/dbraw/zinc/98/07/60/565980760.db2.gz ZOGXNXYMLJXNGM-AWEZNQCLSA-N 2 2 391.339 2.558 20 0 GFADLP C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+]1CC(C)C1 ZINC000655149137 566042177 /nfs/dbraw/zinc/04/21/77/566042177.db2.gz GGKMIJIAVVNCNG-HNNXBMFYSA-N 2 2 394.357 2.870 20 0 GFADLP O=C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000655701041 566083143 /nfs/dbraw/zinc/08/31/43/566083143.db2.gz PLKTZLAEEQSQTR-QGZVFWFLSA-N 2 2 396.329 2.621 20 0 GFADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815021 566101196 /nfs/dbraw/zinc/10/11/96/566101196.db2.gz IXKNGSDYQYDGEU-JKSUJKDBSA-N 2 2 387.309 2.578 20 0 GFADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815021 566101201 /nfs/dbraw/zinc/10/12/01/566101201.db2.gz IXKNGSDYQYDGEU-JKSUJKDBSA-N 2 2 387.309 2.578 20 0 GFADLP CC[NH+](CC)Cc1csc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000656185057 566111852 /nfs/dbraw/zinc/11/18/52/566111852.db2.gz LEZIHAUNRGNXEC-UHFFFAOYSA-N 2 2 382.555 2.847 20 0 GFADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000682133002 566145527 /nfs/dbraw/zinc/14/55/27/566145527.db2.gz QCJCPNRPKQNUSQ-OAHLLOKOSA-N 2 2 388.737 2.917 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000657071593 566218127 /nfs/dbraw/zinc/21/81/27/566218127.db2.gz RVHYAAPFQZVFAP-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000657071593 566218133 /nfs/dbraw/zinc/21/81/33/566218133.db2.gz RVHYAAPFQZVFAP-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP Cc1c(Br)ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000684048748 566223540 /nfs/dbraw/zinc/22/35/40/566223540.db2.gz DDKWEYUOJOEZBN-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000684048748 566223542 /nfs/dbraw/zinc/22/35/42/566223542.db2.gz DDKWEYUOJOEZBN-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886390 607512687 /nfs/dbraw/zinc/51/26/87/607512687.db2.gz YDIDVDJOXMGNKF-APWZRJJASA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000824886390 607512689 /nfs/dbraw/zinc/51/26/89/607512689.db2.gz YDIDVDJOXMGNKF-APWZRJJASA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886390 607512691 /nfs/dbraw/zinc/51/26/91/607512691.db2.gz YDIDVDJOXMGNKF-APWZRJJASA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886390 607512692 /nfs/dbraw/zinc/51/26/92/607512692.db2.gz YDIDVDJOXMGNKF-APWZRJJASA-N 2 2 377.496 2.747 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000826202680 607707325 /nfs/dbraw/zinc/70/73/25/607707325.db2.gz ILIJKRAHEYUYBU-HNNXBMFYSA-N 2 2 393.495 2.586 20 0 GFADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822766618 606999506 /nfs/dbraw/zinc/99/95/06/606999506.db2.gz LDBAABZPPMBIAX-UHFFFAOYSA-N 2 2 380.471 2.803 20 0 GFADLP Cc1cc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c(C)o1 ZINC000826266085 608653507 /nfs/dbraw/zinc/65/35/07/608653507.db2.gz BEZDRFIHLKAGOV-UHFFFAOYSA-N 2 2 389.463 2.947 20 0 GFADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826518821 608680105 /nfs/dbraw/zinc/68/01/05/608680105.db2.gz YVVHJNYMOPHTRD-KRWDZBQOSA-N 2 2 394.527 2.602 20 0 GFADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826518821 608680107 /nfs/dbraw/zinc/68/01/07/608680107.db2.gz YVVHJNYMOPHTRD-KRWDZBQOSA-N 2 2 394.527 2.602 20 0 GFADLP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)[nH+]1 ZINC000826269522 609233058 /nfs/dbraw/zinc/23/30/58/609233058.db2.gz ORGWPOWEPHISPF-CZUORRHYSA-N 2 2 396.474 2.732 20 0 GFADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616876 609327459 /nfs/dbraw/zinc/32/74/59/609327459.db2.gz AGLMHCUIVNATDE-OAHLLOKOSA-N 2 2 396.470 2.689 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826330606 609366845 /nfs/dbraw/zinc/36/68/45/609366845.db2.gz AKPLSCSQNGWCRB-UHFFFAOYSA-N 2 2 390.289 2.656 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000826330606 609366848 /nfs/dbraw/zinc/36/68/48/609366848.db2.gz AKPLSCSQNGWCRB-UHFFFAOYSA-N 2 2 390.289 2.656 20 0 GFADLP CC(C)[C@H](C[NH2+][C@H](C)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000834502817 660822735 /nfs/dbraw/zinc/82/27/35/660822735.db2.gz UJCBJXUJZNCEQK-OLZOCXBDSA-N 2 2 375.380 2.828 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289246998 655344922 /nfs/dbraw/zinc/34/49/22/655344922.db2.gz CDJOPASMPDYDJG-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)cc3Br)C2)CC1 ZINC000289246998 655344923 /nfs/dbraw/zinc/34/49/23/655344923.db2.gz CDJOPASMPDYDJG-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000298117696 655372392 /nfs/dbraw/zinc/37/23/92/655372392.db2.gz OVGDMXJBNZNXNV-QGZVFWFLSA-N 2 2 378.314 2.771 20 0 GFADLP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245716910 655428323 /nfs/dbraw/zinc/42/83/23/655428323.db2.gz OTDIBGHBRUBQHJ-OAGGEKHMSA-N 2 2 376.372 2.976 20 0 GFADLP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245716910 655428325 /nfs/dbraw/zinc/42/83/25/655428325.db2.gz OTDIBGHBRUBQHJ-OAGGEKHMSA-N 2 2 376.372 2.976 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579592453 655501880 /nfs/dbraw/zinc/50/18/80/655501880.db2.gz UKZFTAQOLSGHJV-LSDHHAIUSA-N 2 2 375.314 2.985 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000579592453 655501881 /nfs/dbraw/zinc/50/18/81/655501881.db2.gz UKZFTAQOLSGHJV-LSDHHAIUSA-N 2 2 375.314 2.985 20 0 GFADLP C[NH+](C)CCCNC(=S)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943691 655590067 /nfs/dbraw/zinc/59/00/67/655590067.db2.gz NBSNHOBLKQZAFC-MRXNPFEDSA-N 2 2 386.968 2.859 20 0 GFADLP C[NH+](C)CCCNC(=S)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943691 655590071 /nfs/dbraw/zinc/59/00/71/655590071.db2.gz NBSNHOBLKQZAFC-MRXNPFEDSA-N 2 2 386.968 2.859 20 0 GFADLP Brc1ccc(C[N@H+](CCC2OCCCO2)CCn2cc[nH+]c2)o1 ZINC000796191696 658899751 /nfs/dbraw/zinc/89/97/51/658899751.db2.gz PJSRXDQZIAILBM-UHFFFAOYSA-N 2 2 384.274 2.894 20 0 GFADLP Brc1ccc(C[N@@H+](CCC2OCCCO2)CCn2cc[nH+]c2)o1 ZINC000796191696 658899753 /nfs/dbraw/zinc/89/97/53/658899753.db2.gz PJSRXDQZIAILBM-UHFFFAOYSA-N 2 2 384.274 2.894 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844698042 661435131 /nfs/dbraw/zinc/43/51/31/661435131.db2.gz MJEUAYMHSWEZJK-UHFFFAOYSA-N 2 2 389.297 2.851 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844698042 661435132 /nfs/dbraw/zinc/43/51/32/661435132.db2.gz MJEUAYMHSWEZJK-UHFFFAOYSA-N 2 2 389.297 2.851 20 0 GFADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000846218532 661538850 /nfs/dbraw/zinc/53/88/50/661538850.db2.gz XLZOZFZVGAPQNG-UHFFFAOYSA-N 2 2 394.368 2.819 20 0 GFADLP Cc1ccnc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1Br ZINC000865414670 662419652 /nfs/dbraw/zinc/41/96/52/662419652.db2.gz BXHQTOLAZAKNPJ-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)c1ccsc1 ZINC000870863667 662703757 /nfs/dbraw/zinc/70/37/57/662703757.db2.gz UJZNUSSXPCUFOQ-CABCVRRESA-N 2 2 382.327 2.930 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000878184436 662891358 /nfs/dbraw/zinc/89/13/58/662891358.db2.gz WCCIMIUYRRUZMR-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000878184436 662891360 /nfs/dbraw/zinc/89/13/60/662891360.db2.gz WCCIMIUYRRUZMR-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)c3cccnc32)CC1 ZINC000892816118 663385579 /nfs/dbraw/zinc/38/55/79/663385579.db2.gz OYOGHTJOOUZTPH-UHFFFAOYSA-N 2 2 378.318 2.830 20 0 GFADLP Cc1cc(Br)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000892986763 663392030 /nfs/dbraw/zinc/39/20/30/663392030.db2.gz YYSNLIYRQWHTTD-SJPCQFCGSA-N 2 2 379.346 2.900 20 0 GFADLP Cc1cc(Br)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000892986763 663392032 /nfs/dbraw/zinc/39/20/32/663392032.db2.gz YYSNLIYRQWHTTD-SJPCQFCGSA-N 2 2 379.346 2.900 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930220 663812272 /nfs/dbraw/zinc/81/22/72/663812272.db2.gz VECGDKYCCYZCEV-KBXCAEBGSA-N 2 2 392.345 2.841 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930220 663812274 /nfs/dbraw/zinc/81/22/74/663812274.db2.gz VECGDKYCCYZCEV-KBXCAEBGSA-N 2 2 392.345 2.841 20 0 GFADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451747 664630776 /nfs/dbraw/zinc/63/07/76/664630776.db2.gz CLXVYRBWWAWMAO-ZIAGYGMSSA-N 2 2 396.329 2.606 20 0 GFADLP C[C@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501648 664631507 /nfs/dbraw/zinc/63/15/07/664631507.db2.gz RTSYAXUYXZVWML-DZGCQCFKSA-N 2 2 379.551 2.630 20 0 GFADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501648 664631508 /nfs/dbraw/zinc/63/15/08/664631508.db2.gz RTSYAXUYXZVWML-DZGCQCFKSA-N 2 2 379.551 2.630 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818753 720150674 /nfs/dbraw/zinc/15/06/74/720150674.db2.gz UMPJKUYMDGVIBF-RMHGUEDNSA-N 2 2 399.535 2.761 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818753 720150676 /nfs/dbraw/zinc/15/06/76/720150676.db2.gz UMPJKUYMDGVIBF-RMHGUEDNSA-N 2 2 399.535 2.761 20 0 GFADLP Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC001164823585 720337656 /nfs/dbraw/zinc/33/76/56/720337656.db2.gz HEHLLGXOBJEJEZ-MOPGFXCFSA-N 2 2 385.556 2.820 20 0 GFADLP C[N@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757754 720981077 /nfs/dbraw/zinc/98/10/77/720981077.db2.gz QJENDHYTBMFJMZ-LJQANCHMSA-N 2 2 381.524 2.935 20 0 GFADLP C[N@@H+](Cc1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1)C1CC1 ZINC001164757754 720981086 /nfs/dbraw/zinc/98/10/86/720981086.db2.gz QJENDHYTBMFJMZ-LJQANCHMSA-N 2 2 381.524 2.935 20 0 GFADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001165008583 721715014 /nfs/dbraw/zinc/71/50/14/721715014.db2.gz HMUCHKHGHHZJKG-UHFFFAOYSA-N 2 2 383.544 2.518 20 0 GFADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001165008583 721715019 /nfs/dbraw/zinc/71/50/19/721715019.db2.gz HMUCHKHGHHZJKG-UHFFFAOYSA-N 2 2 383.544 2.518 20 0 GFADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001165008583 721715022 /nfs/dbraw/zinc/71/50/22/721715022.db2.gz HMUCHKHGHHZJKG-UHFFFAOYSA-N 2 2 383.544 2.518 20 0 GFADLP CC(C)[NH+](C)Cc1nnc2n1CCCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001165008583 721715025 /nfs/dbraw/zinc/71/50/25/721715025.db2.gz HMUCHKHGHHZJKG-UHFFFAOYSA-N 2 2 383.544 2.518 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@@H+](C4CCOCC4)CC3)n2c1 ZINC000093513012 551195118 /nfs/dbraw/zinc/19/51/18/551195118.db2.gz QGSFFHNLZFDABB-UHFFFAOYSA-N 2 2 393.329 2.784 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[N@H+](C4CCOCC4)CC3)n2c1 ZINC000093513012 551195127 /nfs/dbraw/zinc/19/51/27/551195127.db2.gz QGSFFHNLZFDABB-UHFFFAOYSA-N 2 2 393.329 2.784 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000121536735 551236407 /nfs/dbraw/zinc/23/64/07/551236407.db2.gz ZVYXLWRLXMMHAF-GUYCJALGSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000121536735 551236408 /nfs/dbraw/zinc/23/64/08/551236408.db2.gz ZVYXLWRLXMMHAF-GUYCJALGSA-N 2 2 391.313 2.664 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299593 551471772 /nfs/dbraw/zinc/47/17/72/551471772.db2.gz NQNYNUJFPJFPKV-MWLCHTKSSA-N 2 2 380.124 2.785 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000177150627 552150717 /nfs/dbraw/zinc/15/07/17/552150717.db2.gz BQMUICDBLQQMCM-UHFFFAOYSA-N 2 2 388.339 2.905 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1OC(F)F ZINC000180340388 552223112 /nfs/dbraw/zinc/22/31/12/552223112.db2.gz KFNOGIHPPYONCX-HNNXBMFYSA-N 2 2 381.261 2.761 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181060708 552244889 /nfs/dbraw/zinc/24/48/89/552244889.db2.gz PPLJDOFKQVFIJN-INIZCTEOSA-N 2 2 379.302 2.893 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181060708 552244891 /nfs/dbraw/zinc/24/48/91/552244891.db2.gz PPLJDOFKQVFIJN-INIZCTEOSA-N 2 2 379.302 2.893 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000182452392 552284290 /nfs/dbraw/zinc/28/42/90/552284290.db2.gz PNHFSEGDKWCRAQ-KRWDZBQOSA-N 2 2 386.323 2.799 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446206 552496654 /nfs/dbraw/zinc/49/66/54/552496654.db2.gz HQZHGNBJRZYHOX-ZIAGYGMSSA-N 2 2 398.345 2.661 20 0 GFADLP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000191552175 552531489 /nfs/dbraw/zinc/53/14/89/552531489.db2.gz AIWLWIGIOYJTOD-UHFFFAOYSA-N 2 2 379.448 2.869 20 0 GFADLP COCC[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000237121804 553075433 /nfs/dbraw/zinc/07/54/33/553075433.db2.gz MRIVHOIGQLOCNN-UHFFFAOYSA-N 2 2 381.314 2.925 20 0 GFADLP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)o1 ZINC000237961356 553084874 /nfs/dbraw/zinc/08/48/74/553084874.db2.gz SEGNLZYAIJXMRF-UHFFFAOYSA-N 2 2 392.297 2.895 20 0 GFADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254597 553141005 /nfs/dbraw/zinc/14/10/05/553141005.db2.gz HKFKYNMBMLPPSV-MAUKXSAKSA-N 2 2 392.341 2.972 20 0 GFADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254597 553141007 /nfs/dbraw/zinc/14/10/07/553141007.db2.gz HKFKYNMBMLPPSV-MAUKXSAKSA-N 2 2 392.341 2.972 20 0 GFADLP Brc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261798860 553159940 /nfs/dbraw/zinc/15/99/40/553159940.db2.gz ROGMJDASXKEXDH-UHFFFAOYSA-N 2 2 382.331 2.585 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@H]3c3ccncc3)c[nH+]c12 ZINC000261945572 553163590 /nfs/dbraw/zinc/16/35/90/553163590.db2.gz FHRIONJYPZSGSN-KRWDZBQOSA-N 2 2 386.297 2.947 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280856251 563357953 /nfs/dbraw/zinc/35/79/53/563357953.db2.gz LQTMJJPZJHLNTJ-GFCCVEGCSA-N 2 2 396.251 2.683 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280856251 563357954 /nfs/dbraw/zinc/35/79/54/563357954.db2.gz LQTMJJPZJHLNTJ-GFCCVEGCSA-N 2 2 396.251 2.683 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000371305736 563271465 /nfs/dbraw/zinc/27/14/65/563271465.db2.gz ZXQCVZORFYEGPP-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000371305736 563271469 /nfs/dbraw/zinc/27/14/69/563271469.db2.gz ZXQCVZORFYEGPP-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983313 563293109 /nfs/dbraw/zinc/29/31/09/563293109.db2.gz QLKYZQFWTDDDHN-HNNXBMFYSA-N 2 2 396.377 2.792 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983313 563293112 /nfs/dbraw/zinc/29/31/12/563293112.db2.gz QLKYZQFWTDDDHN-HNNXBMFYSA-N 2 2 396.377 2.792 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787269 563317366 /nfs/dbraw/zinc/31/73/66/563317366.db2.gz XGBHJTXHAKCAJC-KGLIPLIRSA-N 2 2 388.375 2.568 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3oc(Br)cc3C)CC2)CC1 ZINC000422003469 563327453 /nfs/dbraw/zinc/32/74/53/563327453.db2.gz DCAWMFIVFCSLGZ-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3oc(Br)cc3C)CC2)CC1 ZINC000422003469 563327456 /nfs/dbraw/zinc/32/74/56/563327456.db2.gz DCAWMFIVFCSLGZ-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560065 563342480 /nfs/dbraw/zinc/34/24/80/563342480.db2.gz HNVPJBLVVMEWDZ-TUAOUCFPSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560065 563342483 /nfs/dbraw/zinc/34/24/83/563342483.db2.gz HNVPJBLVVMEWDZ-TUAOUCFPSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895753 563349764 /nfs/dbraw/zinc/34/97/64/563349764.db2.gz GMSUMHWZDHJILP-INMHGKMJSA-N 2 2 382.346 2.632 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422994021 563352253 /nfs/dbraw/zinc/35/22/53/563352253.db2.gz UOCVBPVLOSULLY-RHSMWYFYSA-N 2 2 382.346 2.906 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000422994022 563352722 /nfs/dbraw/zinc/35/27/22/563352722.db2.gz UOCVBPVLOSULLY-WMLDXEAASA-N 2 2 382.346 2.906 20 0 GFADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099417 563355277 /nfs/dbraw/zinc/35/52/77/563355277.db2.gz AIUNPHUJYXJVMG-IRXDYDNUSA-N 2 2 379.913 2.661 20 0 GFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246781 563359569 /nfs/dbraw/zinc/35/95/69/563359569.db2.gz PZOGBLNUOOEONI-IRXDYDNUSA-N 2 2 381.929 2.989 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482242 563361177 /nfs/dbraw/zinc/36/11/77/563361177.db2.gz RHJVCLSDZLUMTC-CMPLNLGQSA-N 2 2 391.151 2.766 20 0 GFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423508408 563361509 /nfs/dbraw/zinc/36/15/09/563361509.db2.gz QRKKCESQMXLJPE-DYVFJYSZSA-N 2 2 378.314 2.851 20 0 GFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423508389 563361536 /nfs/dbraw/zinc/36/15/36/563361536.db2.gz QRKKCESQMXLJPE-CXAGYDPISA-N 2 2 378.314 2.851 20 0 GFADLP C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374266884 563366788 /nfs/dbraw/zinc/36/67/88/563366788.db2.gz AMMKVFIYGQTHTP-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374266884 563366790 /nfs/dbraw/zinc/36/67/90/563366790.db2.gz AMMKVFIYGQTHTP-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)c[nH+]c12 ZINC000374626608 563378137 /nfs/dbraw/zinc/37/81/37/563378137.db2.gz AUKVGWYAJVTGPT-WMLDXEAASA-N 2 2 380.286 2.833 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000375202486 563394642 /nfs/dbraw/zinc/39/46/42/563394642.db2.gz QSUZFQLVZTVFPH-JSGCOSHPSA-N 2 2 376.492 2.928 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376326292 563438097 /nfs/dbraw/zinc/43/80/97/563438097.db2.gz YKQNDOWIJMIMDK-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376326292 563438099 /nfs/dbraw/zinc/43/80/99/563438099.db2.gz YKQNDOWIJMIMDK-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000376798348 563454736 /nfs/dbraw/zinc/45/47/36/563454736.db2.gz GIRHPBYCVSLSFG-FUHWJXTLSA-N 2 2 382.595 2.798 20 0 GFADLP Cc1nn(C)c(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000377703865 563483261 /nfs/dbraw/zinc/48/32/61/563483261.db2.gz QAAFLCRRJQZEHE-UHFFFAOYSA-N 2 2 378.318 2.987 20 0 GFADLP Cc1nn(C)c(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1Br ZINC000377703865 563483263 /nfs/dbraw/zinc/48/32/63/563483263.db2.gz QAAFLCRRJQZEHE-UHFFFAOYSA-N 2 2 378.318 2.987 20 0 GFADLP CC[N@H+](CCOc1ccc(Br)cc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089025 563552813 /nfs/dbraw/zinc/55/28/13/563552813.db2.gz UINOXOXWVFYIDM-UHFFFAOYSA-N 2 2 383.290 2.927 20 0 GFADLP CC[N@@H+](CCOc1ccc(Br)cc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431089025 563552816 /nfs/dbraw/zinc/55/28/16/563552816.db2.gz UINOXOXWVFYIDM-UHFFFAOYSA-N 2 2 383.290 2.927 20 0 GFADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256621 563608131 /nfs/dbraw/zinc/60/81/31/563608131.db2.gz AYRCBVJPERLJSL-DOTOQJQBSA-N 2 2 380.330 2.971 20 0 GFADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256621 563608134 /nfs/dbraw/zinc/60/81/34/563608134.db2.gz AYRCBVJPERLJSL-DOTOQJQBSA-N 2 2 380.330 2.971 20 0 GFADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000288364459 563640157 /nfs/dbraw/zinc/64/01/57/563640157.db2.gz KOGGXNVWGQJRTI-UHFFFAOYSA-N 2 2 391.313 2.886 20 0 GFADLP C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630273 563655798 /nfs/dbraw/zinc/65/57/98/563655798.db2.gz ZZRCOSVMXSBIBR-NSHDSACASA-N 2 2 376.245 2.740 20 0 GFADLP C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630273 563655800 /nfs/dbraw/zinc/65/58/00/563655800.db2.gz ZZRCOSVMXSBIBR-NSHDSACASA-N 2 2 376.245 2.740 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378884 563706137 /nfs/dbraw/zinc/70/61/37/563706137.db2.gz DBDPQZVQSMPFKM-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378884 563706139 /nfs/dbraw/zinc/70/61/39/563706139.db2.gz DBDPQZVQSMPFKM-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CC[NH+]([C@H]4CCSC4)CC3)n2c1 ZINC000362334682 563706262 /nfs/dbraw/zinc/70/62/62/563706262.db2.gz IHLBCTUBTUWJTI-AWEZNQCLSA-N 2 2 381.343 2.720 20 0 GFADLP COC[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC[NH2+]1 ZINC000414944398 563755297 /nfs/dbraw/zinc/75/52/97/563755297.db2.gz NZSIPGCYJFGBIM-IBGZPJMESA-N 2 2 396.373 2.772 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414951968 563755384 /nfs/dbraw/zinc/75/53/84/563755384.db2.gz JYXUHBGDLYUMTB-CZUORRHYSA-N 2 2 399.329 2.930 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000415055585 563757723 /nfs/dbraw/zinc/75/77/23/563757723.db2.gz NJGMRCZAAQPTGU-RDTXWAMCSA-N 2 2 382.346 2.702 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000415055585 563757726 /nfs/dbraw/zinc/75/77/26/563757726.db2.gz NJGMRCZAAQPTGU-RDTXWAMCSA-N 2 2 382.346 2.702 20 0 GFADLP [NH3+]C1(C[NH2+]Cc2cncc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137843 563760459 /nfs/dbraw/zinc/76/04/59/563760459.db2.gz UGUXWZNOQZPCDK-UHFFFAOYSA-N 3 2 389.341 2.927 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146151 563761049 /nfs/dbraw/zinc/76/10/49/563761049.db2.gz YJICJYWXUODLLN-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146151 563761051 /nfs/dbraw/zinc/76/10/51/563761051.db2.gz YJICJYWXUODLLN-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142374 563761348 /nfs/dbraw/zinc/76/13/48/563761348.db2.gz RHODCARICUSXPC-HOTGVXAUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142374 563761350 /nfs/dbraw/zinc/76/13/50/563761350.db2.gz RHODCARICUSXPC-HOTGVXAUSA-N 2 2 383.323 2.714 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292950665 563797208 /nfs/dbraw/zinc/79/72/08/563797208.db2.gz KOPIPIBQVYZZOD-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292950665 563797210 /nfs/dbraw/zinc/79/72/10/563797210.db2.gz KOPIPIBQVYZZOD-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292950665 563797212 /nfs/dbraw/zinc/79/72/12/563797212.db2.gz KOPIPIBQVYZZOD-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292950665 563797213 /nfs/dbraw/zinc/79/72/13/563797213.db2.gz KOPIPIBQVYZZOD-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000417210762 563873176 /nfs/dbraw/zinc/87/31/76/563873176.db2.gz DLELJBPZGPZLCZ-JOCQHMNTSA-N 2 2 394.317 2.661 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C[NH3+])CC(C)C)[nH+]c12 ZINC000418024777 563896019 /nfs/dbraw/zinc/89/60/19/563896019.db2.gz UIEDRGZHCXPQFC-HNNXBMFYSA-N 2 2 396.333 2.620 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563217937 564180332 /nfs/dbraw/zinc/18/03/32/564180332.db2.gz QYWOBNFGXIRFAE-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000563217937 564180335 /nfs/dbraw/zinc/18/03/35/564180335.db2.gz QYWOBNFGXIRFAE-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccco1 ZINC000563217937 564180338 /nfs/dbraw/zinc/18/03/38/564180338.db2.gz QYWOBNFGXIRFAE-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccco1 ZINC000563217937 564180340 /nfs/dbraw/zinc/18/03/40/564180340.db2.gz QYWOBNFGXIRFAE-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP O=C(C[NH2+]Cc1cccc(F)c1Br)NCC[NH+]1CCCCCC1 ZINC000449340288 564181928 /nfs/dbraw/zinc/18/19/28/564181928.db2.gz NTDVVORMQIEZKT-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1Cc1ccccc1 ZINC000449373729 564182465 /nfs/dbraw/zinc/18/24/65/564182465.db2.gz CLJPFQOSSZSWIA-MAUKXSAKSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1Cc1ccccc1 ZINC000449373729 564182468 /nfs/dbraw/zinc/18/24/68/564182468.db2.gz CLJPFQOSSZSWIA-MAUKXSAKSA-N 2 2 390.325 2.863 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449681888 564196138 /nfs/dbraw/zinc/19/61/38/564196138.db2.gz MSTVQVVYSSUKSF-QWQRMKEZSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449681888 564196143 /nfs/dbraw/zinc/19/61/43/564196143.db2.gz MSTVQVVYSSUKSF-QWQRMKEZSA-N 2 2 397.357 2.681 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ncc(Cl)s3)c2)C1 ZINC000472048409 564210882 /nfs/dbraw/zinc/21/08/82/564210882.db2.gz QCWDEHWFNUTSAG-HNNXBMFYSA-N 2 2 378.929 2.784 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ncc(Cl)s3)c2)C1 ZINC000472048409 564210886 /nfs/dbraw/zinc/21/08/86/564210886.db2.gz QCWDEHWFNUTSAG-HNNXBMFYSA-N 2 2 378.929 2.784 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000540191698 564241722 /nfs/dbraw/zinc/24/17/22/564241722.db2.gz QUVIVJJOXJPAJX-ZDUSSCGKSA-N 2 2 399.329 2.982 20 0 GFADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564949463 564259259 /nfs/dbraw/zinc/25/92/59/564259259.db2.gz MUMJOSVNNGWHOQ-AEFFLSMTSA-N 2 2 380.330 2.783 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164225 564268722 /nfs/dbraw/zinc/26/87/22/564268722.db2.gz MJOASMUNQBGMLF-GOSISDBHSA-N 2 2 385.346 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164225 564268726 /nfs/dbraw/zinc/26/87/26/564268726.db2.gz MJOASMUNQBGMLF-GOSISDBHSA-N 2 2 385.346 2.568 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000475116830 564300632 /nfs/dbraw/zinc/30/06/32/564300632.db2.gz GMBSXKOHMUNMKX-HNNXBMFYSA-N 2 2 394.317 2.723 20 0 GFADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000475116830 564300635 /nfs/dbraw/zinc/30/06/35/564300635.db2.gz GMBSXKOHMUNMKX-HNNXBMFYSA-N 2 2 394.317 2.723 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887375 564300865 /nfs/dbraw/zinc/30/08/65/564300865.db2.gz MRQIHFDYBXYXDG-TYNCELHUSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000565887375 564300866 /nfs/dbraw/zinc/30/08/66/564300866.db2.gz MRQIHFDYBXYXDG-TYNCELHUSA-N 2 2 391.737 2.662 20 0 GFADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415506 564350320 /nfs/dbraw/zinc/35/03/20/564350320.db2.gz ZYUSQOTUWGGQPF-ZDUSSCGKSA-N 2 2 381.826 2.833 20 0 GFADLP COCC[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415506 564350324 /nfs/dbraw/zinc/35/03/24/564350324.db2.gz ZYUSQOTUWGGQPF-ZDUSSCGKSA-N 2 2 381.826 2.833 20 0 GFADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Br)cc1 ZINC000567581582 564379056 /nfs/dbraw/zinc/37/90/56/564379056.db2.gz IFHGQNJKEPINGS-INIZCTEOSA-N 2 2 390.281 2.669 20 0 GFADLP O=C1[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCN1CC(F)(F)F ZINC000513464219 564430249 /nfs/dbraw/zinc/43/02/49/564430249.db2.gz VWNBRQNYEDQEDB-GFCCVEGCSA-N 2 2 375.357 2.546 20 0 GFADLP C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC[NH+](CCO)CC1 ZINC000513542631 564432371 /nfs/dbraw/zinc/43/23/71/564432371.db2.gz HCCHMNDEJGLUKM-UHFFFAOYSA-N 2 2 381.314 2.613 20 0 GFADLP C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC[NH+](CCO)CC1 ZINC000513542631 564432375 /nfs/dbraw/zinc/43/23/75/564432375.db2.gz HCCHMNDEJGLUKM-UHFFFAOYSA-N 2 2 381.314 2.613 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446073 564440882 /nfs/dbraw/zinc/44/08/82/564440882.db2.gz NKDUXRKQKOGYCX-WBVHZDCISA-N 2 2 388.599 2.768 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446073 564440883 /nfs/dbraw/zinc/44/08/83/564440883.db2.gz NKDUXRKQKOGYCX-WBVHZDCISA-N 2 2 388.599 2.768 20 0 GFADLP Cc1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000517535911 564535359 /nfs/dbraw/zinc/53/53/59/564535359.db2.gz MXKUXBCEXZJUKJ-SNVBAGLBSA-N 2 2 375.698 2.518 20 0 GFADLP Cc1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000517535911 564535362 /nfs/dbraw/zinc/53/53/62/564535362.db2.gz MXKUXBCEXZJUKJ-SNVBAGLBSA-N 2 2 375.698 2.518 20 0 GFADLP C[C@@H]1C[NH+](CCOC2CCN(c3cc[nH+]cc3Br)CC2)C[C@@H](C)O1 ZINC000548491143 564553702 /nfs/dbraw/zinc/55/37/02/564553702.db2.gz XMJPWUHOWDNBQF-HUUCEWRRSA-N 2 2 398.345 2.939 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000572891526 564614217 /nfs/dbraw/zinc/61/42/17/564614217.db2.gz FTIFCHLZTQPQKU-GOSISDBHSA-N 2 2 387.977 2.738 20 0 GFADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238107 564617774 /nfs/dbraw/zinc/61/77/74/564617774.db2.gz RSCJHNMLJKYJGI-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238107 564617778 /nfs/dbraw/zinc/61/77/78/564617778.db2.gz RSCJHNMLJKYJGI-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238107 564617780 /nfs/dbraw/zinc/61/77/80/564617780.db2.gz RSCJHNMLJKYJGI-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238107 564617781 /nfs/dbraw/zinc/61/77/81/564617781.db2.gz RSCJHNMLJKYJGI-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000489314242 564735298 /nfs/dbraw/zinc/73/52/98/564735298.db2.gz AWKAYWYAUNHORW-DZGCQCFKSA-N 2 2 394.317 2.769 20 0 GFADLP CCOc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc(Br)c1O ZINC000459478293 564745766 /nfs/dbraw/zinc/74/57/66/564745766.db2.gz MYBVSBLYWIKZKV-ZDUSSCGKSA-N 2 2 387.318 2.754 20 0 GFADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000554591776 564767429 /nfs/dbraw/zinc/76/74/29/564767429.db2.gz CDEFYWIHGOOTNR-UHFFFAOYSA-N 2 2 391.313 2.506 20 0 GFADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000580948146 564781351 /nfs/dbraw/zinc/78/13/51/564781351.db2.gz CQPBKIZTMFMUEH-ZDUSSCGKSA-N 2 2 392.135 2.756 20 0 GFADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000580948146 564781355 /nfs/dbraw/zinc/78/13/55/564781355.db2.gz CQPBKIZTMFMUEH-ZDUSSCGKSA-N 2 2 392.135 2.756 20 0 GFADLP CN(C)c1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000531710608 564918113 /nfs/dbraw/zinc/91/81/13/564918113.db2.gz FILSWCZDSADXBS-UHFFFAOYSA-N 2 2 376.302 2.627 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3c[nH]c4nccnc34)[nH+]c12 ZINC000584204724 564925177 /nfs/dbraw/zinc/92/51/77/564925177.db2.gz YKTCELKISZXMOW-UHFFFAOYSA-N 2 2 385.269 2.960 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000533569065 564966645 /nfs/dbraw/zinc/96/66/45/564966645.db2.gz VASAJSLTWZDAPX-KRWDZBQOSA-N 2 2 389.297 2.866 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000533569066 564966732 /nfs/dbraw/zinc/96/67/32/564966732.db2.gz VASAJSLTWZDAPX-QGZVFWFLSA-N 2 2 389.297 2.866 20 0 GFADLP Cc1ccc(Cl)c(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000535024593 565002369 /nfs/dbraw/zinc/00/23/69/565002369.db2.gz VRYDOGZZNBIUSG-UHFFFAOYSA-N 2 2 380.901 2.596 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000469242574 565009715 /nfs/dbraw/zinc/00/97/15/565009715.db2.gz KZCWAFLNWYYGIE-UHFFFAOYSA-N 2 2 393.329 2.776 20 0 GFADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622355 565077056 /nfs/dbraw/zinc/07/70/56/565077056.db2.gz PYQVSSMHJUQJSG-YOEHRIQHSA-N 2 2 378.314 2.988 20 0 GFADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622355 565077059 /nfs/dbraw/zinc/07/70/59/565077059.db2.gz PYQVSSMHJUQJSG-YOEHRIQHSA-N 2 2 378.314 2.988 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(OC)c1 ZINC000657750134 565125757 /nfs/dbraw/zinc/12/57/57/565125757.db2.gz AYCKVWWDANIMOJ-AWEZNQCLSA-N 2 2 399.329 2.809 20 0 GFADLP Brc1cc2c(cc1C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)OCO2 ZINC000657751360 565126104 /nfs/dbraw/zinc/12/61/04/565126104.db2.gz RBFGEOUAUFPGEL-AWEZNQCLSA-N 2 2 383.286 2.521 20 0 GFADLP Brc1cnc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122163 565185223 /nfs/dbraw/zinc/18/52/23/565185223.db2.gz LPXAHONQJNUJFX-CQSZACIVSA-N 2 2 378.318 2.800 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cnn2c1 ZINC000638122163 565185226 /nfs/dbraw/zinc/18/52/26/565185226.db2.gz LPXAHONQJNUJFX-CQSZACIVSA-N 2 2 378.318 2.800 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586344 565203134 /nfs/dbraw/zinc/20/31/34/565203134.db2.gz QKTAYTCAQJWEIU-UONOGXRCSA-N 2 2 386.359 2.771 20 0 GFADLP CCn1cc[nH+]c1[C@H](NC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581397 565233610 /nfs/dbraw/zinc/23/36/10/565233610.db2.gz UMXKAXSAJHDWAN-SMDDNHRTSA-N 2 2 384.265 2.534 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Br)c1 ZINC000617765757 565258498 /nfs/dbraw/zinc/25/84/98/565258498.db2.gz PAQMLZIPJPDBDR-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(Br)c1 ZINC000617765757 565258502 /nfs/dbraw/zinc/25/85/02/565258502.db2.gz PAQMLZIPJPDBDR-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000617767738 565258786 /nfs/dbraw/zinc/25/87/86/565258786.db2.gz AMUDPUIOISOZFF-UHFFFAOYSA-N 2 2 382.302 2.809 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(Br)ccc2o1 ZINC000617767738 565258787 /nfs/dbraw/zinc/25/87/87/565258787.db2.gz AMUDPUIOISOZFF-UHFFFAOYSA-N 2 2 382.302 2.809 20 0 GFADLP [NH3+][C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Br ZINC000662447098 565368891 /nfs/dbraw/zinc/36/88/91/565368891.db2.gz UTVDYHSNZPZCQW-MRXNPFEDSA-N 2 2 377.286 2.852 20 0 GFADLP C[NH2+][C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662532917 565374912 /nfs/dbraw/zinc/37/49/12/565374912.db2.gz WQJFYCWKOYSDCV-AHIWAGSCSA-N 2 2 388.339 2.822 20 0 GFADLP C[NH2+][C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662532917 565374915 /nfs/dbraw/zinc/37/49/15/565374915.db2.gz WQJFYCWKOYSDCV-AHIWAGSCSA-N 2 2 388.339 2.822 20 0 GFADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663535 565380490 /nfs/dbraw/zinc/38/04/90/565380490.db2.gz NUAAYSFLLJUONO-IAQYHMDHSA-N 2 2 376.448 2.856 20 0 GFADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663535 565380495 /nfs/dbraw/zinc/38/04/95/565380495.db2.gz NUAAYSFLLJUONO-IAQYHMDHSA-N 2 2 376.448 2.856 20 0 GFADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835628 565387297 /nfs/dbraw/zinc/38/72/97/565387297.db2.gz QLFNONQSHSMZPN-VXGBXAGGSA-N 2 2 384.343 2.861 20 0 GFADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835628 565387302 /nfs/dbraw/zinc/38/73/02/565387302.db2.gz QLFNONQSHSMZPN-VXGBXAGGSA-N 2 2 384.343 2.861 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788605 565399678 /nfs/dbraw/zinc/39/96/78/565399678.db2.gz TUFHGCNTFHEEPK-APWZRJJASA-N 2 2 396.373 2.896 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862043 565401174 /nfs/dbraw/zinc/40/11/74/565401174.db2.gz IHHBDHIELIJAMH-REMYHPOOSA-N 2 2 395.345 2.742 20 0 GFADLP COc1ccc([C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)c(Br)c1 ZINC000665293225 565496465 /nfs/dbraw/zinc/49/64/65/565496465.db2.gz VXTLJJNJIRGXOH-QGZVFWFLSA-N 2 2 395.301 2.899 20 0 GFADLP Cc1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)ncc1Br ZINC000628278410 565782115 /nfs/dbraw/zinc/78/21/15/565782115.db2.gz PJIYKQNGIVMBIZ-UHFFFAOYSA-N 2 2 381.362 2.612 20 0 GFADLP Ic1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000602719176 565865420 /nfs/dbraw/zinc/86/54/20/565865420.db2.gz USPHVHOCPQQNLQ-GFCCVEGCSA-N 2 2 392.306 2.696 20 0 GFADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000650709664 565833144 /nfs/dbraw/zinc/83/31/44/565833144.db2.gz KZMBKIURNREJLL-LPHOPBHVSA-N 2 2 394.357 2.847 20 0 GFADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C2 ZINC000650709664 565833145 /nfs/dbraw/zinc/83/31/45/565833145.db2.gz KZMBKIURNREJLL-LPHOPBHVSA-N 2 2 394.357 2.847 20 0 GFADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604193 565863766 /nfs/dbraw/zinc/86/37/66/565863766.db2.gz STKRNJOBMQPIJB-SJORKVTESA-N 2 2 383.330 2.795 20 0 GFADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604193 565863769 /nfs/dbraw/zinc/86/37/69/565863769.db2.gz STKRNJOBMQPIJB-SJORKVTESA-N 2 2 383.330 2.795 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000653166006 565957175 /nfs/dbraw/zinc/95/71/75/565957175.db2.gz QDYLJQURWPICFT-IAGOWNOFSA-N 2 2 382.346 2.652 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248491 565966374 /nfs/dbraw/zinc/96/63/74/565966374.db2.gz XQLMEGLKDZWWIH-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248491 565966378 /nfs/dbraw/zinc/96/63/78/565966378.db2.gz XQLMEGLKDZWWIH-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885926 565981403 /nfs/dbraw/zinc/98/14/03/565981403.db2.gz FEDLCQYCTDUYSC-YSVLISHTSA-N 2 2 380.330 2.700 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc(Br)cc1 ZINC000631885926 565981407 /nfs/dbraw/zinc/98/14/07/565981407.db2.gz FEDLCQYCTDUYSC-YSVLISHTSA-N 2 2 380.330 2.700 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906633 565992583 /nfs/dbraw/zinc/99/25/83/565992583.db2.gz MJPTZGVULUZJCS-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906633 565992587 /nfs/dbraw/zinc/99/25/87/565992587.db2.gz MJPTZGVULUZJCS-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000656264746 566120554 /nfs/dbraw/zinc/12/05/54/566120554.db2.gz QSNMLTJYBXYQLK-MRXNPFEDSA-N 2 2 396.329 2.539 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771270 566213387 /nfs/dbraw/zinc/21/33/87/566213387.db2.gz DMHFCQIRFUYCRX-BBRMVZONSA-N 2 2 378.318 2.578 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771270 566213388 /nfs/dbraw/zinc/21/33/88/566213388.db2.gz DMHFCQIRFUYCRX-BBRMVZONSA-N 2 2 378.318 2.578 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000657072385 566217482 /nfs/dbraw/zinc/21/74/82/566217482.db2.gz WSFVXUBELPNLIJ-JTQLQIEISA-N 2 2 388.386 2.605 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000657072385 566217487 /nfs/dbraw/zinc/21/74/87/566217487.db2.gz WSFVXUBELPNLIJ-JTQLQIEISA-N 2 2 388.386 2.605 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)c1cccc2[nH]ncc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000261913491 570573447 /nfs/dbraw/zinc/57/34/47/570573447.db2.gz XXNHNVWIGRQLJN-GOSISDBHSA-N 2 2 378.480 2.564 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CC12CC[NH2+]CC2 ZINC000262094919 570615959 /nfs/dbraw/zinc/61/59/59/570615959.db2.gz HRXXTICNHSDPRP-KRWDZBQOSA-N 2 2 378.480 2.564 20 0 GFADLP C[NH+](C)[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C1 ZINC000736757900 598670731 /nfs/dbraw/zinc/67/07/31/598670731.db2.gz ZDUUOHMLHBJOIL-LLVKDONJSA-N 2 2 389.410 2.547 20 0 GFADLP Cc1cccc2c(NCC3([NH+](C)C)Cc4ccccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334362 599583031 /nfs/dbraw/zinc/58/30/31/599583031.db2.gz CELSYEHMGGSNCJ-UHFFFAOYSA-N 2 2 399.502 2.656 20 0 GFADLP c1cc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517966 607479538 /nfs/dbraw/zinc/47/95/38/607479538.db2.gz WWNPEDYTIXGFQU-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517966 607479539 /nfs/dbraw/zinc/47/95/39/607479539.db2.gz WWNPEDYTIXGFQU-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517966 607479540 /nfs/dbraw/zinc/47/95/40/607479540.db2.gz WWNPEDYTIXGFQU-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517966 607479541 /nfs/dbraw/zinc/47/95/41/607479541.db2.gz WWNPEDYTIXGFQU-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826192289 607521849 /nfs/dbraw/zinc/52/18/49/607521849.db2.gz HRLAWKSRSAKOJQ-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826192289 607521851 /nfs/dbraw/zinc/52/18/51/607521851.db2.gz HRLAWKSRSAKOJQ-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253196 606500231 /nfs/dbraw/zinc/50/02/31/606500231.db2.gz DVFGEWLENVSZJE-DOMZBBRYSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253196 606500234 /nfs/dbraw/zinc/50/02/34/606500234.db2.gz DVFGEWLENVSZJE-DOMZBBRYSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253196 606500235 /nfs/dbraw/zinc/50/02/35/606500235.db2.gz DVFGEWLENVSZJE-DOMZBBRYSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253196 606500237 /nfs/dbraw/zinc/50/02/37/606500237.db2.gz DVFGEWLENVSZJE-DOMZBBRYSA-N 2 2 380.443 2.773 20 0 GFADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302092 608314078 /nfs/dbraw/zinc/31/40/78/608314078.db2.gz WGWCQGCIARHYPT-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302092 608314080 /nfs/dbraw/zinc/31/40/80/608314080.db2.gz WGWCQGCIARHYPT-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302092 608314081 /nfs/dbraw/zinc/31/40/81/608314081.db2.gz WGWCQGCIARHYPT-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302092 608314083 /nfs/dbraw/zinc/31/40/83/608314083.db2.gz WGWCQGCIARHYPT-QGZVFWFLSA-N 2 2 394.527 2.525 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826168985 608362953 /nfs/dbraw/zinc/36/29/53/608362953.db2.gz DTFSHHADSURGBI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826168985 608362956 /nfs/dbraw/zinc/36/29/56/608362956.db2.gz DTFSHHADSURGBI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826168985 608362958 /nfs/dbraw/zinc/36/29/58/608362958.db2.gz DTFSHHADSURGBI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826168985 608362960 /nfs/dbraw/zinc/36/29/60/608362960.db2.gz DTFSHHADSURGBI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)cs1 ZINC000834512923 660822897 /nfs/dbraw/zinc/82/28/97/660822897.db2.gz BVPFMCZDWDLLKQ-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1Br ZINC000048402007 654706192 /nfs/dbraw/zinc/70/61/92/654706192.db2.gz IFGLJQAMQJAQPP-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1Br ZINC000048402007 654706198 /nfs/dbraw/zinc/70/61/98/654706198.db2.gz IFGLJQAMQJAQPP-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP COc1cc(Br)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133388776 654962923 /nfs/dbraw/zinc/96/29/23/654962923.db2.gz QTEWUWJZXAEDIW-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1cc(Br)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133388776 654962928 /nfs/dbraw/zinc/96/29/28/654962928.db2.gz QTEWUWJZXAEDIW-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000270252944 655038862 /nfs/dbraw/zinc/03/88/62/655038862.db2.gz UUDQONNNEJSCTM-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000270252944 655038864 /nfs/dbraw/zinc/03/88/64/655038864.db2.gz UUDQONNNEJSCTM-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938370 661064025 /nfs/dbraw/zinc/06/40/25/661064025.db2.gz FHPYBEFUNXEMHP-UONOGXRCSA-N 2 2 385.302 2.506 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938370 661064030 /nfs/dbraw/zinc/06/40/30/661064030.db2.gz FHPYBEFUNXEMHP-UONOGXRCSA-N 2 2 385.302 2.506 20 0 GFADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340729 655185496 /nfs/dbraw/zinc/18/54/96/655185496.db2.gz PQXQLPBWBIHDQF-HKUYNNGSSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340729 655185497 /nfs/dbraw/zinc/18/54/97/655185497.db2.gz PQXQLPBWBIHDQF-HKUYNNGSSA-N 2 2 390.325 2.817 20 0 GFADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812556 655437825 /nfs/dbraw/zinc/43/78/25/655437825.db2.gz NJFQHYNEGWYQAQ-SFHVURJKSA-N 2 2 385.346 2.743 20 0 GFADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812556 655437826 /nfs/dbraw/zinc/43/78/26/655437826.db2.gz NJFQHYNEGWYQAQ-SFHVURJKSA-N 2 2 385.346 2.743 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812556 655437828 /nfs/dbraw/zinc/43/78/28/655437828.db2.gz NJFQHYNEGWYQAQ-SFHVURJKSA-N 2 2 385.346 2.743 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812556 655437830 /nfs/dbraw/zinc/43/78/30/655437830.db2.gz NJFQHYNEGWYQAQ-SFHVURJKSA-N 2 2 385.346 2.743 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000261964595 655443210 /nfs/dbraw/zinc/44/32/10/655443210.db2.gz HQSUIZKIMUJPGB-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Br ZINC000261964595 655443214 /nfs/dbraw/zinc/44/32/14/655443214.db2.gz HQSUIZKIMUJPGB-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842511437 661342831 /nfs/dbraw/zinc/34/28/31/661342831.db2.gz ASFXMPNSLHCTES-HKUYNNGSSA-N 2 2 392.341 2.941 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000849280571 661702368 /nfs/dbraw/zinc/70/23/68/661702368.db2.gz XBHYTLFBNPLDPU-UHFFFAOYSA-N 2 2 378.464 2.755 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000849280571 661702376 /nfs/dbraw/zinc/70/23/76/661702376.db2.gz XBHYTLFBNPLDPU-UHFFFAOYSA-N 2 2 378.464 2.755 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000858127374 662100125 /nfs/dbraw/zinc/10/01/25/662100125.db2.gz ZBAGJPVQDMYHGU-STQMWFEESA-N 2 2 397.342 2.854 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000858127374 662100127 /nfs/dbraw/zinc/10/01/27/662100127.db2.gz ZBAGJPVQDMYHGU-STQMWFEESA-N 2 2 397.342 2.854 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750864 662441272 /nfs/dbraw/zinc/44/12/72/662441272.db2.gz TZRRJXCJYJNALB-FZDNWWAKSA-N 2 2 396.329 2.730 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750864 662441276 /nfs/dbraw/zinc/44/12/76/662441276.db2.gz TZRRJXCJYJNALB-FZDNWWAKSA-N 2 2 396.329 2.730 20 0 GFADLP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3I)CC2)CC1 ZINC000877747335 662882774 /nfs/dbraw/zinc/88/27/74/662882774.db2.gz GZAGAZKGHHEGBO-UHFFFAOYSA-N 2 2 399.320 2.503 20 0 GFADLP CCO/C=C\[C@@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710854 663524650 /nfs/dbraw/zinc/52/46/50/663524650.db2.gz OBPDLPLHIIXDRZ-AGEOTTOMSA-N 2 2 378.357 2.836 20 0 GFADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451746 664630805 /nfs/dbraw/zinc/63/08/05/664630805.db2.gz CLXVYRBWWAWMAO-UONOGXRCSA-N 2 2 396.329 2.606 20 0 GFADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925585643 664673374 /nfs/dbraw/zinc/67/33/74/664673374.db2.gz IUGZPEPOANAIHA-HYVNUMGLSA-N 2 2 385.599 2.645 20 0 GFADLP Cn1cc(I)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)n1 ZINC000925687223 664673969 /nfs/dbraw/zinc/67/39/69/664673969.db2.gz GKTLHYOOFFTPOT-CQSZACIVSA-N 2 2 384.265 2.595 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000926071662 664680862 /nfs/dbraw/zinc/68/08/62/664680862.db2.gz OEQVTIYQTPTDHV-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744230 720812722 /nfs/dbraw/zinc/81/27/22/720812722.db2.gz IELXGJYVZFLTDW-IRFCIJBXSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744230 720812723 /nfs/dbraw/zinc/81/27/23/720812723.db2.gz IELXGJYVZFLTDW-IRFCIJBXSA-N 2 2 395.555 2.879 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749971 720880018 /nfs/dbraw/zinc/88/00/18/720880018.db2.gz IEVBPFMBSIOIIZ-REWPJTCUSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749971 720880019 /nfs/dbraw/zinc/88/00/19/720880019.db2.gz IEVBPFMBSIOIIZ-REWPJTCUSA-N 2 2 393.535 2.814 20 0 GFADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924304 721867621 /nfs/dbraw/zinc/86/76/21/721867621.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924304 721867624 /nfs/dbraw/zinc/86/76/24/721867624.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924304 721867625 /nfs/dbraw/zinc/86/76/25/721867625.db2.gz KSJZEPGZKUPEBQ-QZTJIDSGSA-N 2 2 377.964 2.545 20 0 GFADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000112645182 551206586 /nfs/dbraw/zinc/20/65/86/551206586.db2.gz CZQKMANRVFHAKB-CVEARBPZSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000112645182 551206588 /nfs/dbraw/zinc/20/65/88/551206588.db2.gz CZQKMANRVFHAKB-CVEARBPZSA-N 2 2 379.595 3.000 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc(Br)c1OC(F)F ZINC000415097946 563758790 /nfs/dbraw/zinc/75/87/90/563758790.db2.gz UNZGEKHBTOITAR-NSHDSACASA-N 2 2 395.244 2.527 20 0 GFADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000130727925 551368911 /nfs/dbraw/zinc/36/89/11/551368911.db2.gz WKQHLJUHPFYYKG-OAHLLOKOSA-N 2 2 381.973 2.858 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152453174 551433114 /nfs/dbraw/zinc/43/31/14/551433114.db2.gz OVGCQXXJCJDJMT-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152453174 551433116 /nfs/dbraw/zinc/43/31/16/551433116.db2.gz OVGCQXXJCJDJMT-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152453174 551433118 /nfs/dbraw/zinc/43/31/18/551433118.db2.gz OVGCQXXJCJDJMT-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152453174 551433120 /nfs/dbraw/zinc/43/31/20/551433120.db2.gz OVGCQXXJCJDJMT-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000164395497 551625267 /nfs/dbraw/zinc/62/52/67/551625267.db2.gz HGIAFGBHTSQCMB-MRXNPFEDSA-N 2 2 399.377 2.906 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(O)cc(Cl)cc3Cl)CC2)CC1 ZINC000175210763 552117516 /nfs/dbraw/zinc/11/75/16/552117516.db2.gz ZECAJZIRLMFFJD-UHFFFAOYSA-N 2 2 386.323 2.987 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000177151400 552150652 /nfs/dbraw/zinc/15/06/52/552150652.db2.gz IINLZBGNFVCAKH-UHFFFAOYSA-N 2 2 396.373 2.869 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2csc(Br)c2)CC1 ZINC000177153496 552150847 /nfs/dbraw/zinc/15/08/47/552150847.db2.gz CMDWEJGNUICXFI-ONEGZZNKSA-N 2 2 386.359 2.666 20 0 GFADLP C[N@H+](Cc1ccc(Br)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179696350 552200277 /nfs/dbraw/zinc/20/02/77/552200277.db2.gz HDVSDDWJTBPKKD-UHFFFAOYSA-N 2 2 396.358 2.684 20 0 GFADLP C[N@@H+](Cc1ccc(Br)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179696350 552200278 /nfs/dbraw/zinc/20/02/78/552200278.db2.gz HDVSDDWJTBPKKD-UHFFFAOYSA-N 2 2 396.358 2.684 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000181033041 552243642 /nfs/dbraw/zinc/24/36/42/552243642.db2.gz QJTKCVKBQGSASP-UKRRQHHQSA-N 2 2 386.323 2.577 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458642 552257204 /nfs/dbraw/zinc/25/72/04/552257204.db2.gz ADWIHDZBLUESNA-INIZCTEOSA-N 2 2 380.330 2.612 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458642 552257206 /nfs/dbraw/zinc/25/72/06/552257206.db2.gz ADWIHDZBLUESNA-INIZCTEOSA-N 2 2 380.330 2.612 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190972870 552515203 /nfs/dbraw/zinc/51/52/03/552515203.db2.gz WUPSQBZSZCWPCM-MRXNPFEDSA-N 2 2 386.323 2.799 20 0 GFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000246551380 553110109 /nfs/dbraw/zinc/11/01/09/553110109.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 2 2 383.330 2.747 20 0 GFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000246551380 553110110 /nfs/dbraw/zinc/11/01/10/553110110.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 2 2 383.330 2.747 20 0 GFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000246551380 553110111 /nfs/dbraw/zinc/11/01/11/553110111.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 2 2 383.330 2.747 20 0 GFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000246551380 553110114 /nfs/dbraw/zinc/11/01/14/553110114.db2.gz UDNLWCFJLLKDLQ-IXDOHACOSA-N 2 2 383.330 2.747 20 0 GFADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796072 553160001 /nfs/dbraw/zinc/16/00/01/553160001.db2.gz GOXGTVPYCUKEBU-HUUCEWRRSA-N 2 2 382.346 2.845 20 0 GFADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261796072 553160003 /nfs/dbraw/zinc/16/00/03/553160003.db2.gz GOXGTVPYCUKEBU-HUUCEWRRSA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418516897 563219181 /nfs/dbraw/zinc/21/91/81/563219181.db2.gz UBAUHSYVIBOIML-CZUORRHYSA-N 2 2 383.334 2.575 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115559 563234112 /nfs/dbraw/zinc/23/41/12/563234112.db2.gz XZYUZOKYJLQTFW-QAPCUYQASA-N 2 2 382.346 2.506 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370148674 563234995 /nfs/dbraw/zinc/23/49/95/563234995.db2.gz LWBVTIQZYZUARQ-ZMYBRWDISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370148674 563234996 /nfs/dbraw/zinc/23/49/96/563234996.db2.gz LWBVTIQZYZUARQ-ZMYBRWDISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(Br)cnn3C)c2)CCO1 ZINC000278495545 563259043 /nfs/dbraw/zinc/25/90/43/563259043.db2.gz MRXIFYLVOPQPTD-AWEZNQCLSA-N 2 2 393.329 2.693 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(Br)cnn3C)c2)CCO1 ZINC000278495545 563259046 /nfs/dbraw/zinc/25/90/46/563259046.db2.gz MRXIFYLVOPQPTD-AWEZNQCLSA-N 2 2 393.329 2.693 20 0 GFADLP [NH3+]C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000420381698 563262802 /nfs/dbraw/zinc/26/28/02/563262802.db2.gz ZEOBWUUFKGKBNT-INIZCTEOSA-N 2 2 389.359 2.720 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299415 563271825 /nfs/dbraw/zinc/27/18/25/563271825.db2.gz GPVAQOQBIDSMJK-VNQPRFMTSA-N 2 2 385.961 2.543 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299415 563271827 /nfs/dbraw/zinc/27/18/27/563271827.db2.gz GPVAQOQBIDSMJK-VNQPRFMTSA-N 2 2 385.961 2.543 20 0 GFADLP Brc1cccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422898883 563350126 /nfs/dbraw/zinc/35/01/26/563350126.db2.gz NEDLILHYQQNXHF-NIKGAXFTSA-N 2 2 394.357 2.632 20 0 GFADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361364 563360371 /nfs/dbraw/zinc/36/03/71/563360371.db2.gz AFIBQRIIWBXUFC-WQGACYEGSA-N 2 2 378.318 2.987 20 0 GFADLP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240066 563402966 /nfs/dbraw/zinc/40/29/66/563402966.db2.gz PVVSHVKUIJFROY-YJBOKZPZSA-N 2 2 383.330 2.527 20 0 GFADLP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240066 563402971 /nfs/dbraw/zinc/40/29/71/563402971.db2.gz PVVSHVKUIJFROY-YJBOKZPZSA-N 2 2 383.330 2.527 20 0 GFADLP C[C@@H](c1ncc(Br)cn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376552223 563446013 /nfs/dbraw/zinc/44/60/13/563446013.db2.gz JOWLDWIFKCBUKY-JTUUTPGSSA-N 2 2 394.361 2.543 20 0 GFADLP C[C@@H](c1ncc(Br)cn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376552223 563446015 /nfs/dbraw/zinc/44/60/15/563446015.db2.gz JOWLDWIFKCBUKY-JTUUTPGSSA-N 2 2 394.361 2.543 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657076 563482314 /nfs/dbraw/zinc/48/23/14/563482314.db2.gz TUAOHSOGSCVKJZ-DNVCBOLYSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000377657076 563482315 /nfs/dbraw/zinc/48/23/15/563482315.db2.gz TUAOHSOGSCVKJZ-DNVCBOLYSA-N 2 2 396.373 2.916 20 0 GFADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430580819 563545928 /nfs/dbraw/zinc/54/59/28/563545928.db2.gz NATKURHHCFHXLA-ZDUSSCGKSA-N 2 2 384.318 2.606 20 0 GFADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000431075471 563552940 /nfs/dbraw/zinc/55/29/40/563552940.db2.gz FEQQIBXBUHXQBN-UHFFFAOYSA-N 2 2 395.301 2.821 20 0 GFADLP CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[nH+]cc1Br ZINC000332152809 563580032 /nfs/dbraw/zinc/58/00/32/563580032.db2.gz IZXUJCZBUGELTI-LOWVWBTDSA-N 2 2 382.306 2.501 20 0 GFADLP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411175577 563608576 /nfs/dbraw/zinc/60/85/76/563608576.db2.gz DHSNOTHWGHWDOU-QGZVFWFLSA-N 2 2 379.595 2.610 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]cc1Br ZINC000333650179 563638179 /nfs/dbraw/zinc/63/81/79/563638179.db2.gz KGBYMRJVCYBBDH-GXTWGEPZSA-N 2 2 396.333 2.858 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]cc1Br ZINC000333650179 563638180 /nfs/dbraw/zinc/63/81/80/563638180.db2.gz KGBYMRJVCYBBDH-GXTWGEPZSA-N 2 2 396.333 2.858 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000289867680 563689394 /nfs/dbraw/zinc/68/93/94/563689394.db2.gz LODXPECGLIVSTF-ZDUSSCGKSA-N 2 2 376.302 2.604 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000289867680 563689397 /nfs/dbraw/zinc/68/93/97/563689397.db2.gz LODXPECGLIVSTF-ZDUSSCGKSA-N 2 2 376.302 2.604 20 0 GFADLP COCC(COC)[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000413474143 563694044 /nfs/dbraw/zinc/69/40/44/563694044.db2.gz MQHQTZVGVRLGQG-UHFFFAOYSA-N 2 2 394.313 2.781 20 0 GFADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000440692172 563748399 /nfs/dbraw/zinc/74/83/99/563748399.db2.gz KCNIMYNAZABMGI-GOSISDBHSA-N 2 2 378.567 2.764 20 0 GFADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431776 563752778 /nfs/dbraw/zinc/75/27/78/563752778.db2.gz FVGZKQQZBAAFJE-CYBMUJFWSA-N 2 2 377.480 2.943 20 0 GFADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431776 563752781 /nfs/dbraw/zinc/75/27/81/563752781.db2.gz FVGZKQQZBAAFJE-CYBMUJFWSA-N 2 2 377.480 2.943 20 0 GFADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431776 563752784 /nfs/dbraw/zinc/75/27/84/563752784.db2.gz FVGZKQQZBAAFJE-CYBMUJFWSA-N 2 2 377.480 2.943 20 0 GFADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431776 563752787 /nfs/dbraw/zinc/75/27/87/563752787.db2.gz FVGZKQQZBAAFJE-CYBMUJFWSA-N 2 2 377.480 2.943 20 0 GFADLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459092 563753697 /nfs/dbraw/zinc/75/36/97/563753697.db2.gz QSUQOLNIVBRPTR-OALUTQOASA-N 2 2 396.373 2.896 20 0 GFADLP Cc1nn(C)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Br ZINC000365949282 563796185 /nfs/dbraw/zinc/79/61/85/563796185.db2.gz ILPWAAXONASQNB-OKILXGFUSA-N 2 2 399.377 2.812 20 0 GFADLP Ic1cnc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)s1 ZINC000367522951 563846941 /nfs/dbraw/zinc/84/69/41/563846941.db2.gz KRMAKHFNTMWBBF-UHFFFAOYSA-N 2 2 397.245 2.618 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103592 563863791 /nfs/dbraw/zinc/86/37/91/563863791.db2.gz XEQZJBOHQIDAIK-BDAKNGLRSA-N 2 2 389.308 2.572 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103592 563863794 /nfs/dbraw/zinc/86/37/94/563863794.db2.gz XEQZJBOHQIDAIK-BDAKNGLRSA-N 2 2 389.308 2.572 20 0 GFADLP [NH3+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000416994142 563865209 /nfs/dbraw/zinc/86/52/09/563865209.db2.gz JMJJIOITVMJQAB-INIZCTEOSA-N 2 2 378.929 2.759 20 0 GFADLP [NH3+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000416994142 563865212 /nfs/dbraw/zinc/86/52/12/563865212.db2.gz JMJJIOITVMJQAB-INIZCTEOSA-N 2 2 378.929 2.759 20 0 GFADLP COC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCOCC1 ZINC000446890273 563869841 /nfs/dbraw/zinc/86/98/41/563869841.db2.gz ISOROZKBEGLIJR-QGZVFWFLSA-N 2 2 396.329 2.979 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])[nH+]c12 ZINC000418020720 563895429 /nfs/dbraw/zinc/89/54/29/563895429.db2.gz HBBGCWXEURUGQN-DOMZBBRYSA-N 2 2 394.317 2.817 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)[nH+]c12 ZINC000418027759 563896106 /nfs/dbraw/zinc/89/61/06/563896106.db2.gz XJUOQLVVHAXLDX-CHWSQXEVSA-N 2 2 394.317 2.674 20 0 GFADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384260 564182849 /nfs/dbraw/zinc/18/28/49/564182849.db2.gz APNAYLQEAQIYCM-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000449384260 564182852 /nfs/dbraw/zinc/18/28/52/564182852.db2.gz APNAYLQEAQIYCM-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395339 564184741 /nfs/dbraw/zinc/18/47/41/564184741.db2.gz POFMZZHRZBAYSJ-ZDUSSCGKSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395339 564184743 /nfs/dbraw/zinc/18/47/43/564184743.db2.gz POFMZZHRZBAYSJ-ZDUSSCGKSA-N 2 2 393.272 2.987 20 0 GFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601151 564192496 /nfs/dbraw/zinc/19/24/96/564192496.db2.gz QQYIYEXKFZIUJF-YSVLISHTSA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601151 564192500 /nfs/dbraw/zinc/19/25/00/564192500.db2.gz QQYIYEXKFZIUJF-YSVLISHTSA-N 2 2 385.346 2.539 20 0 GFADLP CN(C)c1cc(NCc2ccc(N3CCCC3)[nH+]c2)[nH+]cc1Br ZINC000449651407 564193276 /nfs/dbraw/zinc/19/32/76/564193276.db2.gz WFEWGKVQAJKLBE-UHFFFAOYSA-N 2 2 376.302 3.517 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202401 564213320 /nfs/dbraw/zinc/21/33/20/564213320.db2.gz HVDWVQHYAAFEDF-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000539202401 564213321 /nfs/dbraw/zinc/21/33/21/564213321.db2.gz HVDWVQHYAAFEDF-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+](C)C(C)C)[nH+]c12 ZINC000542769794 564325785 /nfs/dbraw/zinc/32/57/85/564325785.db2.gz PCYNODHZWWYPCD-UHFFFAOYSA-N 2 2 382.306 2.545 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+](C)C(C)C)[nH+]c12 ZINC000542769794 564325786 /nfs/dbraw/zinc/32/57/86/564325786.db2.gz PCYNODHZWWYPCD-UHFFFAOYSA-N 2 2 382.306 2.545 20 0 GFADLP COc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166922 564360030 /nfs/dbraw/zinc/36/00/30/564360030.db2.gz XLDIXGQBYRQRLS-ZDUSSCGKSA-N 2 2 399.329 2.654 20 0 GFADLP COc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(OC)c1 ZINC000567166922 564360032 /nfs/dbraw/zinc/36/00/32/564360032.db2.gz XLDIXGQBYRQRLS-ZDUSSCGKSA-N 2 2 399.329 2.654 20 0 GFADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544857878 564401908 /nfs/dbraw/zinc/40/19/08/564401908.db2.gz XBYVRQRQVOCVHC-MRXNPFEDSA-N 2 2 393.329 2.938 20 0 GFADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544857878 564401910 /nfs/dbraw/zinc/40/19/10/564401910.db2.gz XBYVRQRQVOCVHC-MRXNPFEDSA-N 2 2 393.329 2.938 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@@H](C[NH3+])C1 ZINC000568605853 564426658 /nfs/dbraw/zinc/42/66/58/564426658.db2.gz AFLKWHWCKIYHLX-LBPRGKRZSA-N 2 2 377.286 2.709 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@@H](C[NH3+])C1 ZINC000568605853 564426660 /nfs/dbraw/zinc/42/66/60/564426660.db2.gz AFLKWHWCKIYHLX-LBPRGKRZSA-N 2 2 377.286 2.709 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228114 564465077 /nfs/dbraw/zinc/46/50/77/564465077.db2.gz RLMMFOFDBGIMBO-BXUZGUMPSA-N 2 2 384.299 2.542 20 0 GFADLP CC[NH+](CC)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480334850 564468686 /nfs/dbraw/zinc/46/86/86/564468686.db2.gz NJQQYOXFRDNUOI-HNNXBMFYSA-N 2 2 389.359 2.989 20 0 GFADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000515650017 564484791 /nfs/dbraw/zinc/48/47/91/564484791.db2.gz ZWUBQBTZNZSEKG-VMGRFDJRSA-N 2 2 396.329 2.604 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)[nH+]c12 ZINC000570176194 564495230 /nfs/dbraw/zinc/49/52/30/564495230.db2.gz OYGCUACEXBOMFT-UHFFFAOYSA-N 2 2 379.302 2.753 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@H+]3CCC(C)(C)C3)[nH+]c12 ZINC000570176194 564495232 /nfs/dbraw/zinc/49/52/32/564495232.db2.gz OYGCUACEXBOMFT-UHFFFAOYSA-N 2 2 379.302 2.753 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000548155761 564534201 /nfs/dbraw/zinc/53/42/01/564534201.db2.gz SJDHBMUXENAGBN-HNNXBMFYSA-N 2 2 398.326 2.934 20 0 GFADLP CN(C)c1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)[nH+]cc1Br ZINC000455861758 564575745 /nfs/dbraw/zinc/57/57/45/564575745.db2.gz GXXBJJRZFCIFGB-UHFFFAOYSA-N 2 2 384.322 2.764 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)[nH+]cc1Br ZINC000455860695 564575841 /nfs/dbraw/zinc/57/58/41/564575841.db2.gz FWTNNWPHAVODIT-UHFFFAOYSA-N 2 2 394.317 2.778 20 0 GFADLP CC(C)([NH3+])c1noc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)n1 ZINC000520407912 564603447 /nfs/dbraw/zinc/60/34/47/564603447.db2.gz YHBNVKLNTCUZPA-UHFFFAOYSA-N 2 2 395.301 2.821 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573204011 564627999 /nfs/dbraw/zinc/62/79/99/564627999.db2.gz BOLIHLKQCNGSCM-CJNGLKHVSA-N 2 2 382.892 2.960 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573204011 564628000 /nfs/dbraw/zinc/62/80/00/564628000.db2.gz BOLIHLKQCNGSCM-CJNGLKHVSA-N 2 2 382.892 2.960 20 0 GFADLP O=C(C[NH2+]Cc1ccc(F)cc1Br)NCC[NH+]1CCCCCC1 ZINC000552064902 564675856 /nfs/dbraw/zinc/67/58/56/564675856.db2.gz XOSOOYYCXHTVQD-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457944374 564680731 /nfs/dbraw/zinc/68/07/31/564680731.db2.gz LCKPTFWQHUOXEV-OAHLLOKOSA-N 2 2 394.317 2.721 20 0 GFADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457944374 564680735 /nfs/dbraw/zinc/68/07/35/564680735.db2.gz LCKPTFWQHUOXEV-OAHLLOKOSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C[NH+](C)C ZINC000552239849 564682433 /nfs/dbraw/zinc/68/24/33/564682433.db2.gz VTCIVRFSDKTLNT-PBHICJAKSA-N 2 2 382.346 2.900 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000487312455 564682676 /nfs/dbraw/zinc/68/26/76/564682676.db2.gz RWBYTACEZCJHMO-UHFFFAOYSA-N 2 2 385.350 2.555 20 0 GFADLP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000575377384 564697780 /nfs/dbraw/zinc/69/77/80/564697780.db2.gz NOJMTHGLHGEISE-ZDUSSCGKSA-N 2 2 391.375 2.789 20 0 GFADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000576225560 564708477 /nfs/dbraw/zinc/70/84/77/564708477.db2.gz TUJJKEPLCLLNSD-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP CN(C)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)[nH+]cc1Br ZINC000577198051 564729324 /nfs/dbraw/zinc/72/93/24/564729324.db2.gz UJFVLZPHKKMQEM-UHFFFAOYSA-N 2 2 378.274 2.770 20 0 GFADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000528727274 564802897 /nfs/dbraw/zinc/80/28/97/564802897.db2.gz IZGFUPXAUQGMRV-KRWDZBQOSA-N 2 2 383.330 2.669 20 0 GFADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000462202243 564826575 /nfs/dbraw/zinc/82/65/75/564826575.db2.gz GFCRXFVRBBAVSI-MAUKXSAKSA-N 2 2 382.599 2.574 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574536 564853097 /nfs/dbraw/zinc/85/30/97/564853097.db2.gz GYOUPWOAADCJLR-KXBFYZLASA-N 2 2 396.373 2.583 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000582574536 564853100 /nfs/dbraw/zinc/85/31/00/564853100.db2.gz GYOUPWOAADCJLR-KXBFYZLASA-N 2 2 396.373 2.583 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441300 564892282 /nfs/dbraw/zinc/89/22/82/564892282.db2.gz VRTFLWWISANQDP-FVQBIDKESA-N 2 2 391.313 2.982 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@H]21 ZINC000583441300 564892284 /nfs/dbraw/zinc/89/22/84/564892284.db2.gz VRTFLWWISANQDP-FVQBIDKESA-N 2 2 391.313 2.982 20 0 GFADLP CN(c1ccccc1C[NH2+]Cc1n[nH]cc1Br)C1CC[NH+](C)CC1 ZINC000532359334 564935946 /nfs/dbraw/zinc/93/59/46/564935946.db2.gz BNJYYCGXHXKCKO-UHFFFAOYSA-N 2 2 392.345 2.992 20 0 GFADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949388 564941217 /nfs/dbraw/zinc/94/12/17/564941217.db2.gz DDPLJYFBKKZWPH-KRWDZBQOSA-N 2 2 380.330 2.972 20 0 GFADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949388 564941219 /nfs/dbraw/zinc/94/12/19/564941219.db2.gz DDPLJYFBKKZWPH-KRWDZBQOSA-N 2 2 380.330 2.972 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000560576076 564968261 /nfs/dbraw/zinc/96/82/61/564968261.db2.gz FIDKABRFFJSINM-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000560576076 564968264 /nfs/dbraw/zinc/96/82/64/564968264.db2.gz FIDKABRFFJSINM-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657468274 565102436 /nfs/dbraw/zinc/10/24/36/565102436.db2.gz HTPBRNCEBHRTOD-UHFFFAOYSA-N 2 2 397.292 2.999 20 0 GFADLP Brc1cnc2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103889 565185187 /nfs/dbraw/zinc/18/51/87/565185187.db2.gz CJQFOLFXZNWKGS-MRXNPFEDSA-N 2 2 378.318 2.942 20 0 GFADLP Brc1cnc2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103889 565185189 /nfs/dbraw/zinc/18/51/89/565185189.db2.gz CJQFOLFXZNWKGS-MRXNPFEDSA-N 2 2 378.318 2.942 20 0 GFADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151319 565186423 /nfs/dbraw/zinc/18/64/23/565186423.db2.gz CFRDFDQAITWHTC-OAHLLOKOSA-N 2 2 385.599 2.872 20 0 GFADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151319 565186430 /nfs/dbraw/zinc/18/64/30/565186430.db2.gz CFRDFDQAITWHTC-OAHLLOKOSA-N 2 2 385.599 2.872 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595599 565203796 /nfs/dbraw/zinc/20/37/96/565203796.db2.gz IUVKZHNPZCDPJC-GDBMZVCRSA-N 2 2 393.329 2.703 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1Br ZINC000638987513 565220106 /nfs/dbraw/zinc/22/01/06/565220106.db2.gz SCPDFZGCXHPAIS-UHFFFAOYSA-N 2 2 379.233 2.645 20 0 GFADLP COc1cc(Br)ccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986567 565220189 /nfs/dbraw/zinc/22/01/89/565220189.db2.gz UGUIZCQNVGLBOU-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639661289 565253388 /nfs/dbraw/zinc/25/33/88/565253388.db2.gz QOTGDVZLLWGOOL-INIZCTEOSA-N 2 2 391.339 2.558 20 0 GFADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670939 565254434 /nfs/dbraw/zinc/25/44/34/565254434.db2.gz JLPHTSUGDKXKDE-UHFFFAOYSA-N 2 2 377.373 2.746 20 0 GFADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000639670939 565254437 /nfs/dbraw/zinc/25/44/37/565254437.db2.gz JLPHTSUGDKXKDE-UHFFFAOYSA-N 2 2 377.373 2.746 20 0 GFADLP O[C@@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000639831724 565264430 /nfs/dbraw/zinc/26/44/30/565264430.db2.gz WYSNCWIJTMXJAG-QGZVFWFLSA-N 2 2 389.323 2.530 20 0 GFADLP C[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662313010 565360482 /nfs/dbraw/zinc/36/04/82/565360482.db2.gz JKPRSKXUNLFKJB-UKRRQHHQSA-N 2 2 393.333 2.764 20 0 GFADLP C[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662313010 565360489 /nfs/dbraw/zinc/36/04/89/565360489.db2.gz JKPRSKXUNLFKJB-UKRRQHHQSA-N 2 2 393.333 2.764 20 0 GFADLP C[NH2+][C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000662667123 565380849 /nfs/dbraw/zinc/38/08/49/565380849.db2.gz YATVACXQCKXBNH-DYVFJYSZSA-N 2 2 386.323 2.577 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548864 565435062 /nfs/dbraw/zinc/43/50/62/565435062.db2.gz WIJIVGWJXKOSFP-HIFRSBDPSA-N 2 2 399.354 2.932 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523604 565479978 /nfs/dbraw/zinc/47/99/78/565479978.db2.gz DYLCDYFBJHEKJC-MRXNPFEDSA-N 2 2 383.323 2.883 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523604 565479982 /nfs/dbraw/zinc/47/99/82/565479982.db2.gz DYLCDYFBJHEKJC-MRXNPFEDSA-N 2 2 383.323 2.883 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523601 565480863 /nfs/dbraw/zinc/48/08/63/565480863.db2.gz DYLCDYFBJHEKJC-INIZCTEOSA-N 2 2 383.323 2.883 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000644523601 565480866 /nfs/dbraw/zinc/48/08/66/565480866.db2.gz DYLCDYFBJHEKJC-INIZCTEOSA-N 2 2 383.323 2.883 20 0 GFADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631158 565486783 /nfs/dbraw/zinc/48/67/83/565486783.db2.gz HPBZBKQAEIKUCL-GOEBONIOSA-N 2 2 386.323 2.534 20 0 GFADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631158 565486786 /nfs/dbraw/zinc/48/67/86/565486786.db2.gz HPBZBKQAEIKUCL-GOEBONIOSA-N 2 2 386.323 2.534 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000666196945 565526766 /nfs/dbraw/zinc/52/67/66/565526766.db2.gz MECYPKCDJOEVRD-UHFFFAOYSA-N 2 2 388.737 2.745 20 0 GFADLP Cc1c(Br)cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1Br ZINC000623759568 565529453 /nfs/dbraw/zinc/52/94/53/565529453.db2.gz QGFXRWBOUGVBLR-GFCCVEGCSA-N 2 2 392.135 2.676 20 0 GFADLP Cc1c(Br)cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1Br ZINC000623759568 565529458 /nfs/dbraw/zinc/52/94/58/565529458.db2.gz QGFXRWBOUGVBLR-GFCCVEGCSA-N 2 2 392.135 2.676 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672880 /nfs/dbraw/zinc/67/28/80/565672880.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672884 /nfs/dbraw/zinc/67/28/84/565672884.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672888 /nfs/dbraw/zinc/67/28/88/565672888.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672892 /nfs/dbraw/zinc/67/28/92/565672892.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 2 385.346 2.566 20 0 GFADLP CC[C@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000669559433 565692260 /nfs/dbraw/zinc/69/22/60/565692260.db2.gz ZZUGYOFJVGSFAS-WFASDCNBSA-N 2 2 394.317 2.674 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1Br ZINC000631177391 565947089 /nfs/dbraw/zinc/94/70/89/565947089.db2.gz KOCIXMNOECQGNT-AWEZNQCLSA-N 2 2 387.293 2.940 20 0 GFADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000653653615 565975848 /nfs/dbraw/zinc/97/58/48/565975848.db2.gz VVSFVSRREPETBM-LBPRGKRZSA-N 2 2 384.322 2.904 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906978 565992719 /nfs/dbraw/zinc/99/27/19/565992719.db2.gz YNVVFQWINKDEMZ-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906978 565992722 /nfs/dbraw/zinc/99/27/22/565992722.db2.gz YNVVFQWINKDEMZ-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP CN(C(=O)c1ccc(F)c(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133444 566004850 /nfs/dbraw/zinc/00/48/50/566004850.db2.gz WOZDBCJVFIGSAB-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(F)c(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133444 566004855 /nfs/dbraw/zinc/00/48/55/566004855.db2.gz WOZDBCJVFIGSAB-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP OC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737157 566086223 /nfs/dbraw/zinc/08/62/23/566086223.db2.gz WGGACXAGOGIQAM-MSOLQXFVSA-N 2 2 383.330 2.716 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970603 566089044 /nfs/dbraw/zinc/08/90/44/566089044.db2.gz OFBKRDHCBVAWDP-MRXNPFEDSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970603 566089045 /nfs/dbraw/zinc/08/90/45/566089045.db2.gz OFBKRDHCBVAWDP-MRXNPFEDSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771274 566213416 /nfs/dbraw/zinc/21/34/16/566213416.db2.gz DMHFCQIRFUYCRX-CJNGLKHVSA-N 2 2 378.318 2.578 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771274 566213419 /nfs/dbraw/zinc/21/34/19/566213419.db2.gz DMHFCQIRFUYCRX-CJNGLKHVSA-N 2 2 378.318 2.578 20 0 GFADLP c1ccc(C[NH+]2CCC(Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cc1 ZINC000738433143 599254157 /nfs/dbraw/zinc/25/41/57/599254157.db2.gz OKFHHQQGRQXSKR-UHFFFAOYSA-N 2 2 385.475 2.913 20 0 GFADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822741041 607479660 /nfs/dbraw/zinc/47/96/60/607479660.db2.gz QLECWWAMJZISOU-QGZVFWFLSA-N 2 2 380.471 2.660 20 0 GFADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000822741041 607479661 /nfs/dbraw/zinc/47/96/61/607479661.db2.gz QLECWWAMJZISOU-QGZVFWFLSA-N 2 2 380.471 2.660 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451841 608316940 /nfs/dbraw/zinc/31/69/40/608316940.db2.gz LFEFOSQCKIMOLP-MAUKXSAKSA-N 2 2 394.527 2.523 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451841 608316942 /nfs/dbraw/zinc/31/69/42/608316942.db2.gz LFEFOSQCKIMOLP-MAUKXSAKSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451841 608316944 /nfs/dbraw/zinc/31/69/44/608316944.db2.gz LFEFOSQCKIMOLP-MAUKXSAKSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000825451841 608316946 /nfs/dbraw/zinc/31/69/46/608316946.db2.gz LFEFOSQCKIMOLP-MAUKXSAKSA-N 2 2 394.527 2.523 20 0 GFADLP CC1CC[NH+](C[C@H](O)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000067122368 654930777 /nfs/dbraw/zinc/93/07/77/654930777.db2.gz OPFOFBYQGCKJMA-GOSISDBHSA-N 2 2 395.341 2.907 20 0 GFADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000270672762 655052669 /nfs/dbraw/zinc/05/26/69/655052669.db2.gz RUBCJWRNXIVKCS-UHFFFAOYSA-N 2 2 392.301 2.700 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715554 655206176 /nfs/dbraw/zinc/20/61/76/655206176.db2.gz PLAJUVWTEPEUGB-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715554 655206181 /nfs/dbraw/zinc/20/61/81/655206181.db2.gz PLAJUVWTEPEUGB-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840024473 661125054 /nfs/dbraw/zinc/12/50/54/661125054.db2.gz BRAQTILHVIKOTR-KRWDZBQOSA-N 2 2 391.313 2.941 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000840024473 661125058 /nfs/dbraw/zinc/12/50/58/661125058.db2.gz BRAQTILHVIKOTR-KRWDZBQOSA-N 2 2 391.313 2.941 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077651 655457129 /nfs/dbraw/zinc/45/71/29/655457129.db2.gz LVBWAYILWSXSMF-RJCAOGMDSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cncc(Br)c1 ZINC000577077651 655457130 /nfs/dbraw/zinc/45/71/30/655457130.db2.gz LVBWAYILWSXSMF-RJCAOGMDSA-N 2 2 395.345 2.578 20 0 GFADLP CN(C(=O)/C=C\c1ccc(Br)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564173 655598019 /nfs/dbraw/zinc/59/80/19/655598019.db2.gz OZHSBHXZLLRIRL-ZDTYVGOBSA-N 2 2 396.329 2.682 20 0 GFADLP CN(C(=O)/C=C\c1ccc(Br)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564173 655598023 /nfs/dbraw/zinc/59/80/23/655598023.db2.gz OZHSBHXZLLRIRL-ZDTYVGOBSA-N 2 2 396.329 2.682 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779556 655888964 /nfs/dbraw/zinc/88/89/64/655888964.db2.gz KELJLTSVVZWWHC-AWEZNQCLSA-N 2 2 394.313 2.978 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779556 655888965 /nfs/dbraw/zinc/88/89/65/655888965.db2.gz KELJLTSVVZWWHC-AWEZNQCLSA-N 2 2 394.313 2.978 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000841173201 661241525 /nfs/dbraw/zinc/24/15/25/661241525.db2.gz HOBZSAAQXCECIO-IAGOWNOFSA-N 2 2 385.643 2.978 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000841173201 661241529 /nfs/dbraw/zinc/24/15/29/661241529.db2.gz HOBZSAAQXCECIO-IAGOWNOFSA-N 2 2 385.643 2.978 20 0 GFADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850492580 661779127 /nfs/dbraw/zinc/77/91/27/661779127.db2.gz FDOHPMQTGGPTPZ-ODCWNRFASA-N 2 2 376.488 2.983 20 0 GFADLP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000866594739 662482753 /nfs/dbraw/zinc/48/27/53/662482753.db2.gz MGZDSVRRALAYLO-LSDHHAIUSA-N 2 2 381.314 2.596 20 0 GFADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Br ZINC000877528519 662878252 /nfs/dbraw/zinc/87/82/52/662878252.db2.gz CWFZSBLPGJUMET-CYBMUJFWSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Br ZINC000877528519 662878253 /nfs/dbraw/zinc/87/82/53/662878253.db2.gz CWFZSBLPGJUMET-CYBMUJFWSA-N 2 2 378.270 2.959 20 0 GFADLP C[C@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153311 663363490 /nfs/dbraw/zinc/36/34/90/663363490.db2.gz NXIAHBBSYVJGQW-ZFWWWQNUSA-N 2 2 376.492 2.706 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153311 663363493 /nfs/dbraw/zinc/36/34/93/663363493.db2.gz NXIAHBBSYVJGQW-ZFWWWQNUSA-N 2 2 376.492 2.706 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806337 663767810 /nfs/dbraw/zinc/76/78/10/663767810.db2.gz KGELSEZVPTXYRR-KBPBESRZSA-N 2 2 377.476 2.824 20 0 GFADLP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC(F)F ZINC000903913481 663811108 /nfs/dbraw/zinc/81/11/08/663811108.db2.gz CTMNGABVAHBSAN-ZDUSSCGKSA-N 2 2 379.245 2.797 20 0 GFADLP COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@@H]([NH3+])CC(F)F ZINC000903913481 663811111 /nfs/dbraw/zinc/81/11/11/663811111.db2.gz CTMNGABVAHBSAN-ZDUSSCGKSA-N 2 2 379.245 2.797 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921787215 664568614 /nfs/dbraw/zinc/56/86/14/664568614.db2.gz LOVSZKKBRZZPNG-UHFFFAOYSA-N 2 2 378.318 2.997 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000128342498 551349178 /nfs/dbraw/zinc/34/91/78/551349178.db2.gz AWJMXWAPZIYYDH-KRWDZBQOSA-N 2 2 379.595 2.920 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000128342498 551349180 /nfs/dbraw/zinc/34/91/80/551349180.db2.gz AWJMXWAPZIYYDH-KRWDZBQOSA-N 2 2 379.595 2.920 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826878 551402167 /nfs/dbraw/zinc/40/21/67/551402167.db2.gz XJCRIEIPZFTKDR-MRXNPFEDSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826878 551402170 /nfs/dbraw/zinc/40/21/70/551402170.db2.gz XJCRIEIPZFTKDR-MRXNPFEDSA-N 2 2 394.357 2.825 20 0 GFADLP CCS(=O)(=O)N(C)CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156904733 551530693 /nfs/dbraw/zinc/53/06/93/551530693.db2.gz ICZVYCGGPQSWCO-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccc(Br)o2)([NH+]2CCCCC2)CC1 ZINC000172752656 551686559 /nfs/dbraw/zinc/68/65/59/551686559.db2.gz XBSDUSGHRQLJMC-UHFFFAOYSA-N 2 2 384.318 2.722 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000175443897 552121900 /nfs/dbraw/zinc/12/19/00/552121900.db2.gz XAHSIHPFQRRAPO-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2Cc3cccc(Br)c3C2)CC1 ZINC000185606143 552367012 /nfs/dbraw/zinc/36/70/12/552367012.db2.gz NKIPPRRMZRODLY-UHFFFAOYSA-N 2 2 395.345 2.500 20 0 GFADLP Brc1csc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261616583 553154088 /nfs/dbraw/zinc/15/40/88/553154088.db2.gz AVOZCSFDLHTODC-UHFFFAOYSA-N 2 2 382.331 2.585 20 0 GFADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777507 553159314 /nfs/dbraw/zinc/15/93/14/553159314.db2.gz XMKQPVHVHIVPLK-NSHDSACASA-N 2 2 391.730 2.565 20 0 GFADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777507 553159317 /nfs/dbraw/zinc/15/93/17/553159317.db2.gz XMKQPVHVHIVPLK-NSHDSACASA-N 2 2 391.730 2.565 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)n1C ZINC000419696549 563245999 /nfs/dbraw/zinc/24/59/99/563245999.db2.gz OTSSWMGNSNBFJN-UHFFFAOYSA-N 2 2 389.301 2.724 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(Br)cnn3C)c2)CCO1 ZINC000278495547 563259012 /nfs/dbraw/zinc/25/90/12/563259012.db2.gz MRXIFYLVOPQPTD-CQSZACIVSA-N 2 2 393.329 2.693 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(Br)cnn3C)c2)CCO1 ZINC000278495547 563259016 /nfs/dbraw/zinc/25/90/16/563259016.db2.gz MRXIFYLVOPQPTD-CQSZACIVSA-N 2 2 393.329 2.693 20 0 GFADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358221 563262543 /nfs/dbraw/zinc/26/25/43/563262543.db2.gz FDAZMLRRWXGIAQ-TVLCNXBWSA-N 2 2 376.245 2.642 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300590 563271252 /nfs/dbraw/zinc/27/12/52/563271252.db2.gz QCWKYXNIWIRBFJ-VNQPRFMTSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300590 563271254 /nfs/dbraw/zinc/27/12/54/563271254.db2.gz QCWKYXNIWIRBFJ-VNQPRFMTSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300588 563271339 /nfs/dbraw/zinc/27/13/39/563271339.db2.gz QCWKYXNIWIRBFJ-FVQBIDKESA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300588 563271342 /nfs/dbraw/zinc/27/13/42/563271342.db2.gz QCWKYXNIWIRBFJ-FVQBIDKESA-N 2 2 397.313 2.861 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000422005528 563327420 /nfs/dbraw/zinc/32/74/20/563327420.db2.gz JFKXBNCMTOVEEE-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Br)o3)CC2)CC1 ZINC000422005528 563327424 /nfs/dbraw/zinc/32/74/24/563327424.db2.gz JFKXBNCMTOVEEE-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000422011465 563327721 /nfs/dbraw/zinc/32/77/21/563327721.db2.gz UMVNJQHAGQCDAH-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc(Br)c3)CC2)CC1 ZINC000422011465 563327724 /nfs/dbraw/zinc/32/77/24/563327724.db2.gz UMVNJQHAGQCDAH-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP Brc1cccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422898884 563350190 /nfs/dbraw/zinc/35/01/90/563350190.db2.gz NEDLILHYQQNXHF-ZMYBRWDISA-N 2 2 394.357 2.632 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015084 563353304 /nfs/dbraw/zinc/35/33/04/563353304.db2.gz QJYNSXCRTMHBPR-AAEUAGOBSA-N 2 2 381.826 2.879 20 0 GFADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207034 563358564 /nfs/dbraw/zinc/35/85/64/563358564.db2.gz GKPVUKBJPVCCMT-OCCSQVGLSA-N 2 2 378.318 2.988 20 0 GFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281074236 563365747 /nfs/dbraw/zinc/36/57/47/563365747.db2.gz IOWXPLPIFQFTEN-LBPRGKRZSA-N 2 2 398.326 2.693 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510881 563408052 /nfs/dbraw/zinc/40/80/52/563408052.db2.gz DXAKAYOMAFLMOV-DYVFJYSZSA-N 2 2 378.567 2.629 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC(=O)NCc3cccs3)[C@H](C)C2)s1 ZINC000375510881 563408055 /nfs/dbraw/zinc/40/80/55/563408055.db2.gz DXAKAYOMAFLMOV-DYVFJYSZSA-N 2 2 378.567 2.629 20 0 GFADLP COc1cc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2cc1Br ZINC000425247840 563414596 /nfs/dbraw/zinc/41/45/96/563414596.db2.gz PJWJTSLUMTYCTJ-LBPRGKRZSA-N 2 2 378.270 2.527 20 0 GFADLP COc1cc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2cc1Br ZINC000425247840 563414597 /nfs/dbraw/zinc/41/45/97/563414597.db2.gz PJWJTSLUMTYCTJ-LBPRGKRZSA-N 2 2 378.270 2.527 20 0 GFADLP C[C@H]1CN(C(=O)Cc2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377260409 563469202 /nfs/dbraw/zinc/46/92/02/563469202.db2.gz YKUUHUQBANQSKZ-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@H]1CN(C(=O)Cc2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377260409 563469206 /nfs/dbraw/zinc/46/92/06/563469206.db2.gz YKUUHUQBANQSKZ-HNNXBMFYSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000377342966 563471835 /nfs/dbraw/zinc/47/18/35/563471835.db2.gz CFTCCPDIHRJWNX-AWEZNQCLSA-N 2 2 379.551 2.711 20 0 GFADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621221 563480918 /nfs/dbraw/zinc/48/09/18/563480918.db2.gz FQEINYCHUIRKST-INIZCTEOSA-N 2 2 382.346 2.757 20 0 GFADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621221 563480921 /nfs/dbraw/zinc/48/09/21/563480921.db2.gz FQEINYCHUIRKST-INIZCTEOSA-N 2 2 382.346 2.757 20 0 GFADLP Cc1ccc(Br)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378373994 563504362 /nfs/dbraw/zinc/50/43/62/563504362.db2.gz XFRAQJBJQRJZEM-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378373994 563504365 /nfs/dbraw/zinc/50/43/65/563504365.db2.gz XFRAQJBJQRJZEM-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000429672558 563521135 /nfs/dbraw/zinc/52/11/35/563521135.db2.gz ONDVGLGOQHPWFN-KRWDZBQOSA-N 2 2 386.323 2.531 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000429672558 563521136 /nfs/dbraw/zinc/52/11/36/563521136.db2.gz ONDVGLGOQHPWFN-KRWDZBQOSA-N 2 2 386.323 2.531 20 0 GFADLP C[C@@]1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375823 563595551 /nfs/dbraw/zinc/59/55/51/563595551.db2.gz RNCLAKZRDWKSOZ-GDBMZVCRSA-N 2 2 387.343 2.647 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000435381277 563649105 /nfs/dbraw/zinc/64/91/05/563649105.db2.gz VXUCLNFTRGUUFR-AWEZNQCLSA-N 2 2 399.329 2.741 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000435381277 563649107 /nfs/dbraw/zinc/64/91/07/563649107.db2.gz VXUCLNFTRGUUFR-AWEZNQCLSA-N 2 2 399.329 2.741 20 0 GFADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414062117 563717286 /nfs/dbraw/zinc/71/72/86/563717286.db2.gz ZYFPUDLMHKYJHZ-UHFFFAOYSA-N 2 2 391.313 2.804 20 0 GFADLP Cc1[nH]c[nH+]c1CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414062117 563717287 /nfs/dbraw/zinc/71/72/87/563717287.db2.gz ZYFPUDLMHKYJHZ-UHFFFAOYSA-N 2 2 391.313 2.804 20 0 GFADLP C[N@H+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000414269027 563723896 /nfs/dbraw/zinc/72/38/96/563723896.db2.gz UXDUJDFUZKKEBT-UHFFFAOYSA-N 2 2 381.929 2.599 20 0 GFADLP C[N@@H+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1 ZINC000414269027 563723898 /nfs/dbraw/zinc/72/38/98/563723898.db2.gz UXDUJDFUZKKEBT-UHFFFAOYSA-N 2 2 381.929 2.599 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000363749289 563732623 /nfs/dbraw/zinc/73/26/23/563732623.db2.gz SUVANTAQMDSGJW-IBGZPJMESA-N 2 2 382.595 2.551 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363783257 563733233 /nfs/dbraw/zinc/73/32/33/563733233.db2.gz JUQKDWNQSIPUGS-WBVHZDCISA-N 2 2 392.345 2.931 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363783257 563733235 /nfs/dbraw/zinc/73/32/35/563733235.db2.gz JUQKDWNQSIPUGS-WBVHZDCISA-N 2 2 392.345 2.931 20 0 GFADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414741721 563751561 /nfs/dbraw/zinc/75/15/61/563751561.db2.gz HQCBDQRHCDSJPG-UHFFFAOYSA-N 2 2 383.334 2.883 20 0 GFADLP CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000415046141 563757129 /nfs/dbraw/zinc/75/71/29/563757129.db2.gz WWGHLZPQGNRCRK-IWIIMEHWSA-N 2 2 390.119 2.918 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135255 563760383 /nfs/dbraw/zinc/76/03/83/563760383.db2.gz FUPCVZGXAZESHX-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415135255 563760386 /nfs/dbraw/zinc/76/03/86/563760386.db2.gz FUPCVZGXAZESHX-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP CN(C(=O)c1cc(F)ccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365221897 563778092 /nfs/dbraw/zinc/77/80/92/563778092.db2.gz IJNHFNLAGQSYLA-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(F)ccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365221897 563778093 /nfs/dbraw/zinc/77/80/93/563778093.db2.gz IJNHFNLAGQSYLA-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@]([NH3+])(C(=O)NCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000294110826 563831445 /nfs/dbraw/zinc/83/14/45/563831445.db2.gz OKWWKWMMPDXPDE-KRWDZBQOSA-N 2 2 377.286 2.636 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940027 563892162 /nfs/dbraw/zinc/89/21/62/563892162.db2.gz KWIAOMSBAPBWBB-BFHYXJOUSA-N 2 2 378.826 2.506 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940027 563892164 /nfs/dbraw/zinc/89/21/64/563892164.db2.gz KWIAOMSBAPBWBB-BFHYXJOUSA-N 2 2 378.826 2.506 20 0 GFADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679275 564195741 /nfs/dbraw/zinc/19/57/41/564195741.db2.gz HTHXSUBIBWVFGN-ZQIUZPCESA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449679275 564195743 /nfs/dbraw/zinc/19/57/43/564195743.db2.gz HTHXSUBIBWVFGN-ZQIUZPCESA-N 2 2 385.346 2.539 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Br)CC1 ZINC000507742306 564242152 /nfs/dbraw/zinc/24/21/52/564242152.db2.gz UWKSVUYLXWNIFA-OAHLLOKOSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058397 564424285 /nfs/dbraw/zinc/42/42/85/564424285.db2.gz JLBVCYQSHVTXPN-GARJFASQSA-N 2 2 380.341 2.774 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058397 564424289 /nfs/dbraw/zinc/42/42/89/564424289.db2.gz JLBVCYQSHVTXPN-GARJFASQSA-N 2 2 380.341 2.774 20 0 GFADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364952 564437146 /nfs/dbraw/zinc/43/71/46/564437146.db2.gz SJYKHUUGMVSKEH-MNOVXSKESA-N 2 2 380.341 2.633 20 0 GFADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364952 564437148 /nfs/dbraw/zinc/43/71/48/564437148.db2.gz SJYKHUUGMVSKEH-MNOVXSKESA-N 2 2 380.341 2.633 20 0 GFADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000515055215 564468135 /nfs/dbraw/zinc/46/81/35/564468135.db2.gz VMKZXCLJQLFPFF-MRXNPFEDSA-N 2 2 379.854 2.755 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH+](C(C)C)CC3)[nH+]c12 ZINC000546827211 564470350 /nfs/dbraw/zinc/47/03/50/564470350.db2.gz SXCHVUMUPRBYQF-UHFFFAOYSA-N 2 2 394.317 2.641 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000515414561 564478440 /nfs/dbraw/zinc/47/84/40/564478440.db2.gz JMCYTIGGDHINOJ-RKVPGOIHSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550600 564545270 /nfs/dbraw/zinc/54/52/70/564545270.db2.gz JNOWXLLDUFFLLP-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000482550600 564545272 /nfs/dbraw/zinc/54/52/72/564545272.db2.gz JNOWXLLDUFFLLP-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000483376144 564565534 /nfs/dbraw/zinc/56/55/34/564565534.db2.gz AZSSWQHARDMWFO-OAHLLOKOSA-N 2 2 382.346 2.996 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000572891527 564614982 /nfs/dbraw/zinc/61/49/82/564614982.db2.gz FTIFCHLZTQPQKU-SFHVURJKSA-N 2 2 387.977 2.738 20 0 GFADLP [NH3+][C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cscn1 ZINC000573203361 564628163 /nfs/dbraw/zinc/62/81/63/564628163.db2.gz BYJCQQZHOIRQDF-QGZVFWFLSA-N 2 2 378.929 2.825 20 0 GFADLP C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C[NH+](C)C ZINC000552239850 564682674 /nfs/dbraw/zinc/68/26/74/564682674.db2.gz VTCIVRFSDKTLNT-RHSMWYFYSA-N 2 2 382.346 2.900 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369037 564790724 /nfs/dbraw/zinc/79/07/24/564790724.db2.gz XNKZCWFBPMDKEY-QWRGUYRKSA-N 2 2 380.341 2.633 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369037 564790728 /nfs/dbraw/zinc/79/07/28/564790728.db2.gz XNKZCWFBPMDKEY-QWRGUYRKSA-N 2 2 380.341 2.633 20 0 GFADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000528727276 564802871 /nfs/dbraw/zinc/80/28/71/564802871.db2.gz IZGFUPXAUQGMRV-QGZVFWFLSA-N 2 2 383.330 2.669 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(SC)nc(SC)n3)CC2)CC1 ZINC000581895088 564821734 /nfs/dbraw/zinc/82/17/34/564821734.db2.gz SBICPRICTHRFMV-UHFFFAOYSA-N 2 2 381.615 2.917 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(SC)nc(SC)n3)CC2)CC1 ZINC000581895088 564821738 /nfs/dbraw/zinc/82/17/38/564821738.db2.gz SBICPRICTHRFMV-UHFFFAOYSA-N 2 2 381.615 2.917 20 0 GFADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411676 565018683 /nfs/dbraw/zinc/01/86/83/565018683.db2.gz QJXCIFLPNJHPDD-FUHWJXTLSA-N 2 2 392.341 2.939 20 0 GFADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411676 565018687 /nfs/dbraw/zinc/01/86/87/565018687.db2.gz QJXCIFLPNJHPDD-FUHWJXTLSA-N 2 2 392.341 2.939 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562208127 565020241 /nfs/dbraw/zinc/02/02/41/565020241.db2.gz QOBONLHGDVSZLQ-QMMMGPOBSA-N 2 2 386.091 2.977 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000562208127 565020244 /nfs/dbraw/zinc/02/02/44/565020244.db2.gz QOBONLHGDVSZLQ-QMMMGPOBSA-N 2 2 386.091 2.977 20 0 GFADLP Cc1cc(Br)cn2c(C[NH+]3CCC(OCCC[NH3+])CC3)cnc12 ZINC000469856173 565030653 /nfs/dbraw/zinc/03/06/53/565030653.db2.gz YWZREAOUHVIGEC-UHFFFAOYSA-N 2 2 381.318 2.735 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCC(OCCC[NH3+])CC3)c[nH+]c12 ZINC000469856173 565030657 /nfs/dbraw/zinc/03/06/57/565030657.db2.gz YWZREAOUHVIGEC-UHFFFAOYSA-N 2 2 381.318 2.735 20 0 GFADLP CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)c1 ZINC000562962313 565049025 /nfs/dbraw/zinc/04/90/25/565049025.db2.gz RZQJZVFWNFASCA-ZSYWTGECSA-N 2 2 376.909 2.640 20 0 GFADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671123 565206821 /nfs/dbraw/zinc/20/68/21/565206821.db2.gz MBSRHLXJWVQLBY-BLLLJJGKSA-N 2 2 385.580 2.630 20 0 GFADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671123 565206825 /nfs/dbraw/zinc/20/68/25/565206825.db2.gz MBSRHLXJWVQLBY-BLLLJJGKSA-N 2 2 385.580 2.630 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)ccc1Br ZINC000638987261 565219710 /nfs/dbraw/zinc/21/97/10/565219710.db2.gz NKDXGYTWHCYOKA-UHFFFAOYSA-N 2 2 379.233 2.645 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591275644 565221053 /nfs/dbraw/zinc/22/10/53/565221053.db2.gz OAKDZEMOCZPYQH-OAHLLOKOSA-N 2 2 399.329 2.931 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000617764368 565257233 /nfs/dbraw/zinc/25/72/33/565257233.db2.gz TVBCHPHXEMPOIE-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(Br)c1F ZINC000617764368 565257240 /nfs/dbraw/zinc/25/72/40/565257240.db2.gz TVBCHPHXEMPOIE-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1Cl ZINC000617767124 565257941 /nfs/dbraw/zinc/25/79/41/565257941.db2.gz HVTGAXWIOAZUDB-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1Cl ZINC000617767124 565257947 /nfs/dbraw/zinc/25/79/47/565257947.db2.gz HVTGAXWIOAZUDB-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000619742081 565357538 /nfs/dbraw/zinc/35/75/38/565357538.db2.gz NSPIUIWGSUCEEZ-RKVPGOIHSA-N 2 2 399.373 2.786 20 0 GFADLP [NH3+]C1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCCC1 ZINC000662648719 565381093 /nfs/dbraw/zinc/38/10/93/565381093.db2.gz NAWPSTIVTXQFJE-MRXNPFEDSA-N 2 2 380.330 2.974 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548863 565435138 /nfs/dbraw/zinc/43/51/38/565435138.db2.gz WIJIVGWJXKOSFP-DZGCQCFKSA-N 2 2 399.354 2.932 20 0 GFADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625555655 565638950 /nfs/dbraw/zinc/63/89/50/565638950.db2.gz WMECJTIHRJLDSH-HNNXBMFYSA-N 2 2 389.323 2.530 20 0 GFADLP C[N@H+](Cc1cc(Br)cc(Br)c1N)CC1C[NH+](C)C1 ZINC000668539559 565652226 /nfs/dbraw/zinc/65/22/26/565652226.db2.gz CWKZIKWQPNGMOC-UHFFFAOYSA-N 2 2 377.124 2.787 20 0 GFADLP Cc1c(Br)ccnc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000669400003 565686999 /nfs/dbraw/zinc/68/69/99/565686999.db2.gz VMTBYGFIXPXHCB-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1c(Br)ccnc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000669400003 565687007 /nfs/dbraw/zinc/68/70/07/565687007.db2.gz VMTBYGFIXPXHCB-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP COC1CC[NH+](CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000674336065 565870460 /nfs/dbraw/zinc/87/04/60/565870460.db2.gz XSLIOFAIBCWSKS-UHFFFAOYSA-N 2 2 381.314 2.925 20 0 GFADLP Brc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc2c1OCO2 ZINC000675432880 565901511 /nfs/dbraw/zinc/90/15/11/565901511.db2.gz GWPJUEVGKYWCRD-UHFFFAOYSA-N 2 2 376.254 2.895 20 0 GFADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886945 565920060 /nfs/dbraw/zinc/92/00/60/565920060.db2.gz PYLJYENOPBYASQ-MAUKXSAKSA-N 2 2 381.973 2.873 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]cc1Br ZINC000653651225 565975684 /nfs/dbraw/zinc/97/56/84/565975684.db2.gz CHHUTFYUWNTVRK-FUNVUKJBSA-N 2 2 396.333 2.999 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]cc1Br ZINC000653651225 565975689 /nfs/dbraw/zinc/97/56/89/565975689.db2.gz CHHUTFYUWNTVRK-FUNVUKJBSA-N 2 2 396.333 2.999 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000679832845 566055358 /nfs/dbraw/zinc/05/53/58/566055358.db2.gz TXTBYQQIPYWCSJ-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000679832845 566055362 /nfs/dbraw/zinc/05/53/62/566055362.db2.gz TXTBYQQIPYWCSJ-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736800859 598898774 /nfs/dbraw/zinc/89/87/74/598898774.db2.gz CUFFUTPLOUHSGG-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736800859 598898776 /nfs/dbraw/zinc/89/87/76/598898776.db2.gz CUFFUTPLOUHSGG-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821808333 599391183 /nfs/dbraw/zinc/39/11/83/599391183.db2.gz DRWJTVSHZBFJFH-UHFFFAOYSA-N 2 2 378.480 2.630 20 0 GFADLP C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604693 599592151 /nfs/dbraw/zinc/59/21/51/599592151.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604693 599592153 /nfs/dbraw/zinc/59/21/53/599592153.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604693 599592154 /nfs/dbraw/zinc/59/21/54/599592154.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604693 599592157 /nfs/dbraw/zinc/59/21/57/599592157.db2.gz BARUPQQURKWAPF-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP Cc1oc(C(=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000833024447 601156513 /nfs/dbraw/zinc/15/65/13/601156513.db2.gz BRENHSDUTHBAOV-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP Cc1oc(C(=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000833024447 601156516 /nfs/dbraw/zinc/15/65/16/601156516.db2.gz BRENHSDUTHBAOV-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP CCC[NH+]1CCC([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825328018 608314232 /nfs/dbraw/zinc/31/42/32/608314232.db2.gz NWFVNMAEWFKEJV-UHFFFAOYSA-N 2 2 394.527 2.667 20 0 GFADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825328018 608314234 /nfs/dbraw/zinc/31/42/34/608314234.db2.gz NWFVNMAEWFKEJV-UHFFFAOYSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)[nH+]1 ZINC000826269520 609232970 /nfs/dbraw/zinc/23/29/70/609232970.db2.gz ORGWPOWEPHISPF-BBRMVZONSA-N 2 2 396.474 2.732 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655879 609251489 /nfs/dbraw/zinc/25/14/89/609251489.db2.gz GJEJZUICOIHDES-CJNGLKHVSA-N 2 2 396.474 2.714 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000817286599 660188875 /nfs/dbraw/zinc/18/88/75/660188875.db2.gz VVEJJLRRVAEAIU-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(Br)n3)CC2)CC1 ZINC000817286599 660188877 /nfs/dbraw/zinc/18/88/77/660188877.db2.gz VVEJJLRRVAEAIU-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CCSc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)s1 ZINC000124615337 654779462 /nfs/dbraw/zinc/77/94/62/654779462.db2.gz IJVLSHBYDFIXGV-YIONKMFJSA-N 2 2 399.655 2.986 20 0 GFADLP CCSc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=S)s1 ZINC000124615337 654779465 /nfs/dbraw/zinc/77/94/65/654779465.db2.gz IJVLSHBYDFIXGV-YIONKMFJSA-N 2 2 399.655 2.986 20 0 GFADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000131634908 654911732 /nfs/dbraw/zinc/91/17/32/654911732.db2.gz WBQJQRTWHBBUGA-MRXNPFEDSA-N 2 2 379.595 2.920 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)oc2cc(Br)ccc21 ZINC000162795065 655133402 /nfs/dbraw/zinc/13/34/02/655133402.db2.gz GBQGMEAWDRVGSZ-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)oc2cc(Br)ccc21 ZINC000162795065 655133406 /nfs/dbraw/zinc/13/34/06/655133406.db2.gz GBQGMEAWDRVGSZ-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000273480494 655144951 /nfs/dbraw/zinc/14/49/51/655144951.db2.gz SNQCUQSLYGKDIF-GASCZTMLSA-N 2 2 388.961 2.723 20 0 GFADLP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000273480494 655144953 /nfs/dbraw/zinc/14/49/53/655144953.db2.gz SNQCUQSLYGKDIF-GASCZTMLSA-N 2 2 388.961 2.723 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973711 655257122 /nfs/dbraw/zinc/25/71/22/655257122.db2.gz XHYDXHNNEWWELL-IUODEOHRSA-N 2 2 386.359 2.891 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973711 655257124 /nfs/dbraw/zinc/25/71/24/655257124.db2.gz XHYDXHNNEWWELL-IUODEOHRSA-N 2 2 386.359 2.891 20 0 GFADLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cc(F)c1O ZINC000185647983 655365356 /nfs/dbraw/zinc/36/53/56/655365356.db2.gz UUVXSINFBNYHKE-LBPRGKRZSA-N 2 2 388.325 2.970 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574274200 655427713 /nfs/dbraw/zinc/42/77/13/655427713.db2.gz NYBZOQMQCSMHHK-PKOBYXMFSA-N 2 2 392.341 2.798 20 0 GFADLP COc1ccc(Cl)c(NC(=S)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000743000123 655724353 /nfs/dbraw/zinc/72/43/53/655724353.db2.gz PLGRTNCNMMZDTF-CYBMUJFWSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(Cl)c(NC(=S)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000743000123 655724355 /nfs/dbraw/zinc/72/43/55/655724355.db2.gz PLGRTNCNMMZDTF-CYBMUJFWSA-N 2 2 382.961 2.804 20 0 GFADLP O=c1c(Br)nn(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751279 655888394 /nfs/dbraw/zinc/88/83/94/655888394.db2.gz VNBAJQFKEGAWSV-AWEZNQCLSA-N 2 2 391.313 2.534 20 0 GFADLP O=c1c(Br)nn(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751279 655888395 /nfs/dbraw/zinc/88/83/95/655888395.db2.gz VNBAJQFKEGAWSV-AWEZNQCLSA-N 2 2 391.313 2.534 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766095533 656161329 /nfs/dbraw/zinc/16/13/29/656161329.db2.gz NVBBRLPOYUJEJG-UHFFFAOYSA-N 2 2 391.269 2.530 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766095533 656161332 /nfs/dbraw/zinc/16/13/32/656161332.db2.gz NVBBRLPOYUJEJG-UHFFFAOYSA-N 2 2 391.269 2.530 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3snc(Cl)c3Cl)CC2)CC1 ZINC000845351497 661467892 /nfs/dbraw/zinc/46/78/92/661467892.db2.gz NMOWMRZMPZSVJA-UHFFFAOYSA-N 2 2 377.341 2.738 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544620 662335980 /nfs/dbraw/zinc/33/59/80/662335980.db2.gz ZHEIUAHRBAMDEM-FUHWJXTLSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000863544620 662335982 /nfs/dbraw/zinc/33/59/82/662335982.db2.gz ZHEIUAHRBAMDEM-FUHWJXTLSA-N 2 2 378.314 2.778 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cccnc2Br)C1 ZINC000865524900 662426501 /nfs/dbraw/zinc/42/65/01/662426501.db2.gz PLGQMWWUJCHRGR-KRWDZBQOSA-N 2 2 376.298 2.701 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccnc2Br)C1 ZINC000865524900 662426506 /nfs/dbraw/zinc/42/65/06/662426506.db2.gz PLGQMWWUJCHRGR-KRWDZBQOSA-N 2 2 376.298 2.701 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892048 662867796 /nfs/dbraw/zinc/86/77/96/662867796.db2.gz GFHQAVLRJMUDBR-OADPDTJPSA-N 2 2 375.822 2.571 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892048 662867797 /nfs/dbraw/zinc/86/77/97/662867797.db2.gz GFHQAVLRJMUDBR-OADPDTJPSA-N 2 2 375.822 2.571 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996436 662869510 /nfs/dbraw/zinc/86/95/10/662869510.db2.gz VFQKBGWWUFHRRS-HNNXBMFYSA-N 2 2 380.945 2.982 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996436 662869511 /nfs/dbraw/zinc/86/95/11/662869511.db2.gz VFQKBGWWUFHRRS-HNNXBMFYSA-N 2 2 380.945 2.982 20 0 GFADLP COC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(Br)c1 ZINC000877758680 662882971 /nfs/dbraw/zinc/88/29/71/662882971.db2.gz KCLUZPJSDGYYCZ-QGZVFWFLSA-N 2 2 385.346 2.962 20 0 GFADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000880468938 662960584 /nfs/dbraw/zinc/96/05/84/662960584.db2.gz DRDGUUVTNJVFLO-MRXNPFEDSA-N 2 2 383.330 2.749 20 0 GFADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451744 664630800 /nfs/dbraw/zinc/63/08/00/664630800.db2.gz CLXVYRBWWAWMAO-KBPBESRZSA-N 2 2 396.329 2.606 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CCC3(COC3)O2)o1 ZINC000930447241 664770614 /nfs/dbraw/zinc/77/06/14/664770614.db2.gz WWZPRQNACNEWSR-OAHLLOKOSA-N 2 2 396.285 2.689 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CCC3(COC3)O2)o1 ZINC000930447241 664770617 /nfs/dbraw/zinc/77/06/17/664770617.db2.gz WWZPRQNACNEWSR-OAHLLOKOSA-N 2 2 396.285 2.689 20 0 GFADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577015 664829323 /nfs/dbraw/zinc/82/93/23/664829323.db2.gz IMIWZLCNLCVTJI-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577015 664829324 /nfs/dbraw/zinc/82/93/24/664829324.db2.gz IMIWZLCNLCVTJI-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP Brc1ccoc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390656753 677408723 /nfs/dbraw/zinc/40/87/23/677408723.db2.gz KWMVCMKZBNMSHQ-UHFFFAOYSA-N 2 2 378.314 2.950 20 0 GFADLP [NH3+]C1([C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621838 719116044 /nfs/dbraw/zinc/11/60/44/719116044.db2.gz BDOSTAZOVRIZKP-MJGOQNOKSA-N 2 2 381.499 2.548 20 0 GFADLP [NH3+]C1([C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621838 719116053 /nfs/dbraw/zinc/11/60/53/719116053.db2.gz BDOSTAZOVRIZKP-MJGOQNOKSA-N 2 2 381.499 2.548 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806404 720066243 /nfs/dbraw/zinc/06/62/43/720066243.db2.gz CBXUKAHJECFEQX-UGKGYDQZSA-N 2 2 385.556 2.792 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806404 720066250 /nfs/dbraw/zinc/06/62/50/720066250.db2.gz CBXUKAHJECFEQX-UGKGYDQZSA-N 2 2 385.556 2.792 20 0 GFADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164725422 720315956 /nfs/dbraw/zinc/31/59/56/720315956.db2.gz VJOQARNSVRGJES-HXUWFJFHSA-N 2 2 396.539 2.693 20 0 GFADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164725422 720315960 /nfs/dbraw/zinc/31/59/60/720315960.db2.gz VJOQARNSVRGJES-HXUWFJFHSA-N 2 2 396.539 2.693 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835918 720587204 /nfs/dbraw/zinc/58/72/04/720587204.db2.gz CRXRNEJDMVQLER-XUVXKRRUSA-N 2 2 396.539 2.923 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835918 720587206 /nfs/dbraw/zinc/58/72/06/720587206.db2.gz CRXRNEJDMVQLER-XUVXKRRUSA-N 2 2 396.539 2.923 20 0 GFADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164739076 720594448 /nfs/dbraw/zinc/59/44/48/720594448.db2.gz DWEZBLZXDVFFKZ-UHFFFAOYSA-N 2 2 376.508 2.907 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749967 720880156 /nfs/dbraw/zinc/88/01/56/720880156.db2.gz IEVBPFMBSIOIIZ-NZQKXSOJSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749967 720880157 /nfs/dbraw/zinc/88/01/57/720880157.db2.gz IEVBPFMBSIOIIZ-NZQKXSOJSA-N 2 2 393.535 2.814 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164900471 721508216 /nfs/dbraw/zinc/50/82/16/721508216.db2.gz REXGVWFTCCKXCC-ICSRJNTNSA-N 2 2 397.498 2.866 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164900471 721508220 /nfs/dbraw/zinc/50/82/20/721508220.db2.gz REXGVWFTCCKXCC-ICSRJNTNSA-N 2 2 397.498 2.866 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179200189 552186749 /nfs/dbraw/zinc/18/67/49/552186749.db2.gz DUBCMRORLUUZIO-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP O[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)COc1ccccc1Br ZINC000179429742 552192704 /nfs/dbraw/zinc/19/27/04/552192704.db2.gz ZDKMRCASFRXBAT-AWEZNQCLSA-N 2 2 376.254 2.626 20 0 GFADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183188107 552302496 /nfs/dbraw/zinc/30/24/96/552302496.db2.gz LEOBGSCEFLCUSZ-CQSZACIVSA-N 2 2 392.301 2.781 20 0 GFADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183188107 552302498 /nfs/dbraw/zinc/30/24/98/552302498.db2.gz LEOBGSCEFLCUSZ-CQSZACIVSA-N 2 2 392.301 2.781 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCSC[C@H](C)C3)n2)CC1 ZINC000190430100 552496111 /nfs/dbraw/zinc/49/61/11/552496111.db2.gz HYAUNFBLMFXHQS-OAHLLOKOSA-N 2 2 382.599 2.998 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCSC[C@H](C)C3)n2)CC1 ZINC000190430100 552496114 /nfs/dbraw/zinc/49/61/14/552496114.db2.gz HYAUNFBLMFXHQS-OAHLLOKOSA-N 2 2 382.599 2.998 20 0 GFADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236639058 553069924 /nfs/dbraw/zinc/06/99/24/553069924.db2.gz CRSMBRMENJXGIS-CQDKDKBSSA-N 2 2 377.286 2.634 20 0 GFADLP C[NH2+]CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000237237510 553076170 /nfs/dbraw/zinc/07/61/70/553076170.db2.gz TZCIZMZCONPUTC-KRWDZBQOSA-N 2 2 375.563 2.905 20 0 GFADLP C[NH2+]CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000237237510 553076173 /nfs/dbraw/zinc/07/61/73/553076173.db2.gz TZCIZMZCONPUTC-KRWDZBQOSA-N 2 2 375.563 2.905 20 0 GFADLP FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262151611 553166545 /nfs/dbraw/zinc/16/65/45/553166545.db2.gz RGFXYTUZLTYDQH-CYBMUJFWSA-N 2 2 390.272 2.530 20 0 GFADLP FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262151611 553166546 /nfs/dbraw/zinc/16/65/46/553166546.db2.gz RGFXYTUZLTYDQH-CYBMUJFWSA-N 2 2 390.272 2.530 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418413109 563217097 /nfs/dbraw/zinc/21/70/97/563217097.db2.gz JBACZBLTMPHIDT-MRXNPFEDSA-N 2 2 397.361 2.965 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000419694387 563246122 /nfs/dbraw/zinc/24/61/22/563246122.db2.gz QAEJPYVTZOXBEZ-OAHLLOKOSA-N 2 2 382.295 2.688 20 0 GFADLP CCn1cc(Br)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839750 563257603 /nfs/dbraw/zinc/25/76/03/563257603.db2.gz RNQNUISWGPUEBJ-INIZCTEOSA-N 2 2 397.361 2.511 20 0 GFADLP CCn1cc(Br)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839750 563257607 /nfs/dbraw/zinc/25/76/07/563257607.db2.gz RNQNUISWGPUEBJ-INIZCTEOSA-N 2 2 397.361 2.511 20 0 GFADLP O=C1[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348382 563261812 /nfs/dbraw/zinc/26/18/12/563261812.db2.gz LETVBYPURRHICN-SJLPKXTDSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348382 563261817 /nfs/dbraw/zinc/26/18/17/563261817.db2.gz LETVBYPURRHICN-SJLPKXTDSA-N 2 2 378.314 2.630 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365852 563262671 /nfs/dbraw/zinc/26/26/71/563262671.db2.gz SUSKAWIFOWVZRV-KRWDZBQOSA-N 2 2 382.346 2.905 20 0 GFADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358212 563262935 /nfs/dbraw/zinc/26/29/35/563262935.db2.gz FDAZMLRRWXGIAQ-ITMYJUKJSA-N 2 2 376.245 2.642 20 0 GFADLP CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371974579 563292955 /nfs/dbraw/zinc/29/29/55/563292955.db2.gz PQXRIFJRTGRYGE-CQSZACIVSA-N 2 2 386.323 2.940 20 0 GFADLP CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371974579 563292961 /nfs/dbraw/zinc/29/29/61/563292961.db2.gz PQXRIFJRTGRYGE-CQSZACIVSA-N 2 2 386.323 2.940 20 0 GFADLP Cn1c[nH+]cc1CCC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000279709370 563307060 /nfs/dbraw/zinc/30/70/60/563307060.db2.gz SIBMGQGMWBTEAQ-UHFFFAOYSA-N 2 2 393.329 2.706 20 0 GFADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280066052 563321303 /nfs/dbraw/zinc/32/13/03/563321303.db2.gz KTHQABUJWYHHJK-SNVBAGLBSA-N 2 2 380.341 2.776 20 0 GFADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423051130 563354245 /nfs/dbraw/zinc/35/42/45/563354245.db2.gz ZWMQLYUQOFYUTF-CXAGYDPISA-N 2 2 376.298 2.936 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1Br ZINC000423482246 563361427 /nfs/dbraw/zinc/36/14/27/563361427.db2.gz RHJVCLSDZLUMTC-PWSUYJOCSA-N 2 2 391.151 2.766 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256358 563366229 /nfs/dbraw/zinc/36/62/29/563366229.db2.gz VRNDVXRRMRGZAC-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(F)cc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256358 563366231 /nfs/dbraw/zinc/36/62/31/563366231.db2.gz VRNDVXRRMRGZAC-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])[nH+]c12 ZINC000424463345 563379249 /nfs/dbraw/zinc/37/92/49/563379249.db2.gz NZMQHPREUGLYAL-HUUCEWRRSA-N 2 2 394.317 2.517 20 0 GFADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCn1cc[nH+]c1 ZINC000425100201 563404147 /nfs/dbraw/zinc/40/41/47/563404147.db2.gz SPWSTXXPWHJKCG-UHFFFAOYSA-N 2 2 394.317 2.672 20 0 GFADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2Br ZINC000375504662 563407506 /nfs/dbraw/zinc/40/75/06/563407506.db2.gz HWVVCROVRVMVPR-HDMKZQKVSA-N 2 2 389.297 2.779 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(F)c(Br)c1 ZINC000375512388 563407843 /nfs/dbraw/zinc/40/78/43/563407843.db2.gz NFLACQOGXCYGMQ-LGFNAOKASA-N 2 2 395.276 2.992 20 0 GFADLP C[C@H](c1ccsc1)[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302823062 563430250 /nfs/dbraw/zinc/43/02/50/563430250.db2.gz FIULAHSJQZCUMD-OAHLLOKOSA-N 2 2 375.567 2.975 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657078 563482229 /nfs/dbraw/zinc/48/22/29/563482229.db2.gz TUAOHSOGSCVKJZ-KXBFYZLASA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657078 563482234 /nfs/dbraw/zinc/48/22/34/563482234.db2.gz TUAOHSOGSCVKJZ-KXBFYZLASA-N 2 2 396.373 2.916 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000332622070 563607994 /nfs/dbraw/zinc/60/79/94/563607994.db2.gz CFUPIJUDXVIDEJ-LBPRGKRZSA-N 2 2 377.286 2.908 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[nH+]cc1Br ZINC000333646422 563637828 /nfs/dbraw/zinc/63/78/28/563637828.db2.gz JTZGKPJSFGXVTD-KRWDZBQOSA-N 2 2 396.333 2.860 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]cc1Br ZINC000333646422 563637831 /nfs/dbraw/zinc/63/78/31/563637831.db2.gz JTZGKPJSFGXVTD-KRWDZBQOSA-N 2 2 396.333 2.860 20 0 GFADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cc2c(cc1Br)OCCO2 ZINC000414293075 563725339 /nfs/dbraw/zinc/72/53/39/563725339.db2.gz MBTGKNJYCDYEFA-NSHDSACASA-N 2 2 395.301 2.871 20 0 GFADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[NH+](C)C)cc1 ZINC000414305221 563725386 /nfs/dbraw/zinc/72/53/86/563725386.db2.gz PSWJTSQDRMDQOP-QGZVFWFLSA-N 2 2 381.929 2.688 20 0 GFADLP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc(I)c1OC ZINC000414838996 563753981 /nfs/dbraw/zinc/75/39/81/563753981.db2.gz LFZBFNSHQJIYPM-LBPRGKRZSA-N 2 2 392.281 2.771 20 0 GFADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021638 563756977 /nfs/dbraw/zinc/75/69/77/563756977.db2.gz CFVOGLNOFQFCEM-PJXYFTJBSA-N 2 2 390.119 2.918 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129754 563760549 /nfs/dbraw/zinc/76/05/49/563760549.db2.gz POSJMVYQBVOXDK-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129754 563760552 /nfs/dbraw/zinc/76/05/52/563760552.db2.gz POSJMVYQBVOXDK-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773463 563795453 /nfs/dbraw/zinc/79/54/53/563795453.db2.gz KSVSWZPQOUCGTL-IBGZPJMESA-N 2 2 394.357 2.813 20 0 GFADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773463 563795457 /nfs/dbraw/zinc/79/54/57/563795457.db2.gz KSVSWZPQOUCGTL-IBGZPJMESA-N 2 2 394.357 2.813 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773463 563795461 /nfs/dbraw/zinc/79/54/61/563795461.db2.gz KSVSWZPQOUCGTL-IBGZPJMESA-N 2 2 394.357 2.813 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773463 563795463 /nfs/dbraw/zinc/79/54/63/563795463.db2.gz KSVSWZPQOUCGTL-IBGZPJMESA-N 2 2 394.357 2.813 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(N2CCOCC2)c1 ZINC000368089186 563863284 /nfs/dbraw/zinc/86/32/84/563863284.db2.gz KCQXUYNHBVKSDG-HNNXBMFYSA-N 2 2 391.313 2.656 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(N2CCOCC2)c1 ZINC000368089186 563863286 /nfs/dbraw/zinc/86/32/86/563863286.db2.gz KCQXUYNHBVKSDG-HNNXBMFYSA-N 2 2 391.313 2.656 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)c[nH+]c12 ZINC000368500839 563872245 /nfs/dbraw/zinc/87/22/45/563872245.db2.gz YPHAMYDBBDTWFN-HOCLYGCPSA-N 2 2 377.286 2.552 20 0 GFADLP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000417576727 563883890 /nfs/dbraw/zinc/88/38/90/563883890.db2.gz VHKZUKMBQMCTHF-ZDUSSCGKSA-N 2 2 385.339 2.961 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449598935 564191278 /nfs/dbraw/zinc/19/12/78/564191278.db2.gz JMXLZKCOBMUXIX-CWRNSKLLSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449598935 564191282 /nfs/dbraw/zinc/19/12/82/564191282.db2.gz JMXLZKCOBMUXIX-CWRNSKLLSA-N 2 2 397.357 2.824 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164659 564240902 /nfs/dbraw/zinc/24/09/02/564240902.db2.gz VZYDHQUOTMURNW-KSSFIOAISA-N 2 2 394.357 2.858 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164659 564240903 /nfs/dbraw/zinc/24/09/03/564240903.db2.gz VZYDHQUOTMURNW-KSSFIOAISA-N 2 2 394.357 2.858 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564922272 564257007 /nfs/dbraw/zinc/25/70/07/564257007.db2.gz PMGHVTJKOYAICB-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP Cn1cc(Br)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088697 564308535 /nfs/dbraw/zinc/30/85/35/564308535.db2.gz ZCVLTZDCRUWJRG-RHSMWYFYSA-N 2 2 377.286 2.528 20 0 GFADLP CC(C)OC[C@@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934574 564350547 /nfs/dbraw/zinc/35/05/47/564350547.db2.gz GPAIZGMIISZOJH-AWEZNQCLSA-N 2 2 386.290 2.527 20 0 GFADLP CC(C)OC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934574 564350551 /nfs/dbraw/zinc/35/05/51/564350551.db2.gz GPAIZGMIISZOJH-AWEZNQCLSA-N 2 2 386.290 2.527 20 0 GFADLP CCN(CC)C(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510932083 564350664 /nfs/dbraw/zinc/35/06/64/564350664.db2.gz ADJSSXLERNKEPB-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP CCN(CC)C(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510932083 564350668 /nfs/dbraw/zinc/35/06/68/564350668.db2.gz ADJSSXLERNKEPB-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483111 564373714 /nfs/dbraw/zinc/37/37/14/564373714.db2.gz KZBSNXXJCOPKIY-INIZCTEOSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483111 564373718 /nfs/dbraw/zinc/37/37/18/564373718.db2.gz KZBSNXXJCOPKIY-INIZCTEOSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483111 564373722 /nfs/dbraw/zinc/37/37/22/564373722.db2.gz KZBSNXXJCOPKIY-INIZCTEOSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483111 564373726 /nfs/dbraw/zinc/37/37/26/564373726.db2.gz KZBSNXXJCOPKIY-INIZCTEOSA-N 2 2 391.325 2.738 20 0 GFADLP COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(Br)c1 ZINC000567673753 564382500 /nfs/dbraw/zinc/38/25/00/564382500.db2.gz GFFUZRDTIZJDHW-NSHDSACASA-N 2 2 394.317 2.894 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C)CC[NH+](C)C)[nH+]c12 ZINC000544682888 564394284 /nfs/dbraw/zinc/39/42/84/564394284.db2.gz RXFDYJPTPZPPBO-CYBMUJFWSA-N 2 2 396.333 2.587 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512415888 564400878 /nfs/dbraw/zinc/40/08/78/564400878.db2.gz PRFDUGHEQPLXHY-JBWBJNFZSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@@]1=O ZINC000512415888 564400882 /nfs/dbraw/zinc/40/08/82/564400882.db2.gz PRFDUGHEQPLXHY-JBWBJNFZSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512415888 564400884 /nfs/dbraw/zinc/40/08/84/564400884.db2.gz PRFDUGHEQPLXHY-JBWBJNFZSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@@]1=O ZINC000512415888 564400887 /nfs/dbraw/zinc/40/08/87/564400887.db2.gz PRFDUGHEQPLXHY-JBWBJNFZSA-N 2 2 390.659 2.620 20 0 GFADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546113849 564445779 /nfs/dbraw/zinc/44/57/79/564445779.db2.gz FTDRNVXQPMRIGC-HNNXBMFYSA-N 2 2 379.302 2.896 20 0 GFADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546113849 564445784 /nfs/dbraw/zinc/44/57/84/564445784.db2.gz FTDRNVXQPMRIGC-HNNXBMFYSA-N 2 2 379.302 2.896 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186000 564496131 /nfs/dbraw/zinc/49/61/31/564496131.db2.gz UKMZCSCNKSGFPN-KGLIPLIRSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186000 564496133 /nfs/dbraw/zinc/49/61/33/564496133.db2.gz UKMZCSCNKSGFPN-KGLIPLIRSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186000 564496136 /nfs/dbraw/zinc/49/61/36/564496136.db2.gz UKMZCSCNKSGFPN-KGLIPLIRSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186000 564496138 /nfs/dbraw/zinc/49/61/38/564496138.db2.gz UKMZCSCNKSGFPN-KGLIPLIRSA-N 2 2 377.476 2.877 20 0 GFADLP O=C([C@@H]1CCC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000570396024 564503431 /nfs/dbraw/zinc/50/34/31/564503431.db2.gz UWVCKVQZYJKUEV-OAHLLOKOSA-N 2 2 391.313 2.674 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)n1C ZINC000519347505 564575060 /nfs/dbraw/zinc/57/50/60/564575060.db2.gz RWNHHUVBWGCJIY-UHFFFAOYSA-N 2 2 376.814 2.755 20 0 GFADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000572099466 564581019 /nfs/dbraw/zinc/58/10/19/564581019.db2.gz SEBFUFQNSVSMBH-UHFFFAOYSA-N 2 2 391.313 2.506 20 0 GFADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+]1CC(C)C1 ZINC000572255696 564587289 /nfs/dbraw/zinc/58/72/89/564587289.db2.gz RUXFWILJYJYBEB-CQSZACIVSA-N 2 2 395.301 2.608 20 0 GFADLP Cc1cc(Br)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000573608520 564646424 /nfs/dbraw/zinc/64/64/24/564646424.db2.gz ULSOOTNWMGLNKD-UHFFFAOYSA-N 2 2 396.358 2.893 20 0 GFADLP C[C@@H]([NH3+])CCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000573918607 564659955 /nfs/dbraw/zinc/65/99/55/564659955.db2.gz UUTKAACNSFJDGR-CQSZACIVSA-N 2 2 379.302 2.802 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781203 564663284 /nfs/dbraw/zinc/66/32/84/564663284.db2.gz QMLZOFVHQCYSMX-LRDDRELGSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781203 564663286 /nfs/dbraw/zinc/66/32/86/564663286.db2.gz QMLZOFVHQCYSMX-LRDDRELGSA-N 2 2 378.460 2.929 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2cc(Br)co2)([NH+]2CCCCC2)CC1 ZINC000457620801 564667317 /nfs/dbraw/zinc/66/73/17/564667317.db2.gz QATYOJPKSAYIMY-UHFFFAOYSA-N 2 2 384.318 2.722 20 0 GFADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457943587 564680442 /nfs/dbraw/zinc/68/04/42/564680442.db2.gz KGPIVIDKJVRTRI-CYBMUJFWSA-N 2 2 394.317 2.628 20 0 GFADLP C[N@H+]1CCC[C@H](CCNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457943587 564680445 /nfs/dbraw/zinc/68/04/45/564680445.db2.gz KGPIVIDKJVRTRI-CYBMUJFWSA-N 2 2 394.317 2.628 20 0 GFADLP C[C@H]1C[N@H+](Cc2cccc(O)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459341908 564741390 /nfs/dbraw/zinc/74/13/90/564741390.db2.gz OUOCYEBCTWHNGN-HOCLYGCPSA-N 2 2 382.346 2.613 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cccc(O)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459341908 564741395 /nfs/dbraw/zinc/74/13/95/564741395.db2.gz OUOCYEBCTWHNGN-HOCLYGCPSA-N 2 2 382.346 2.613 20 0 GFADLP Brc1ccccc1-c1cnc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000489855574 564755718 /nfs/dbraw/zinc/75/57/18/564755718.db2.gz FBGOAHPKGAMYMQ-AWEZNQCLSA-N 2 2 391.313 2.584 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000582574529 564852861 /nfs/dbraw/zinc/85/28/61/564852861.db2.gz GYOUPWOAADCJLR-BEFAXECRSA-N 2 2 396.373 2.583 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000582574529 564852864 /nfs/dbraw/zinc/85/28/64/564852864.db2.gz GYOUPWOAADCJLR-BEFAXECRSA-N 2 2 396.373 2.583 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495774790 564856798 /nfs/dbraw/zinc/85/67/98/564856798.db2.gz MXQUKDIVGZTKOD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495774790 564856800 /nfs/dbraw/zinc/85/68/00/564856800.db2.gz MXQUKDIVGZTKOD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000464955588 564921690 /nfs/dbraw/zinc/92/16/90/564921690.db2.gz WPRGTUNUMKSATC-IUODEOHRSA-N 2 2 394.317 2.625 20 0 GFADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000464955588 564921693 /nfs/dbraw/zinc/92/16/93/564921693.db2.gz WPRGTUNUMKSATC-IUODEOHRSA-N 2 2 394.317 2.625 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988242 564951660 /nfs/dbraw/zinc/95/16/60/564951660.db2.gz IIUKMTKHUGRCAM-CJNGLKHVSA-N 2 2 393.329 2.762 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988242 564951663 /nfs/dbraw/zinc/95/16/63/564951663.db2.gz IIUKMTKHUGRCAM-CJNGLKHVSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988242 564951666 /nfs/dbraw/zinc/95/16/66/564951666.db2.gz IIUKMTKHUGRCAM-CJNGLKHVSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C ZINC000532988242 564951669 /nfs/dbraw/zinc/95/16/69/564951669.db2.gz IIUKMTKHUGRCAM-CJNGLKHVSA-N 2 2 393.329 2.762 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000562989254 565051149 /nfs/dbraw/zinc/05/11/49/565051149.db2.gz GFDQIFHGOBJDPZ-LALPHHSUSA-N 2 2 378.847 2.501 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000617764166 565257532 /nfs/dbraw/zinc/25/75/32/565257532.db2.gz LKVHMWRSHXWTTA-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)c(Cl)c1F ZINC000617764166 565257535 /nfs/dbraw/zinc/25/75/35/565257535.db2.gz LKVHMWRSHXWTTA-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000661947765 565344162 /nfs/dbraw/zinc/34/41/62/565344162.db2.gz CZIWAVFFKKUTHR-CQSZACIVSA-N 2 2 394.317 2.689 20 0 GFADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000661947765 565344166 /nfs/dbraw/zinc/34/41/66/565344166.db2.gz CZIWAVFFKKUTHR-CQSZACIVSA-N 2 2 394.317 2.689 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262234 565358238 /nfs/dbraw/zinc/35/82/38/565358238.db2.gz UJCYJJHVMZHGLN-ZWKOTPCHSA-N 2 2 382.346 2.506 20 0 GFADLP [NH3+][C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1Br ZINC000662367893 565363506 /nfs/dbraw/zinc/36/35/06/565363506.db2.gz HOMIEPOYDRIRJR-QGZVFWFLSA-N 2 2 389.297 2.761 20 0 GFADLP CN(C)c1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)c[nH+]1 ZINC000662379565 565364505 /nfs/dbraw/zinc/36/45/05/565364505.db2.gz DEOCTOURGJSIKK-UHFFFAOYSA-N 2 2 381.299 2.505 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641424560 565371346 /nfs/dbraw/zinc/37/13/46/565371346.db2.gz KRNUZRNLCWPWFF-CZUORRHYSA-N 2 2 383.334 2.575 20 0 GFADLP FC(F)(F)c1sccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787666 565399320 /nfs/dbraw/zinc/39/93/20/565399320.db2.gz XKNULIYXOUVHCW-HNNXBMFYSA-N 2 2 377.476 2.653 20 0 GFADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429137 565509335 /nfs/dbraw/zinc/50/93/35/565509335.db2.gz ORCMFNXUIAQSMN-IBGZPJMESA-N 2 2 390.325 2.879 20 0 GFADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429137 565509339 /nfs/dbraw/zinc/50/93/39/565509339.db2.gz ORCMFNXUIAQSMN-IBGZPJMESA-N 2 2 390.325 2.879 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000666716828 565553989 /nfs/dbraw/zinc/55/39/89/565553989.db2.gz OVEVXVQFBSJPGT-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000666716828 565553994 /nfs/dbraw/zinc/55/39/94/565553994.db2.gz OVEVXVQFBSJPGT-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3c(cc1Br)OCCO3)CCO2 ZINC000646102717 565586993 /nfs/dbraw/zinc/58/69/93/565586993.db2.gz OQOJKODQLLMJEM-UHFFFAOYSA-N 2 2 397.313 2.517 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3c(cc1Br)OCCO3)CCO2 ZINC000646102717 565586996 /nfs/dbraw/zinc/58/69/96/565586996.db2.gz OQOJKODQLLMJEM-UHFFFAOYSA-N 2 2 397.313 2.517 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646340218 565597690 /nfs/dbraw/zinc/59/76/90/565597690.db2.gz DASXGEAZDLHHDG-QGTPRVQTSA-N 2 2 392.341 2.796 20 0 GFADLP CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650715054 565833036 /nfs/dbraw/zinc/83/30/36/565833036.db2.gz NIWBKTNXBBJLAL-CZUORRHYSA-N 2 2 387.318 2.652 20 0 GFADLP CCOc1c(Br)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1OC ZINC000650715054 565833037 /nfs/dbraw/zinc/83/30/37/565833037.db2.gz NIWBKTNXBBJLAL-CZUORRHYSA-N 2 2 387.318 2.652 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564660 565859111 /nfs/dbraw/zinc/85/91/11/565859111.db2.gz IIVVRXNQJFUKHT-BNOWGMLFSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564660 565859113 /nfs/dbraw/zinc/85/91/13/565859113.db2.gz IIVVRXNQJFUKHT-BNOWGMLFSA-N 2 2 377.838 2.804 20 0 GFADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573409 565860375 /nfs/dbraw/zinc/86/03/75/565860375.db2.gz BIVBUKRJQFGDOZ-GOEBONIOSA-N 2 2 386.323 2.535 20 0 GFADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137747 565892781 /nfs/dbraw/zinc/89/27/81/565892781.db2.gz HYKPDMMQNXVRTM-IAGOWNOFSA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137747 565892783 /nfs/dbraw/zinc/89/27/83/565892783.db2.gz HYKPDMMQNXVRTM-IAGOWNOFSA-N 2 2 380.330 2.796 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462355 565903221 /nfs/dbraw/zinc/90/32/21/565903221.db2.gz PRWHTGXSTRMOJM-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462355 565903226 /nfs/dbraw/zinc/90/32/26/565903226.db2.gz PRWHTGXSTRMOJM-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000652356606 565924086 /nfs/dbraw/zinc/92/40/86/565924086.db2.gz WIKSLRPEUPVKLS-MLGOLLRUSA-N 2 2 380.286 2.900 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000652356606 565924092 /nfs/dbraw/zinc/92/40/92/565924092.db2.gz WIKSLRPEUPVKLS-MLGOLLRUSA-N 2 2 380.286 2.900 20 0 GFADLP C[NH+](C)CCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677981323 565991916 /nfs/dbraw/zinc/99/19/16/565991916.db2.gz BZFAEBYJJUQQLL-UHFFFAOYSA-N 2 2 387.355 2.815 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917947 566094930 /nfs/dbraw/zinc/09/49/30/566094930.db2.gz BURRDNAPMSSIRZ-BXUZGUMPSA-N 2 2 378.826 2.618 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1oc2ccccc2c1Br ZINC000633620004 566111483 /nfs/dbraw/zinc/11/14/83/566111483.db2.gz YWCXKXXTAUSSMJ-UHFFFAOYSA-N 2 2 382.302 2.809 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1oc2ccccc2c1Br ZINC000633620004 566111486 /nfs/dbraw/zinc/11/14/86/566111486.db2.gz YWCXKXXTAUSSMJ-UHFFFAOYSA-N 2 2 382.302 2.809 20 0 GFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702274 566155938 /nfs/dbraw/zinc/15/59/38/566155938.db2.gz NOQXOQBQLMKFFB-CABCVRRESA-N 2 2 389.309 2.790 20 0 GFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702274 566155944 /nfs/dbraw/zinc/15/59/44/566155944.db2.gz NOQXOQBQLMKFFB-CABCVRRESA-N 2 2 389.309 2.790 20 0 GFADLP C[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000736027168 599269163 /nfs/dbraw/zinc/26/91/63/599269163.db2.gz YVZCJZVPAHEYCQ-CYBMUJFWSA-N 2 2 391.504 2.757 20 0 GFADLP C[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000736027168 599269165 /nfs/dbraw/zinc/26/91/65/599269165.db2.gz YVZCJZVPAHEYCQ-CYBMUJFWSA-N 2 2 391.504 2.757 20 0 GFADLP CC[NH+](CC)C[C@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736532340 598745884 /nfs/dbraw/zinc/74/58/84/598745884.db2.gz BBHDUOZDKPHCLZ-NSHDSACASA-N 2 2 391.426 2.580 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820761744 606407256 /nfs/dbraw/zinc/40/72/56/606407256.db2.gz ZEAGMXVVXJGMLY-GASCZTMLSA-N 2 2 398.536 2.827 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820761744 606407259 /nfs/dbraw/zinc/40/72/59/606407259.db2.gz ZEAGMXVVXJGMLY-GASCZTMLSA-N 2 2 398.536 2.827 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255131 606500026 /nfs/dbraw/zinc/50/00/26/606500026.db2.gz VIUYVICJQGMVRI-SWLSCSKDSA-N 2 2 380.443 2.630 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255131 606500028 /nfs/dbraw/zinc/50/00/28/606500028.db2.gz VIUYVICJQGMVRI-SWLSCSKDSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255131 606500030 /nfs/dbraw/zinc/50/00/30/606500030.db2.gz VIUYVICJQGMVRI-SWLSCSKDSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255131 606500032 /nfs/dbraw/zinc/50/00/32/606500032.db2.gz VIUYVICJQGMVRI-SWLSCSKDSA-N 2 2 380.443 2.630 20 0 GFADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476933 606521465 /nfs/dbraw/zinc/52/14/65/606521465.db2.gz AJUJQCZUPOAUGO-OAHLLOKOSA-N 2 2 389.410 2.638 20 0 GFADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476933 606521466 /nfs/dbraw/zinc/52/14/66/606521466.db2.gz AJUJQCZUPOAUGO-OAHLLOKOSA-N 2 2 389.410 2.638 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000823867952 608652387 /nfs/dbraw/zinc/65/23/87/608652387.db2.gz KQUYZIZAAFPXHL-INIZCTEOSA-N 2 2 375.480 2.893 20 0 GFADLP Cc1c([C@H](C)[NH2+]CCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268699979 654983410 /nfs/dbraw/zinc/98/34/10/654983410.db2.gz AXBGSMRGXOLESU-LBPRGKRZSA-N 2 2 375.274 2.886 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945638 654992286 /nfs/dbraw/zinc/99/22/86/654992286.db2.gz UFNQXEBZNXERQX-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945638 654992290 /nfs/dbraw/zinc/99/22/90/654992290.db2.gz UFNQXEBZNXERQX-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000270013199 655031284 /nfs/dbraw/zinc/03/12/84/655031284.db2.gz UYSSWSWMARHCBA-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000270013199 655031285 /nfs/dbraw/zinc/03/12/85/655031285.db2.gz UYSSWSWMARHCBA-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000273559055 655148221 /nfs/dbraw/zinc/14/82/21/655148221.db2.gz DOUWPFHFVZLQLH-UHFFFAOYSA-N 2 2 378.270 2.971 20 0 GFADLP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1O ZINC000273788179 655158273 /nfs/dbraw/zinc/15/82/73/655158273.db2.gz URTIUGSXYPFJEU-UHFFFAOYSA-N 2 2 399.329 2.708 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244034 655167420 /nfs/dbraw/zinc/16/74/20/655167420.db2.gz YZVWTYVEGUGXPQ-UHFFFAOYSA-N 2 2 391.313 2.941 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000449556999 655410445 /nfs/dbraw/zinc/41/04/45/655410445.db2.gz OYEPWHYUMIDSRC-AWEZNQCLSA-N 2 2 382.346 2.902 20 0 GFADLP CN(C(=O)[C@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245691843 655428187 /nfs/dbraw/zinc/42/81/87/655428187.db2.gz JUYZYQHUAGLDNN-FGTMMUONSA-N 2 2 385.643 2.631 20 0 GFADLP CN(C(=O)[C@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245691843 655428189 /nfs/dbraw/zinc/42/81/89/655428189.db2.gz JUYZYQHUAGLDNN-FGTMMUONSA-N 2 2 385.643 2.631 20 0 GFADLP O[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)C[NH+]1CCCC1 ZINC000574789504 655430745 /nfs/dbraw/zinc/43/07/45/655430745.db2.gz ONINJNIDASTADY-AWEZNQCLSA-N 2 2 392.135 2.758 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738100 657256875 /nfs/dbraw/zinc/25/68/75/657256875.db2.gz PAQVTIBDDOLZRA-OAHLLOKOSA-N 2 2 397.386 2.904 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738100 657256883 /nfs/dbraw/zinc/25/68/83/657256883.db2.gz PAQVTIBDDOLZRA-OAHLLOKOSA-N 2 2 397.386 2.904 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c12 ZINC000799933931 659245968 /nfs/dbraw/zinc/24/59/68/659245968.db2.gz GPVMNLAGCTTWGB-NWDGAFQWSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c12 ZINC000799933931 659245982 /nfs/dbraw/zinc/24/59/82/659245982.db2.gz GPVMNLAGCTTWGB-NWDGAFQWSA-N 2 2 380.261 2.833 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000811035263 659995335 /nfs/dbraw/zinc/99/53/35/659995335.db2.gz GEVBHOUMKYIYEH-KBPBESRZSA-N 2 2 393.329 2.794 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000811035263 659995337 /nfs/dbraw/zinc/99/53/37/659995337.db2.gz GEVBHOUMKYIYEH-KBPBESRZSA-N 2 2 393.329 2.794 20 0 GFADLP C[NH+]1CCC2(CC1)CC[NH+]([C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000879249993 662921753 /nfs/dbraw/zinc/92/17/53/662921753.db2.gz JBXQIFYQBDEBLZ-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP C[C@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153303 663363571 /nfs/dbraw/zinc/36/35/71/663363571.db2.gz NXIAHBBSYVJGQW-DZGCQCFKSA-N 2 2 376.492 2.706 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892153303 663363572 /nfs/dbraw/zinc/36/35/72/663363572.db2.gz NXIAHBBSYVJGQW-DZGCQCFKSA-N 2 2 376.492 2.706 20 0 GFADLP [NH3+][C@H](CNC1CC[NH+](Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929128 663812263 /nfs/dbraw/zinc/81/22/63/663812263.db2.gz AQCFHGOXRCFEIE-AWEZNQCLSA-N 2 2 376.289 2.986 20 0 GFADLP [NH3+][C@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929128 663812265 /nfs/dbraw/zinc/81/22/65/663812265.db2.gz AQCFHGOXRCFEIE-AWEZNQCLSA-N 2 2 376.289 2.986 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(Br)o1 ZINC000918701016 664502922 /nfs/dbraw/zinc/50/29/22/664502922.db2.gz RWDGOFYRNYUQQF-FNORWQNLSA-N 2 2 384.318 2.540 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(Br)o1 ZINC000918701016 664502925 /nfs/dbraw/zinc/50/29/25/664502925.db2.gz RWDGOFYRNYUQQF-FNORWQNLSA-N 2 2 384.318 2.540 20 0 GFADLP CCc1ccc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621429 664830183 /nfs/dbraw/zinc/83/01/83/664830183.db2.gz KIIJJNWJZJEYMU-INIZCTEOSA-N 2 2 394.357 2.910 20 0 GFADLP CCc1ccc(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621429 664830186 /nfs/dbraw/zinc/83/01/86/664830186.db2.gz KIIJJNWJZJEYMU-INIZCTEOSA-N 2 2 394.357 2.910 20 0 GFADLP Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621436 664830250 /nfs/dbraw/zinc/83/02/50/664830250.db2.gz KMUCZQDYJZAGFL-CQSZACIVSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)cc(F)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621436 664830252 /nfs/dbraw/zinc/83/02/52/664830252.db2.gz KMUCZQDYJZAGFL-CQSZACIVSA-N 2 2 398.320 2.795 20 0 GFADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N(CC)CC)[nH+]cn3)CC2)CC1 ZINC001164617874 719029303 /nfs/dbraw/zinc/02/93/03/719029303.db2.gz QPNGCCAJTQIIRM-UHFFFAOYSA-N 2 2 389.544 2.567 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835917 720589139 /nfs/dbraw/zinc/58/91/39/720589139.db2.gz CRXRNEJDMVQLER-VAMGGRTRSA-N 2 2 396.539 2.923 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835917 720589149 /nfs/dbraw/zinc/58/91/49/720589149.db2.gz CRXRNEJDMVQLER-VAMGGRTRSA-N 2 2 396.539 2.923 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741159 720838256 /nfs/dbraw/zinc/83/82/56/720838256.db2.gz DMEZBIJFEBPWPF-CEWLAPEOSA-N 2 2 395.555 2.708 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741159 720838258 /nfs/dbraw/zinc/83/82/58/720838258.db2.gz DMEZBIJFEBPWPF-CEWLAPEOSA-N 2 2 395.555 2.708 20 0 GFADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858630 720887988 /nfs/dbraw/zinc/88/79/88/720887988.db2.gz LMRGTDRQRPHBCQ-JXFKEZNVSA-N 2 2 389.471 2.556 20 0 GFADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@H]2C1 ZINC001164858630 720887990 /nfs/dbraw/zinc/88/79/90/720887990.db2.gz LMRGTDRQRPHBCQ-JXFKEZNVSA-N 2 2 389.471 2.556 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc[nH+]1 ZINC001164771437 721168988 /nfs/dbraw/zinc/16/89/88/721168988.db2.gz PRZCRQYINXNBMS-WOJBJXKFSA-N 2 2 397.571 2.795 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc[nH+]1 ZINC001164771437 721168998 /nfs/dbraw/zinc/16/89/98/721168998.db2.gz PRZCRQYINXNBMS-WOJBJXKFSA-N 2 2 397.571 2.795 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887734 721417137 /nfs/dbraw/zinc/41/71/37/721417137.db2.gz MUKLLAXXUNJTBB-UNMCSNQZSA-N 2 2 388.556 2.634 20 0 GFADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCN(c3ccccc3F)CC2)[nH+]cn1 ZINC001165043439 721937716 /nfs/dbraw/zinc/93/77/16/721937716.db2.gz XNCRGULCGDQUEL-UHFFFAOYSA-N 2 2 398.530 2.720 20 0 GFADLP COc1cccc([C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927278 209202974 /nfs/dbraw/zinc/20/29/74/209202974.db2.gz KSGHQUYUFRVNBU-FXAWDEMLSA-N 2 2 399.539 2.938 20 0 GFADLP COc1cccc([C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927278 209202976 /nfs/dbraw/zinc/20/29/76/209202976.db2.gz KSGHQUYUFRVNBU-FXAWDEMLSA-N 2 2 399.539 2.938 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000106578511 551200510 /nfs/dbraw/zinc/20/05/10/551200510.db2.gz UCQRQIQPUXBUSX-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Br)cc1 ZINC000106578511 551200513 /nfs/dbraw/zinc/20/05/13/551200513.db2.gz UCQRQIQPUXBUSX-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000130727727 551368736 /nfs/dbraw/zinc/36/87/36/551368736.db2.gz WKQHLJUHPFYYKG-HNNXBMFYSA-N 2 2 381.973 2.858 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305195 551373667 /nfs/dbraw/zinc/37/36/67/551373667.db2.gz YERDQOOZCYBHDJ-SUMWQHHRSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305195 551373670 /nfs/dbraw/zinc/37/36/70/551373670.db2.gz YERDQOOZCYBHDJ-SUMWQHHRSA-N 2 2 380.330 2.924 20 0 GFADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000150942387 551404214 /nfs/dbraw/zinc/40/42/14/551404214.db2.gz YOKPJVWOKSMYSG-IBGZPJMESA-N 2 2 398.389 2.880 20 0 GFADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000151271323 551410473 /nfs/dbraw/zinc/41/04/73/551410473.db2.gz UOAMKSOGPJCAJD-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)n1 ZINC000151271323 551410474 /nfs/dbraw/zinc/41/04/74/551410474.db2.gz UOAMKSOGPJCAJD-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000153197737 551447786 /nfs/dbraw/zinc/44/77/86/551447786.db2.gz GOJTZTAPSLJLGT-APWZRJJASA-N 2 2 396.373 2.584 20 0 GFADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000153197737 551447787 /nfs/dbraw/zinc/44/77/87/551447787.db2.gz GOJTZTAPSLJLGT-APWZRJJASA-N 2 2 396.373 2.584 20 0 GFADLP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)ccc1Br ZINC000167182971 551633094 /nfs/dbraw/zinc/63/30/94/551633094.db2.gz RVZBLCJYEUBHSV-MRXNPFEDSA-N 2 2 377.286 2.776 20 0 GFADLP O[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)COc1ccccc1Br ZINC000179429733 552192998 /nfs/dbraw/zinc/19/29/98/552192998.db2.gz ZDKMRCASFRXBAT-CQSZACIVSA-N 2 2 376.254 2.626 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167524 552276866 /nfs/dbraw/zinc/27/68/66/552276866.db2.gz PUBDVRFXKFXMFW-KRWDZBQOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167524 552276869 /nfs/dbraw/zinc/27/68/69/552276869.db2.gz PUBDVRFXKFXMFW-KRWDZBQOSA-N 2 2 382.346 2.670 20 0 GFADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000183756913 552318388 /nfs/dbraw/zinc/31/83/88/552318388.db2.gz AAHSYSMMNKMIBA-ZDUSSCGKSA-N 2 2 388.339 2.871 20 0 GFADLP Cn1c[nH+]cc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000188884434 552458132 /nfs/dbraw/zinc/45/81/32/552458132.db2.gz KWBCAZFWQITUMI-UHFFFAOYSA-N 2 2 378.318 2.542 20 0 GFADLP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245571266 553093442 /nfs/dbraw/zinc/09/34/42/553093442.db2.gz GQYFWUDASYEBQS-WQVCFCJDSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245571266 553093443 /nfs/dbraw/zinc/09/34/43/553093443.db2.gz GQYFWUDASYEBQS-WQVCFCJDSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000245716592 553095327 /nfs/dbraw/zinc/09/53/27/553095327.db2.gz UFBRQZQEVNLOHS-KYJSFNMBSA-N 2 2 394.313 2.968 20 0 GFADLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000245716592 553095329 /nfs/dbraw/zinc/09/53/29/553095329.db2.gz UFBRQZQEVNLOHS-KYJSFNMBSA-N 2 2 394.313 2.968 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247959800 553126224 /nfs/dbraw/zinc/12/62/24/553126224.db2.gz GBQNAUFNOSQHMK-IIDMSEBBSA-N 2 2 392.345 2.929 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247959800 553126227 /nfs/dbraw/zinc/12/62/27/553126227.db2.gz GBQNAUFNOSQHMK-IIDMSEBBSA-N 2 2 392.345 2.929 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261631169 553154763 /nfs/dbraw/zinc/15/47/63/553154763.db2.gz BVCSZMZSWAQHMT-QGZVFWFLSA-N 2 2 377.286 2.752 20 0 GFADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418392888 563216199 /nfs/dbraw/zinc/21/61/99/563216199.db2.gz QERJTRPESAYVLH-CQSZACIVSA-N 2 2 387.355 2.719 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418516896 563219217 /nfs/dbraw/zinc/21/92/17/563219217.db2.gz UBAUHSYVIBOIML-CJNGLKHVSA-N 2 2 383.334 2.575 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000420981150 563293254 /nfs/dbraw/zinc/29/32/54/563293254.db2.gz MPGRNELEXQZKOC-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cncc(Br)c3)CC2)CC1 ZINC000420981150 563293257 /nfs/dbraw/zinc/29/32/57/563293257.db2.gz MPGRNELEXQZKOC-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(Cl)c3Cl)CC2)CC1 ZINC000376028309 563427067 /nfs/dbraw/zinc/42/70/67/563427067.db2.gz JBRQBKSPCRPQCN-UHFFFAOYSA-N 2 2 385.339 2.765 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890690 563489985 /nfs/dbraw/zinc/48/99/85/563489985.db2.gz XUJHJXJELOSKHS-CYBMUJFWSA-N 2 2 378.270 2.943 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890690 563489986 /nfs/dbraw/zinc/48/99/86/563489986.db2.gz XUJHJXJELOSKHS-CYBMUJFWSA-N 2 2 378.270 2.943 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430575350 563546044 /nfs/dbraw/zinc/54/60/44/563546044.db2.gz QONGRYCXPUCANM-NSHDSACASA-N 2 2 389.281 2.535 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430575350 563546046 /nfs/dbraw/zinc/54/60/46/563546046.db2.gz QONGRYCXPUCANM-NSHDSACASA-N 2 2 389.281 2.535 20 0 GFADLP CN(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669523 563590362 /nfs/dbraw/zinc/59/03/62/563590362.db2.gz LAZVTVLWXIRSCC-OAHLLOKOSA-N 2 2 376.551 2.812 20 0 GFADLP CN(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1nccs1 ZINC000432669523 563590365 /nfs/dbraw/zinc/59/03/65/563590365.db2.gz LAZVTVLWXIRSCC-OAHLLOKOSA-N 2 2 376.551 2.812 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000332354837 563595055 /nfs/dbraw/zinc/59/50/55/563595055.db2.gz VQVFVLHUTPFDST-BETUJISGSA-N 2 2 394.317 2.639 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000332354837 563595059 /nfs/dbraw/zinc/59/50/59/563595059.db2.gz VQVFVLHUTPFDST-BETUJISGSA-N 2 2 394.317 2.639 20 0 GFADLP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000411512693 563621557 /nfs/dbraw/zinc/62/15/57/563621557.db2.gz BNTXYXOUWPPZFD-GFCCVEGCSA-N 2 2 378.464 2.803 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000411538743 563622558 /nfs/dbraw/zinc/62/25/58/563622558.db2.gz LDBXMKJIGBDRDS-UHFFFAOYSA-N 2 2 378.464 2.587 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1ccc(Br)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433002 563650109 /nfs/dbraw/zinc/65/01/09/563650109.db2.gz LOHGJHVEKLCLPB-MRXNPFEDSA-N 2 2 390.329 2.722 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459091 563753869 /nfs/dbraw/zinc/75/38/69/563753869.db2.gz QSUQOLNIVBRPTR-MOPGFXCFSA-N 2 2 396.373 2.896 20 0 GFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414813141 563753940 /nfs/dbraw/zinc/75/39/40/563753940.db2.gz MAPSLBAYVWLEDN-GFCCVEGCSA-N 2 2 392.281 2.916 20 0 GFADLP [NH3+]CC[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(F)(F)F ZINC000416038998 563804040 /nfs/dbraw/zinc/80/40/40/563804040.db2.gz FPKREUQRKQGZFS-CYBMUJFWSA-N 2 2 375.782 2.605 20 0 GFADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000417899453 563890950 /nfs/dbraw/zinc/89/09/50/563890950.db2.gz KVPQIZWECRLLSI-AWEZNQCLSA-N 2 2 392.256 2.631 20 0 GFADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000417899453 563890952 /nfs/dbraw/zinc/89/09/52/563890952.db2.gz KVPQIZWECRLLSI-AWEZNQCLSA-N 2 2 392.256 2.631 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394601 564184321 /nfs/dbraw/zinc/18/43/21/564184321.db2.gz OCHXUJQYCVVRMM-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394601 564184325 /nfs/dbraw/zinc/18/43/25/564184325.db2.gz OCHXUJQYCVVRMM-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558507 564193465 /nfs/dbraw/zinc/19/34/65/564193465.db2.gz DONUIAMNOYNKHE-BBRMVZONSA-N 2 2 393.333 2.682 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855339 564252514 /nfs/dbraw/zinc/25/25/14/564252514.db2.gz QOEORSOUVJHQRL-OWCLPIDISA-N 2 2 397.357 2.540 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855339 564252517 /nfs/dbraw/zinc/25/25/17/564252517.db2.gz QOEORSOUVJHQRL-OWCLPIDISA-N 2 2 397.357 2.540 20 0 GFADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1cccc(Br)c1 ZINC000564869451 564253983 /nfs/dbraw/zinc/25/39/83/564253983.db2.gz XJTZMWWTEWSTHU-OAHLLOKOSA-N 2 2 380.286 2.511 20 0 GFADLP O=C1CC[C@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCN1 ZINC000450976708 564259277 /nfs/dbraw/zinc/25/92/77/564259277.db2.gz DCZHRZHCOYUXAJ-AWEZNQCLSA-N 2 2 395.301 2.657 20 0 GFADLP O=C1CC[C@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCN1 ZINC000450976708 564259280 /nfs/dbraw/zinc/25/92/80/564259280.db2.gz DCZHRZHCOYUXAJ-AWEZNQCLSA-N 2 2 395.301 2.657 20 0 GFADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000565488894 564282933 /nfs/dbraw/zinc/28/29/33/564282933.db2.gz YEIBCPXCIHQVDQ-UHFFFAOYSA-N 2 2 389.301 2.828 20 0 GFADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000565488894 564282937 /nfs/dbraw/zinc/28/29/37/564282937.db2.gz YEIBCPXCIHQVDQ-UHFFFAOYSA-N 2 2 389.301 2.828 20 0 GFADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cncc(Br)c3)CC2)CC1 ZINC000541663957 564286276 /nfs/dbraw/zinc/28/62/76/564286276.db2.gz JZHJNYWQPZFTCB-UHFFFAOYSA-N 2 2 381.362 2.694 20 0 GFADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000566249702 564319327 /nfs/dbraw/zinc/31/93/27/564319327.db2.gz DRJDVDGSEBNZMC-GOSISDBHSA-N 2 2 391.313 2.814 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@@H+](C)C(C)C)[nH+]c12 ZINC000543694587 564360867 /nfs/dbraw/zinc/36/08/67/564360867.db2.gz CXFIPCIYNQYAOF-UHFFFAOYSA-N 2 2 396.333 2.587 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[N@H+](C)C(C)C)[nH+]c12 ZINC000543694587 564360870 /nfs/dbraw/zinc/36/08/70/564360870.db2.gz CXFIPCIYNQYAOF-UHFFFAOYSA-N 2 2 396.333 2.587 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000511941259 564385725 /nfs/dbraw/zinc/38/57/25/564385725.db2.gz LNASMTVXYYJUCU-HNNXBMFYSA-N 2 2 382.892 2.892 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH+]c12 ZINC000544772051 564398205 /nfs/dbraw/zinc/39/82/05/564398205.db2.gz BIZGRGOTOROQFP-OAHLLOKOSA-N 2 2 381.318 2.650 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348680 564476028 /nfs/dbraw/zinc/47/60/28/564476028.db2.gz IWRWGRCUQARBJC-HUUCEWRRSA-N 2 2 385.599 2.741 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000515348680 564476031 /nfs/dbraw/zinc/47/60/31/564476031.db2.gz IWRWGRCUQARBJC-HUUCEWRRSA-N 2 2 385.599 2.741 20 0 GFADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1I ZINC000515864869 564488612 /nfs/dbraw/zinc/48/86/12/564488612.db2.gz PJVDMNVXXBWCLO-CZUORRHYSA-N 2 2 388.293 2.741 20 0 GFADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccccc1I ZINC000515864869 564488614 /nfs/dbraw/zinc/48/86/14/564488614.db2.gz PJVDMNVXXBWCLO-CZUORRHYSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000515864869 564488616 /nfs/dbraw/zinc/48/86/16/564488616.db2.gz PJVDMNVXXBWCLO-CZUORRHYSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000515864869 564488619 /nfs/dbraw/zinc/48/86/19/564488619.db2.gz PJVDMNVXXBWCLO-CZUORRHYSA-N 2 2 388.293 2.741 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000548155762 564533927 /nfs/dbraw/zinc/53/39/27/564533927.db2.gz SJDHBMUXENAGBN-OAHLLOKOSA-N 2 2 398.326 2.934 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]cc1Br ZINC000455859608 564575931 /nfs/dbraw/zinc/57/59/31/564575931.db2.gz CZCQJGKODKGESO-ZDUSSCGKSA-N 2 2 396.333 2.860 20 0 GFADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000574571300 564679904 /nfs/dbraw/zinc/67/99/04/564679904.db2.gz DTQVHXKCQCZBNI-COXVUDFISA-N 2 2 380.330 2.830 20 0 GFADLP C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C[NH+](C)C ZINC000552239852 564682989 /nfs/dbraw/zinc/68/29/89/564682989.db2.gz VTCIVRFSDKTLNT-YOEHRIQHSA-N 2 2 382.346 2.900 20 0 GFADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000576941688 564721928 /nfs/dbraw/zinc/72/19/28/564721928.db2.gz OFELFFOEYATYPA-WMLDXEAASA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685664 564756786 /nfs/dbraw/zinc/75/67/86/564756786.db2.gz AZJFEZQEMRGWAQ-UVBSCNOISA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685664 564756789 /nfs/dbraw/zinc/75/67/89/564756789.db2.gz AZJFEZQEMRGWAQ-UVBSCNOISA-N 2 2 385.321 2.812 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580543679 564762876 /nfs/dbraw/zinc/76/28/76/564762876.db2.gz NOXAYLWJBVWCKV-CYGHRXIMSA-N 2 2 399.373 2.830 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580543679 564762882 /nfs/dbraw/zinc/76/28/82/564762882.db2.gz NOXAYLWJBVWCKV-CYGHRXIMSA-N 2 2 399.373 2.830 20 0 GFADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000462202242 564826785 /nfs/dbraw/zinc/82/67/85/564826785.db2.gz GFCRXFVRBBAVSI-CRAIPNDOSA-N 2 2 382.599 2.574 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631967 564836552 /nfs/dbraw/zinc/83/65/52/564836552.db2.gz KLDFUNOTZHKZNR-SUMWQHHRSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631967 564836556 /nfs/dbraw/zinc/83/65/56/564836556.db2.gz KLDFUNOTZHKZNR-SUMWQHHRSA-N 2 2 380.330 2.641 20 0 GFADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000582545630 564851116 /nfs/dbraw/zinc/85/11/16/564851116.db2.gz VWELJFHKGPOMDI-YOEHRIQHSA-N 2 2 380.330 2.783 20 0 GFADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000582545629 564851403 /nfs/dbraw/zinc/85/14/03/564851403.db2.gz VWELJFHKGPOMDI-WMLDXEAASA-N 2 2 380.330 2.783 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449027 564892013 /nfs/dbraw/zinc/89/20/13/564892013.db2.gz ZAVMYPJUVWRTES-GUYCJALGSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000583449027 564892020 /nfs/dbraw/zinc/89/20/20/564892020.db2.gz ZAVMYPJUVWRTES-GUYCJALGSA-N 2 2 385.346 2.601 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000499911927 564940259 /nfs/dbraw/zinc/94/02/59/564940259.db2.gz OLFIBBBJRCROLY-UHFFFAOYSA-N 2 2 382.346 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499911927 564940260 /nfs/dbraw/zinc/94/02/60/564940260.db2.gz OLFIBBBJRCROLY-UHFFFAOYSA-N 2 2 382.346 2.825 20 0 GFADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000560274549 564955435 /nfs/dbraw/zinc/95/54/35/564955435.db2.gz MFDBLYPJKGRULA-AWEZNQCLSA-N 2 2 399.329 2.826 20 0 GFADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Br)c1 ZINC000560274549 564955440 /nfs/dbraw/zinc/95/54/40/564955440.db2.gz MFDBLYPJKGRULA-AWEZNQCLSA-N 2 2 399.329 2.826 20 0 GFADLP Brc1ccc(C[N@H+](CCOC[C@@H]2CCCO2)CCn2cc[nH+]c2)o1 ZINC000561313933 564990502 /nfs/dbraw/zinc/99/05/02/564990502.db2.gz LAZMMPRDJPULNX-INIZCTEOSA-N 2 2 398.301 2.936 20 0 GFADLP Brc1ccc(C[N@@H+](CCOC[C@@H]2CCCO2)CCn2cc[nH+]c2)o1 ZINC000561313933 564990505 /nfs/dbraw/zinc/99/05/05/564990505.db2.gz LAZMMPRDJPULNX-INIZCTEOSA-N 2 2 398.301 2.936 20 0 GFADLP Cc1cc[nH+]c(NCc2cccnc2N2CC[NH+](C)CC2)c1Br ZINC000561332993 564991344 /nfs/dbraw/zinc/99/13/44/564991344.db2.gz LPOMTKLQHRPZQA-UHFFFAOYSA-N 2 2 376.302 2.911 20 0 GFADLP CC(=O)NCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC000503206739 565013993 /nfs/dbraw/zinc/01/39/93/565013993.db2.gz HOOBJOZLKNSXAI-UHFFFAOYSA-N 2 2 385.331 2.736 20 0 GFADLP CC(=O)NCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)s1 ZINC000503206739 565013996 /nfs/dbraw/zinc/01/39/96/565013996.db2.gz HOOBJOZLKNSXAI-UHFFFAOYSA-N 2 2 385.331 2.736 20 0 GFADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411678 565018549 /nfs/dbraw/zinc/01/85/49/565018549.db2.gz QJXCIFLPNJHPDD-WMZOPIPTSA-N 2 2 392.341 2.939 20 0 GFADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411678 565018554 /nfs/dbraw/zinc/01/85/54/565018554.db2.gz QJXCIFLPNJHPDD-WMZOPIPTSA-N 2 2 392.341 2.939 20 0 GFADLP COc1cc(Br)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1OC ZINC000536352057 565035129 /nfs/dbraw/zinc/03/51/29/565035129.db2.gz AGLVLLNFUXFQPW-UHFFFAOYSA-N 2 2 395.301 2.522 20 0 GFADLP C[C@@H]([NH2+]C1CC1)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000563095552 565055356 /nfs/dbraw/zinc/05/53/56/565055356.db2.gz YNSFAHGTXCCEAC-CQSZACIVSA-N 2 2 391.313 2.815 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639165882 565230412 /nfs/dbraw/zinc/23/04/12/565230412.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639165882 565230414 /nfs/dbraw/zinc/23/04/14/565230414.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccco1 ZINC000639165882 565230421 /nfs/dbraw/zinc/23/04/21/565230421.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Br ZINC000639683294 565255016 /nfs/dbraw/zinc/25/50/16/565255016.db2.gz VXZJFRWFACXXRI-UHFFFAOYSA-N 2 2 389.297 2.995 20 0 GFADLP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Br ZINC000639683294 565255021 /nfs/dbraw/zinc/25/50/21/565255021.db2.gz VXZJFRWFACXXRI-UHFFFAOYSA-N 2 2 389.297 2.995 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296479 565359334 /nfs/dbraw/zinc/35/93/34/565359334.db2.gz KYJGEFYQYOOUMW-WBVHZDCISA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296479 565359337 /nfs/dbraw/zinc/35/93/37/565359337.db2.gz KYJGEFYQYOOUMW-WBVHZDCISA-N 2 2 380.330 2.687 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662487027 565371206 /nfs/dbraw/zinc/37/12/06/565371206.db2.gz OYTGLZMLGQAAHO-QGZVFWFLSA-N 2 2 388.339 2.823 20 0 GFADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000662684613 565382423 /nfs/dbraw/zinc/38/24/23/565382423.db2.gz XIUZKHFEKJMINY-CRPOECCBSA-N 2 2 378.314 2.536 20 0 GFADLP FC(F)(F)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641786868 565399972 /nfs/dbraw/zinc/39/99/72/565399972.db2.gz IJBDUXDDSKVNKN-AWEZNQCLSA-N 2 2 377.476 2.653 20 0 GFADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548109 565481890 /nfs/dbraw/zinc/48/18/90/565481890.db2.gz PBOCOLFXTBAPPS-OLZOCXBDSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548109 565481892 /nfs/dbraw/zinc/48/18/92/565481892.db2.gz PBOCOLFXTBAPPS-OLZOCXBDSA-N 2 2 377.710 2.526 20 0 GFADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000666281699 565530594 /nfs/dbraw/zinc/53/05/94/565530594.db2.gz CPXWMFYBIDJQOS-INIZCTEOSA-N 2 2 375.519 2.959 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273481 565615069 /nfs/dbraw/zinc/61/50/69/565615069.db2.gz NXDOBVUFPQMUNA-MRXNPFEDSA-N 2 2 377.286 2.921 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1Br)[N@H+](C)CCC[NH3+] ZINC000647848960 565679522 /nfs/dbraw/zinc/67/95/22/565679522.db2.gz BJIZFJXBPNNSQA-VIFPVBQESA-N 2 2 393.123 2.819 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1Br)[N@@H+](C)CCC[NH3+] ZINC000647848960 565679526 /nfs/dbraw/zinc/67/95/26/565679526.db2.gz BJIZFJXBPNNSQA-VIFPVBQESA-N 2 2 393.123 2.819 20 0 GFADLP Cc1ccc(Br)cc1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393512 565760418 /nfs/dbraw/zinc/76/04/18/565760418.db2.gz ZWVPDZKDPGNITN-QGZVFWFLSA-N 2 2 380.330 2.672 20 0 GFADLP Cc1ccc(Br)cc1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393512 565760420 /nfs/dbraw/zinc/76/04/20/565760420.db2.gz ZWVPDZKDPGNITN-QGZVFWFLSA-N 2 2 380.330 2.672 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538271 565857294 /nfs/dbraw/zinc/85/72/94/565857294.db2.gz TUOHAYRVJAHYCI-AEFFLSMTSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538271 565857302 /nfs/dbraw/zinc/85/73/02/565857302.db2.gz TUOHAYRVJAHYCI-AEFFLSMTSA-N 2 2 378.314 2.778 20 0 GFADLP Brc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000631035259 565934822 /nfs/dbraw/zinc/93/48/22/565934822.db2.gz DPMJRUNQEPSLKQ-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccncc2Br)C1 ZINC000631110895 565941890 /nfs/dbraw/zinc/94/18/90/565941890.db2.gz PEKSZLPECXGTLP-QGZVFWFLSA-N 2 2 376.298 2.701 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2Br)C1 ZINC000631110895 565941894 /nfs/dbraw/zinc/94/18/94/565941894.db2.gz PEKSZLPECXGTLP-QGZVFWFLSA-N 2 2 376.298 2.701 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000679832846 566055085 /nfs/dbraw/zinc/05/50/85/566055085.db2.gz TXTBYQQIPYWCSJ-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000679832846 566055091 /nfs/dbraw/zinc/05/50/91/566055091.db2.gz TXTBYQQIPYWCSJ-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826514047 607478397 /nfs/dbraw/zinc/47/83/97/607478397.db2.gz FQKYQMYPQOQKDG-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826514047 607478399 /nfs/dbraw/zinc/47/83/99/607478399.db2.gz FQKYQMYPQOQKDG-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826514047 607478400 /nfs/dbraw/zinc/47/84/00/607478400.db2.gz FQKYQMYPQOQKDG-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826514047 607478402 /nfs/dbraw/zinc/47/84/02/607478402.db2.gz FQKYQMYPQOQKDG-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610747 606976832 /nfs/dbraw/zinc/97/68/32/606976832.db2.gz CWIKPVMVICMURS-SFHVURJKSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610747 606976835 /nfs/dbraw/zinc/97/68/35/606976835.db2.gz CWIKPVMVICMURS-SFHVURJKSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821610747 606976836 /nfs/dbraw/zinc/97/68/36/606976836.db2.gz CWIKPVMVICMURS-SFHVURJKSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821610747 606976837 /nfs/dbraw/zinc/97/68/37/606976837.db2.gz CWIKPVMVICMURS-SFHVURJKSA-N 2 2 380.471 2.960 20 0 GFADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302091 608313783 /nfs/dbraw/zinc/31/37/83/608313783.db2.gz WGWCQGCIARHYPT-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302091 608313785 /nfs/dbraw/zinc/31/37/85/608313785.db2.gz WGWCQGCIARHYPT-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302091 608313787 /nfs/dbraw/zinc/31/37/87/608313787.db2.gz WGWCQGCIARHYPT-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C1 ZINC000825302091 608313789 /nfs/dbraw/zinc/31/37/89/608313789.db2.gz WGWCQGCIARHYPT-KRWDZBQOSA-N 2 2 394.527 2.525 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655889 609251613 /nfs/dbraw/zinc/25/16/13/609251613.db2.gz GRDRTCIGWJWUPJ-KSSFIOAISA-N 2 2 378.484 2.575 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658420 609347384 /nfs/dbraw/zinc/34/73/84/609347384.db2.gz XAOZOFDFMLMDDV-CJNGLKHVSA-N 2 2 396.474 2.714 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973725 655256995 /nfs/dbraw/zinc/25/69/95/655256995.db2.gz XHYDXHNNEWWELL-WFASDCNBSA-N 2 2 386.359 2.891 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973725 655256998 /nfs/dbraw/zinc/25/69/98/655256998.db2.gz XHYDXHNNEWWELL-WFASDCNBSA-N 2 2 386.359 2.891 20 0 GFADLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185013982 655361762 /nfs/dbraw/zinc/36/17/62/655361762.db2.gz NPONHJRRBCOTRP-ZDUSSCGKSA-N 2 2 388.325 2.972 20 0 GFADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000566067319 655424647 /nfs/dbraw/zinc/42/46/47/655424647.db2.gz VGFDSTVPLHMXCS-UONOGXRCSA-N 2 2 379.302 2.658 20 0 GFADLP C[NH+](C)CC(C)(C)CNC(=S)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785474697 657366632 /nfs/dbraw/zinc/36/66/32/657366632.db2.gz JQSUMXLQMLMLCZ-UHFFFAOYSA-N 2 2 383.005 2.750 20 0 GFADLP C[NH+](C)CC(C)(C)CNC(=S)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785474697 657366635 /nfs/dbraw/zinc/36/66/35/657366635.db2.gz JQSUMXLQMLMLCZ-UHFFFAOYSA-N 2 2 383.005 2.750 20 0 GFADLP O=C1OCCN1CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796191609 658899387 /nfs/dbraw/zinc/89/93/87/658899387.db2.gz MZWUIHSRQKKUBC-UHFFFAOYSA-N 2 2 397.273 2.583 20 0 GFADLP O=C1OCCN1CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796191609 658899390 /nfs/dbraw/zinc/89/93/90/658899390.db2.gz MZWUIHSRQKKUBC-UHFFFAOYSA-N 2 2 397.273 2.583 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(Cl)c(C(=O)OC)s3)CC2)CC1 ZINC000817125258 660179889 /nfs/dbraw/zinc/17/98/89/660179889.db2.gz MPQBFQWYDKUCDX-UHFFFAOYSA-N 2 2 386.949 2.580 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(Cl)c(C(=O)OC)s3)CC2)CC1 ZINC000817125258 660179891 /nfs/dbraw/zinc/17/98/91/660179891.db2.gz MPQBFQWYDKUCDX-UHFFFAOYSA-N 2 2 386.949 2.580 20 0 GFADLP Brc1ncccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000865417375 662420227 /nfs/dbraw/zinc/42/02/27/662420227.db2.gz ILFLSHFLHPGOHA-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC000865799943 662444084 /nfs/dbraw/zinc/44/40/84/662444084.db2.gz ULSCJIMMQSVTRC-UHFFFAOYSA-N 2 2 379.448 2.990 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(SC(F)(F)F)o1 ZINC000865799943 662444085 /nfs/dbraw/zinc/44/40/85/662444085.db2.gz ULSCJIMMQSVTRC-UHFFFAOYSA-N 2 2 379.448 2.990 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411700 662471229 /nfs/dbraw/zinc/47/12/29/662471229.db2.gz UEJDCAQYJASVHH-BBRMVZONSA-N 2 2 398.345 2.601 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411700 662471232 /nfs/dbraw/zinc/47/12/32/662471232.db2.gz UEJDCAQYJASVHH-BBRMVZONSA-N 2 2 398.345 2.601 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324880 662893996 /nfs/dbraw/zinc/89/39/96/662893996.db2.gz PMJHKYMZDBSTFR-NIKGAXFTSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324880 662893997 /nfs/dbraw/zinc/89/39/97/662893997.db2.gz PMJHKYMZDBSTFR-NIKGAXFTSA-N 2 2 386.367 2.985 20 0 GFADLP CCO/C=C/[C@@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710864 663524444 /nfs/dbraw/zinc/52/44/44/663524444.db2.gz OBPDLPLHIIXDRZ-BCRSCGJKSA-N 2 2 378.357 2.836 20 0 GFADLP Brc1cnc2n1C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000898723749 663661121 /nfs/dbraw/zinc/66/11/21/663661121.db2.gz IPJHNHBYYNRJAR-LLVKDONJSA-N 2 2 378.299 2.997 20 0 GFADLP Brc1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758486 663805869 /nfs/dbraw/zinc/80/58/69/663805869.db2.gz LAJGTNPFLLKFTB-INIZCTEOSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758486 663805870 /nfs/dbraw/zinc/80/58/70/663805870.db2.gz LAJGTNPFLLKFTB-INIZCTEOSA-N 2 2 381.314 2.802 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547466 677395382 /nfs/dbraw/zinc/39/53/82/677395382.db2.gz JRZIWWCGSGHZKR-HNNXBMFYSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000115547466 677395383 /nfs/dbraw/zinc/39/53/83/677395383.db2.gz JRZIWWCGSGHZKR-HNNXBMFYSA-N 2 2 391.339 2.512 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735742 720428212 /nfs/dbraw/zinc/42/82/12/720428212.db2.gz YJKUWJKVNREMKE-WOJBJXKFSA-N 2 2 391.475 2.988 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735742 720428215 /nfs/dbraw/zinc/42/82/15/720428215.db2.gz YJKUWJKVNREMKE-WOJBJXKFSA-N 2 2 391.475 2.988 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839289 720574005 /nfs/dbraw/zinc/57/40/05/720574005.db2.gz PUOYNSNTLSNIIH-SLFFLAALSA-N 2 2 397.571 2.897 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839289 720574017 /nfs/dbraw/zinc/57/40/17/720574017.db2.gz PUOYNSNTLSNIIH-SLFFLAALSA-N 2 2 397.571 2.897 20 0 GFADLP c1ccc(N2CCOC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)C2)[nH+]c1 ZINC001164875160 721222117 /nfs/dbraw/zinc/22/21/17/721222117.db2.gz XAOFVULUSRUOLW-UHFFFAOYSA-N 2 2 393.535 2.948 20 0 GFADLP COc1ccc2cc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165011565 721742540 /nfs/dbraw/zinc/74/25/40/721742540.db2.gz ZBLKUAHDDUIJGG-UHFFFAOYSA-N 2 2 382.508 2.766 20 0 GFADLP C[C@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCOCC1 ZINC000120344279 551219630 /nfs/dbraw/zinc/21/96/30/551219630.db2.gz AXVVYJHVTLEDCN-CQSZACIVSA-N 2 2 393.329 2.897 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCc2ccccc2Br)CC1 ZINC000125234221 551321018 /nfs/dbraw/zinc/32/10/18/551321018.db2.gz CXNZCXHUKKWZBR-UHFFFAOYSA-N 2 2 396.373 2.914 20 0 GFADLP Cc1ccc2[nH+]cc(C[NH2+]CCNC(=O)c3cccc(Br)c3)n2c1 ZINC000156785865 551528159 /nfs/dbraw/zinc/52/81/59/551528159.db2.gz JQCVGGCAGAAIOO-UHFFFAOYSA-N 2 2 387.281 2.925 20 0 GFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](O)COc3ccccc3Br)n2c1 ZINC000157644089 551540408 /nfs/dbraw/zinc/54/04/08/551540408.db2.gz RQHIVYXEDIFBIK-HNNXBMFYSA-N 2 2 390.281 2.935 20 0 GFADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000162321499 551606676 /nfs/dbraw/zinc/60/66/76/551606676.db2.gz USFFZGQXMUSJDS-QGZVFWFLSA-N 2 2 394.288 2.966 20 0 GFADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191352366 552526134 /nfs/dbraw/zinc/52/61/34/552526134.db2.gz UYSNHRMJJKPRLT-UHFFFAOYSA-N 2 2 382.302 2.927 20 0 GFADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191352366 552526136 /nfs/dbraw/zinc/52/61/36/552526136.db2.gz UYSNHRMJJKPRLT-UHFFFAOYSA-N 2 2 382.302 2.927 20 0 GFADLP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000246175325 553103951 /nfs/dbraw/zinc/10/39/51/553103951.db2.gz FYCFRXJVGNRSBM-HOTGVXAUSA-N 2 2 385.936 2.655 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000261714856 553157302 /nfs/dbraw/zinc/15/73/02/553157302.db2.gz JODJHLUNIKZTLB-KRWDZBQOSA-N 2 2 377.286 2.683 20 0 GFADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848242 564252351 /nfs/dbraw/zinc/25/23/51/564252351.db2.gz KXLYGTGPPNEZHK-CYBMUJFWSA-N 2 2 379.245 2.595 20 0 GFADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848242 564252356 /nfs/dbraw/zinc/25/23/56/564252356.db2.gz KXLYGTGPPNEZHK-CYBMUJFWSA-N 2 2 379.245 2.595 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295127923 563230452 /nfs/dbraw/zinc/23/04/52/563230452.db2.gz OEAZZIAYCNTZNY-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295127923 563230454 /nfs/dbraw/zinc/23/04/54/563230454.db2.gz OEAZZIAYCNTZNY-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370710614 563253242 /nfs/dbraw/zinc/25/32/42/563253242.db2.gz UKWTUKHLHZWHPF-DNVCBOLYSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370710614 563253244 /nfs/dbraw/zinc/25/32/44/563253244.db2.gz UKWTUKHLHZWHPF-DNVCBOLYSA-N 2 2 396.373 2.916 20 0 GFADLP [NH3+]C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000420361228 563262858 /nfs/dbraw/zinc/26/28/58/563262858.db2.gz MXWFWWMJVHRBJQ-MRXNPFEDSA-N 2 2 389.359 2.720 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095534 563322380 /nfs/dbraw/zinc/32/23/80/563322380.db2.gz MSWDXMKDOCKDJB-WDEREUQCSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095534 563322383 /nfs/dbraw/zinc/32/23/83/563322383.db2.gz MSWDXMKDOCKDJB-WDEREUQCSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280249487 563329375 /nfs/dbraw/zinc/32/93/75/563329375.db2.gz WLTVPMQHUGTBFD-SNVBAGLBSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422995446 563352294 /nfs/dbraw/zinc/35/22/94/563352294.db2.gz YAWZPKNJSOACRC-ZDUSSCGKSA-N 2 2 391.313 2.944 20 0 GFADLP Brc1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c2c1 ZINC000423034257 563353413 /nfs/dbraw/zinc/35/34/13/563353413.db2.gz PQSCFEDZNQDMBD-MSOLQXFVSA-N 2 2 378.314 2.830 20 0 GFADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423099418 563355694 /nfs/dbraw/zinc/35/56/94/563355694.db2.gz AIUNPHUJYXJVMG-SJORKVTESA-N 2 2 379.913 2.661 20 0 GFADLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351819 563360152 /nfs/dbraw/zinc/36/01/52/563360152.db2.gz ZRJXXYWGHLRAOU-BONVTDFDSA-N 2 2 380.341 2.681 20 0 GFADLP COC(=O)CC1CC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000424287623 563376241 /nfs/dbraw/zinc/37/62/41/563376241.db2.gz XXVPKAGQVYMXKE-UHFFFAOYSA-N 2 2 380.286 2.879 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374798021 563382148 /nfs/dbraw/zinc/38/21/48/563382148.db2.gz GOGOVWQZPLXVAA-OAHLLOKOSA-N 2 2 383.330 2.669 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)ccc1F ZINC000375518414 563408404 /nfs/dbraw/zinc/40/84/04/563408404.db2.gz HHPLJZDIWQKPLE-LGFNAOKASA-N 2 2 395.276 2.992 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377256723 563468759 /nfs/dbraw/zinc/46/87/59/563468759.db2.gz MAFLZLKCTBDNPR-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377256723 563468761 /nfs/dbraw/zinc/46/87/61/563468761.db2.gz MAFLZLKCTBDNPR-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000378365256 563504732 /nfs/dbraw/zinc/50/47/32/563504732.db2.gz IUUCOWBFNWETPH-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000378365256 563504734 /nfs/dbraw/zinc/50/47/34/563504734.db2.gz IUUCOWBFNWETPH-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000362130017 563703669 /nfs/dbraw/zinc/70/36/69/563703669.db2.gz MECSWBZDOXPNCD-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000362130017 563703671 /nfs/dbraw/zinc/70/36/71/563703671.db2.gz MECSWBZDOXPNCD-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414968871 563755539 /nfs/dbraw/zinc/75/55/39/563755539.db2.gz DGKLYPFGRIZAHH-KSSFIOAISA-N 2 2 392.341 2.863 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415064857 563758013 /nfs/dbraw/zinc/75/80/13/563758013.db2.gz DXKXKEKGZNQVJI-INIZCTEOSA-N 2 2 381.318 2.510 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415064857 563758016 /nfs/dbraw/zinc/75/80/16/563758016.db2.gz DXKXKEKGZNQVJI-INIZCTEOSA-N 2 2 381.318 2.510 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146153 563760980 /nfs/dbraw/zinc/76/09/80/563760980.db2.gz YJICJYWXUODLLN-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146153 563760983 /nfs/dbraw/zinc/76/09/83/563760983.db2.gz YJICJYWXUODLLN-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000292230752 563779605 /nfs/dbraw/zinc/77/96/05/563779605.db2.gz UFRXPDYAITVLPQ-CQSZACIVSA-N 2 2 382.346 2.695 20 0 GFADLP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000366288043 563804197 /nfs/dbraw/zinc/80/41/97/563804197.db2.gz IOCDIICOWICXKJ-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000366288043 563804200 /nfs/dbraw/zinc/80/42/00/563804200.db2.gz IOCDIICOWICXKJ-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H](CNc1cc[nH+]c2c(Br)ccc(F)c12)N1CC[NH+](C)CC1 ZINC000443524910 563808166 /nfs/dbraw/zinc/80/81/66/563808166.db2.gz WNLUWMUKZJAMDX-GFCCVEGCSA-N 2 2 381.293 2.606 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000293693155 563821634 /nfs/dbraw/zinc/82/16/34/563821634.db2.gz CAHVPOGKEKKUTG-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449125874 563906994 /nfs/dbraw/zinc/90/69/94/563906994.db2.gz RXWVWPXMFWXQAR-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1Cc1ccccc1 ZINC000449373731 564181788 /nfs/dbraw/zinc/18/17/88/564181788.db2.gz CLJPFQOSSZSWIA-YJBOKZPZSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1Cc1ccccc1 ZINC000449373731 564181790 /nfs/dbraw/zinc/18/17/90/564181790.db2.gz CLJPFQOSSZSWIA-YJBOKZPZSA-N 2 2 390.325 2.863 20 0 GFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679272 564195513 /nfs/dbraw/zinc/19/55/13/564195513.db2.gz HTHXSUBIBWVFGN-GRDNDAEWSA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679272 564195519 /nfs/dbraw/zinc/19/55/19/564195519.db2.gz HTHXSUBIBWVFGN-GRDNDAEWSA-N 2 2 385.346 2.539 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201454 564213058 /nfs/dbraw/zinc/21/30/58/564213058.db2.gz BHCCVYTVHUSMKG-IRXDYDNUSA-N 2 2 380.330 2.830 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201454 564213061 /nfs/dbraw/zinc/21/30/61/564213061.db2.gz BHCCVYTVHUSMKG-IRXDYDNUSA-N 2 2 380.330 2.830 20 0 GFADLP C[C@](O)(CNc1cc[nH+]c2cc(F)c(Br)cc12)C[NH+]1CCOCC1 ZINC000450356023 564229111 /nfs/dbraw/zinc/22/91/11/564229111.db2.gz UDDDQYRPUSXNKH-KRWDZBQOSA-N 2 2 398.276 2.632 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540376107 564247117 /nfs/dbraw/zinc/24/71/17/564247117.db2.gz BKKJYDWFNJDYRA-SFHVURJKSA-N 2 2 380.330 2.654 20 0 GFADLP O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C[NH+]1CCCC1 ZINC000474633492 564283993 /nfs/dbraw/zinc/28/39/93/564283993.db2.gz UJZZHDAMMNLIFV-GFCCVEGCSA-N 2 2 397.235 2.894 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000474928888 564293669 /nfs/dbraw/zinc/29/36/69/564293669.db2.gz UPPGJDPNAHNLLH-SECBINFHSA-N 2 2 389.187 2.871 20 0 GFADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266644 564307920 /nfs/dbraw/zinc/30/79/20/564307920.db2.gz JKJUZLCVIFZCTC-INIZCTEOSA-N 2 2 383.330 2.749 20 0 GFADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266644 564307924 /nfs/dbraw/zinc/30/79/24/564307924.db2.gz JKJUZLCVIFZCTC-INIZCTEOSA-N 2 2 383.330 2.749 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232081 564362780 /nfs/dbraw/zinc/36/27/80/564362780.db2.gz ANBHWNJBNIYZGV-QANKJYHBSA-N 2 2 385.936 2.826 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232081 564362784 /nfs/dbraw/zinc/36/27/84/564362784.db2.gz ANBHWNJBNIYZGV-QANKJYHBSA-N 2 2 385.936 2.826 20 0 GFADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000567611150 564379338 /nfs/dbraw/zinc/37/93/38/564379338.db2.gz LUPVPMZPFYBMLY-GDBMZVCRSA-N 2 2 391.313 2.672 20 0 GFADLP C[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCC[NH2+]1 ZINC000567641203 564381491 /nfs/dbraw/zinc/38/14/91/564381491.db2.gz MYMQAWUCGLZKNJ-DOTOQJQBSA-N 2 2 385.599 2.585 20 0 GFADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544681740 564394165 /nfs/dbraw/zinc/39/41/65/564394165.db2.gz GUCKWBPOGJBOEF-ZDUSSCGKSA-N 2 2 396.333 2.935 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111545 564446669 /nfs/dbraw/zinc/44/66/69/564446669.db2.gz OVRZNFOWRWAQIC-MSOLQXFVSA-N 2 2 394.357 2.700 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111545 564446672 /nfs/dbraw/zinc/44/66/72/564446672.db2.gz OVRZNFOWRWAQIC-MSOLQXFVSA-N 2 2 394.357 2.700 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228117 564465175 /nfs/dbraw/zinc/46/51/75/564465175.db2.gz RLMMFOFDBGIMBO-SMDDNHRTSA-N 2 2 384.299 2.542 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186001 564496347 /nfs/dbraw/zinc/49/63/47/564496347.db2.gz UKMZCSCNKSGFPN-UONOGXRCSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186001 564496349 /nfs/dbraw/zinc/49/63/49/564496349.db2.gz UKMZCSCNKSGFPN-UONOGXRCSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186001 564496353 /nfs/dbraw/zinc/49/63/53/564496353.db2.gz UKMZCSCNKSGFPN-UONOGXRCSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186001 564496355 /nfs/dbraw/zinc/49/63/55/564496355.db2.gz UKMZCSCNKSGFPN-UONOGXRCSA-N 2 2 377.476 2.877 20 0 GFADLP CN(C)c1cc(NC(=O)Cn2c[nH+]c3c2CCCC3)[nH+]cc1Br ZINC000570533451 564510755 /nfs/dbraw/zinc/51/07/55/564510755.db2.gz QHRAOSHQVLXTOI-UHFFFAOYSA-N 2 2 378.274 2.624 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547979825 564526553 /nfs/dbraw/zinc/52/65/53/564526553.db2.gz QBVMGGIEYZVVAV-IUODEOHRSA-N 2 2 377.286 2.967 20 0 GFADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000517595220 564537749 /nfs/dbraw/zinc/53/77/49/564537749.db2.gz PTUOMHVVQLEWKD-CYBMUJFWSA-N 2 2 377.286 2.919 20 0 GFADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000517595220 564537753 /nfs/dbraw/zinc/53/77/53/564537753.db2.gz PTUOMHVVQLEWKD-CYBMUJFWSA-N 2 2 377.286 2.919 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]cc1Br ZINC000455861038 564575907 /nfs/dbraw/zinc/57/59/07/564575907.db2.gz FXVLXAXHZMKMKF-LBPRGKRZSA-N 2 2 384.322 2.716 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]cc1Br ZINC000455861038 564575909 /nfs/dbraw/zinc/57/59/09/564575909.db2.gz FXVLXAXHZMKMKF-LBPRGKRZSA-N 2 2 384.322 2.716 20 0 GFADLP Cc1cc(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000457561045 564665575 /nfs/dbraw/zinc/66/55/75/564665575.db2.gz SNTFMSSTCPFCSG-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1cc(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000457561045 564665577 /nfs/dbraw/zinc/66/55/77/564665577.db2.gz SNTFMSSTCPFCSG-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)(C)C[NH+](C)C ZINC000575377383 564697638 /nfs/dbraw/zinc/69/76/38/564697638.db2.gz NOJMTHGLHGEISE-CYBMUJFWSA-N 2 2 391.375 2.789 20 0 GFADLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(Br)cn12)C[C@@H]1CCCO1 ZINC000577304853 564733682 /nfs/dbraw/zinc/73/36/82/564733682.db2.gz AVILZPXBDLGEMS-INIZCTEOSA-N 2 2 381.318 2.639 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CCOC)cc(Br)c1O ZINC000459401935 564742224 /nfs/dbraw/zinc/74/22/24/564742224.db2.gz JJTPYVOFVDJDQQ-CQSZACIVSA-N 2 2 387.318 2.754 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2CCOC)cc(Br)c1O ZINC000459401935 564742226 /nfs/dbraw/zinc/74/22/26/564742226.db2.gz JJTPYVOFVDJDQQ-CQSZACIVSA-N 2 2 387.318 2.754 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc(Br)c1O ZINC000459436272 564744653 /nfs/dbraw/zinc/74/46/53/564744653.db2.gz QIMCGFVKMKBSAY-CYBMUJFWSA-N 2 2 387.318 2.611 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318152 564797340 /nfs/dbraw/zinc/79/73/40/564797340.db2.gz CVDPUBIXFUYNEU-IUODEOHRSA-N 2 2 398.276 2.551 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680267 564837259 /nfs/dbraw/zinc/83/72/59/564837259.db2.gz MYDXNGITEWBAPS-KBXCAEBGSA-N 2 2 394.357 2.870 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680267 564837266 /nfs/dbraw/zinc/83/72/66/564837266.db2.gz MYDXNGITEWBAPS-KBXCAEBGSA-N 2 2 394.357 2.870 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698282 564837412 /nfs/dbraw/zinc/83/74/12/564837412.db2.gz UXJBXHHUQPBMET-GUYCJALGSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698282 564837414 /nfs/dbraw/zinc/83/74/14/564837414.db2.gz UXJBXHHUQPBMET-GUYCJALGSA-N 2 2 380.330 2.641 20 0 GFADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000529495916 564838681 /nfs/dbraw/zinc/83/86/81/564838681.db2.gz XPLGZBRMKDMMNH-UHFFFAOYSA-N 2 2 391.313 2.735 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495015114 564845468 /nfs/dbraw/zinc/84/54/68/564845468.db2.gz DZHFNVZUBOFSLP-ZFWWWQNUSA-N 2 2 380.286 2.792 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495015114 564845472 /nfs/dbraw/zinc/84/54/72/564845472.db2.gz DZHFNVZUBOFSLP-ZFWWWQNUSA-N 2 2 380.286 2.792 20 0 GFADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000464955590 564921298 /nfs/dbraw/zinc/92/12/98/564921298.db2.gz WPRGTUNUMKSATC-SWLSCSKDSA-N 2 2 394.317 2.625 20 0 GFADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000464955590 564921303 /nfs/dbraw/zinc/92/13/03/564921303.db2.gz WPRGTUNUMKSATC-SWLSCSKDSA-N 2 2 394.317 2.625 20 0 GFADLP COC(=O)C[NH+]1CCC(Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000467380803 564961774 /nfs/dbraw/zinc/96/17/74/564961774.db2.gz GZHBOPRRSBUBNT-UHFFFAOYSA-N 2 2 384.318 2.560 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cncc3Br)cc2)C1 ZINC000657596187 565111259 /nfs/dbraw/zinc/11/12/59/565111259.db2.gz MBSGPENSBIEISZ-OAHLLOKOSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cncc3Br)cc2)C1 ZINC000657596187 565111263 /nfs/dbraw/zinc/11/12/63/565111263.db2.gz MBSGPENSBIEISZ-OAHLLOKOSA-N 2 2 394.288 2.840 20 0 GFADLP C[NH+](C)C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474176 565158790 /nfs/dbraw/zinc/15/87/90/565158790.db2.gz XCWFUJJQWJSLCU-BLLLJJGKSA-N 2 2 382.295 2.717 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cnn2c1 ZINC000638184568 565187952 /nfs/dbraw/zinc/18/79/52/565187952.db2.gz YSDHNAWZSQETBD-CXAGYDPISA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184568 565187954 /nfs/dbraw/zinc/18/79/54/565187954.db2.gz YSDHNAWZSQETBD-CXAGYDPISA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184568 565187957 /nfs/dbraw/zinc/18/79/57/565187957.db2.gz YSDHNAWZSQETBD-CXAGYDPISA-N 2 2 390.329 2.941 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000638595601 565204297 /nfs/dbraw/zinc/20/42/97/565204297.db2.gz IUVKZHNPZCDPJC-HOCLYGCPSA-N 2 2 393.329 2.703 20 0 GFADLP Cc1csc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1Br ZINC000638985214 565219742 /nfs/dbraw/zinc/21/97/42/565219742.db2.gz CQFPMEGZGHZZMB-UHFFFAOYSA-N 2 2 381.299 2.876 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591459042 565230597 /nfs/dbraw/zinc/23/05/97/565230597.db2.gz YKBNCPCYINEBNY-SJLPKXTDSA-N 2 2 394.357 2.996 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591459042 565230600 /nfs/dbraw/zinc/23/06/00/565230600.db2.gz YKBNCPCYINEBNY-SJLPKXTDSA-N 2 2 394.357 2.996 20 0 GFADLP C[NH+]1CCO[C@@H](CSCC(CSC[C@H]2C[N@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359290 565272962 /nfs/dbraw/zinc/27/29/62/565272962.db2.gz RRWRNSJZJRUHCF-QZTJIDSGSA-N 2 2 390.659 2.776 20 0 GFADLP C[NH+]1CCO[C@@H](CSCC(CSC[C@H]2C[N@@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359290 565272965 /nfs/dbraw/zinc/27/29/65/565272965.db2.gz RRWRNSJZJRUHCF-QZTJIDSGSA-N 2 2 390.659 2.776 20 0 GFADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288340 /nfs/dbraw/zinc/28/83/40/565288340.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288342 /nfs/dbraw/zinc/28/83/42/565288342.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288343 /nfs/dbraw/zinc/28/83/43/565288343.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288345 /nfs/dbraw/zinc/28/83/45/565288345.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 2 392.341 2.972 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000662427592 565367852 /nfs/dbraw/zinc/36/78/52/565367852.db2.gz RMPOGDBSEOXSNU-UHFFFAOYSA-N 2 2 381.299 2.857 20 0 GFADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663536 565380688 /nfs/dbraw/zinc/38/06/88/565380688.db2.gz NUAAYSFLLJUONO-NHYWBVRUSA-N 2 2 376.448 2.856 20 0 GFADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663536 565380694 /nfs/dbraw/zinc/38/06/94/565380694.db2.gz NUAAYSFLLJUONO-NHYWBVRUSA-N 2 2 376.448 2.856 20 0 GFADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662686096 565382510 /nfs/dbraw/zinc/38/25/10/565382510.db2.gz APSARDCNWKUSNQ-SECBINFHSA-N 2 2 383.315 2.685 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000641785768 565399585 /nfs/dbraw/zinc/39/95/85/565399585.db2.gz DTCVSUIIEBINHZ-IAGOWNOFSA-N 2 2 396.373 2.896 20 0 GFADLP Cc1nc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(Br)c(C)[nH+]1 ZINC000663486942 565422499 /nfs/dbraw/zinc/42/24/99/565422499.db2.gz WLWKEPCMPRHKBI-ZIAGYGMSSA-N 2 2 396.377 2.851 20 0 GFADLP Cc1ccc(Br)c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645407562 565523856 /nfs/dbraw/zinc/52/38/56/565523856.db2.gz DWIUIEFBYDMHBH-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1ccc(Br)c(C)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645407562 565523857 /nfs/dbraw/zinc/52/38/57/565523857.db2.gz DWIUIEFBYDMHBH-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nc3ccc(Br)cc3o1)CCO2 ZINC000646106644 565586406 /nfs/dbraw/zinc/58/64/06/565586406.db2.gz IOFBMZLBFNDGRI-UHFFFAOYSA-N 2 2 380.286 2.887 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nc3ccc(Br)cc3o1)CCO2 ZINC000646106644 565586412 /nfs/dbraw/zinc/58/64/12/565586412.db2.gz IOFBMZLBFNDGRI-UHFFFAOYSA-N 2 2 380.286 2.887 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273476 565614931 /nfs/dbraw/zinc/61/49/31/565614931.db2.gz NXDOBVUFPQMUNA-INIZCTEOSA-N 2 2 377.286 2.921 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668037183 565622537 /nfs/dbraw/zinc/62/25/37/565622537.db2.gz OKYBIYDUBSQJFA-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)c(Br)c1F ZINC000668037183 565622543 /nfs/dbraw/zinc/62/25/43/565622543.db2.gz OKYBIYDUBSQJFA-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP CC[C@@H](Cn1cncn1)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000671120680 565753181 /nfs/dbraw/zinc/75/31/81/565753181.db2.gz IBQIMRBGVRRBDH-AWEZNQCLSA-N 2 2 377.290 2.608 20 0 GFADLP COCCOCC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000651486658 565865811 /nfs/dbraw/zinc/86/58/11/565865811.db2.gz GTYDRSIISCTENV-UHFFFAOYSA-N 2 2 394.313 2.782 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395098 565902764 /nfs/dbraw/zinc/90/27/64/565902764.db2.gz RJXPJULEZMEOOB-CQSZACIVSA-N 2 2 390.329 2.973 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395098 565902765 /nfs/dbraw/zinc/90/27/65/565902765.db2.gz RJXPJULEZMEOOB-CQSZACIVSA-N 2 2 390.329 2.973 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000653095193 565955318 /nfs/dbraw/zinc/95/53/18/565955318.db2.gz CVPRGSDUJGPKDR-QGZVFWFLSA-N 2 2 388.339 2.890 20 0 GFADLP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631701028 565968803 /nfs/dbraw/zinc/96/88/03/565968803.db2.gz GLYYOESCHAAHAD-NQYYFHDYSA-N 2 2 377.326 2.930 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622876 565975240 /nfs/dbraw/zinc/97/52/40/565975240.db2.gz ZFQIHHCQDJJFIY-SJORKVTESA-N 2 2 389.309 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622876 565975242 /nfs/dbraw/zinc/97/52/42/565975242.db2.gz ZFQIHHCQDJJFIY-SJORKVTESA-N 2 2 389.309 2.568 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885924 565981161 /nfs/dbraw/zinc/98/11/61/565981161.db2.gz FEDLCQYCTDUYSC-LXZKKBNFSA-N 2 2 380.330 2.700 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885924 565981163 /nfs/dbraw/zinc/98/11/63/565981163.db2.gz FEDLCQYCTDUYSC-LXZKKBNFSA-N 2 2 380.330 2.700 20 0 GFADLP Cc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000654969030 566033234 /nfs/dbraw/zinc/03/32/34/566033234.db2.gz GRIQEOHAYFZREI-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000654969030 566033240 /nfs/dbraw/zinc/03/32/40/566033240.db2.gz GRIQEOHAYFZREI-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655725428 566084311 /nfs/dbraw/zinc/08/43/11/566084311.db2.gz TURUUGGKSLIBIK-INIZCTEOSA-N 2 2 396.329 2.539 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1OC ZINC000655724832 566084713 /nfs/dbraw/zinc/08/47/13/566084713.db2.gz HRTXFWMBSBFMCF-OAHLLOKOSA-N 2 2 399.329 2.809 20 0 GFADLP OC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737159 566086094 /nfs/dbraw/zinc/08/60/94/566086094.db2.gz WGGACXAGOGIQAM-ROUUACIJSA-N 2 2 383.330 2.716 20 0 GFADLP CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000683147379 566185420 /nfs/dbraw/zinc/18/54/20/566185420.db2.gz BTVHEHBOINETCT-UHFFFAOYSA-N 2 2 382.555 2.616 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771276 566213294 /nfs/dbraw/zinc/21/32/94/566213294.db2.gz DMHFCQIRFUYCRX-CZUORRHYSA-N 2 2 378.318 2.578 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000683771276 566213297 /nfs/dbraw/zinc/21/32/97/566213297.db2.gz DMHFCQIRFUYCRX-CZUORRHYSA-N 2 2 378.318 2.578 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC000657090334 566220651 /nfs/dbraw/zinc/22/06/51/566220651.db2.gz BXXUZOFTVFGGIQ-UHFFFAOYSA-N 2 2 389.974 2.717 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC000657090334 566220652 /nfs/dbraw/zinc/22/06/52/566220652.db2.gz BXXUZOFTVFGGIQ-UHFFFAOYSA-N 2 2 389.974 2.717 20 0 GFADLP C[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736026699 599269540 /nfs/dbraw/zinc/26/95/40/599269540.db2.gz QBDZIZMUODKEKZ-HNNXBMFYSA-N 2 2 385.475 2.696 20 0 GFADLP C[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736026699 599269541 /nfs/dbraw/zinc/26/95/41/599269541.db2.gz QBDZIZMUODKEKZ-HNNXBMFYSA-N 2 2 385.475 2.696 20 0 GFADLP CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000735875164 598532773 /nfs/dbraw/zinc/53/27/73/598532773.db2.gz ZYPWZOKBRIXRHV-NRFANRHFSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000735875164 598532774 /nfs/dbraw/zinc/53/27/74/598532774.db2.gz ZYPWZOKBRIXRHV-NRFANRHFSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000735875164 598532775 /nfs/dbraw/zinc/53/27/75/598532775.db2.gz ZYPWZOKBRIXRHV-NRFANRHFSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000735875164 598532777 /nfs/dbraw/zinc/53/27/77/598532777.db2.gz ZYPWZOKBRIXRHV-NRFANRHFSA-N 2 2 394.523 2.570 20 0 GFADLP c1cn(CCC[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)c[nH+]1 ZINC000738410729 598560723 /nfs/dbraw/zinc/56/07/23/598560723.db2.gz MWMAUOYDRMNSOK-UHFFFAOYSA-N 2 2 389.463 2.822 20 0 GFADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779346 599527846 /nfs/dbraw/zinc/52/78/46/599527846.db2.gz ATRYARPPDUXMQS-GOSISDBHSA-N 2 2 399.502 2.813 20 0 GFADLP c1ccc(CC[N@H+]2CC[C@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779346 599527848 /nfs/dbraw/zinc/52/78/48/599527848.db2.gz ATRYARPPDUXMQS-GOSISDBHSA-N 2 2 399.502 2.813 20 0 GFADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000822741040 607479367 /nfs/dbraw/zinc/47/93/67/607479367.db2.gz QLECWWAMJZISOU-KRWDZBQOSA-N 2 2 380.471 2.660 20 0 GFADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000822741040 607479369 /nfs/dbraw/zinc/47/93/69/607479369.db2.gz QLECWWAMJZISOU-KRWDZBQOSA-N 2 2 380.471 2.660 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000822698951 607486038 /nfs/dbraw/zinc/48/60/38/607486038.db2.gz JJFHKFIOYFTALL-GOSISDBHSA-N 2 2 377.427 2.813 20 0 GFADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)c1 ZINC000822308707 606407307 /nfs/dbraw/zinc/40/73/07/606407307.db2.gz IXUPMLWDFJSARW-UHFFFAOYSA-N 2 2 397.552 2.539 20 0 GFADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479026 606489582 /nfs/dbraw/zinc/48/95/82/606489582.db2.gz XQFBDSYKZCWCEU-OAHLLOKOSA-N 2 2 389.410 2.810 20 0 GFADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479026 606489583 /nfs/dbraw/zinc/48/95/83/606489583.db2.gz XQFBDSYKZCWCEU-OAHLLOKOSA-N 2 2 389.410 2.810 20 0 GFADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479025 606489740 /nfs/dbraw/zinc/48/97/40/606489740.db2.gz XQFBDSYKZCWCEU-HNNXBMFYSA-N 2 2 389.410 2.810 20 0 GFADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C1 ZINC000822479025 606489742 /nfs/dbraw/zinc/48/97/42/606489742.db2.gz XQFBDSYKZCWCEU-HNNXBMFYSA-N 2 2 389.410 2.810 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253198 606500339 /nfs/dbraw/zinc/50/03/39/606500339.db2.gz DVFGEWLENVSZJE-IUODEOHRSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253198 606500341 /nfs/dbraw/zinc/50/03/41/606500341.db2.gz DVFGEWLENVSZJE-IUODEOHRSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253198 606500342 /nfs/dbraw/zinc/50/03/42/606500342.db2.gz DVFGEWLENVSZJE-IUODEOHRSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@H]1C ZINC000821253198 606500344 /nfs/dbraw/zinc/50/03/44/606500344.db2.gz DVFGEWLENVSZJE-IUODEOHRSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253200 606500574 /nfs/dbraw/zinc/50/05/74/606500574.db2.gz DVFGEWLENVSZJE-SWLSCSKDSA-N 2 2 380.443 2.773 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253200 606500575 /nfs/dbraw/zinc/50/05/75/606500575.db2.gz DVFGEWLENVSZJE-SWLSCSKDSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253200 606500576 /nfs/dbraw/zinc/50/05/76/606500576.db2.gz DVFGEWLENVSZJE-SWLSCSKDSA-N 2 2 380.443 2.773 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)C[C@@H]1C ZINC000821253200 606500577 /nfs/dbraw/zinc/50/05/77/606500577.db2.gz DVFGEWLENVSZJE-SWLSCSKDSA-N 2 2 380.443 2.773 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980421 660212778 /nfs/dbraw/zinc/21/27/78/660212778.db2.gz ASXBRJKVABYGCO-FZMZJTMJSA-N 2 2 376.469 2.860 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1OC ZINC000131439356 654907150 /nfs/dbraw/zinc/90/71/50/654907150.db2.gz PUQOHGCPWPRBEC-KRWDZBQOSA-N 2 2 389.334 2.649 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867801 654989571 /nfs/dbraw/zinc/98/95/71/654989571.db2.gz FRZAJEJZSDBPFQ-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867801 654989572 /nfs/dbraw/zinc/98/95/72/654989572.db2.gz FRZAJEJZSDBPFQ-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934962 654991832 /nfs/dbraw/zinc/99/18/32/654991832.db2.gz RLEAWCQVQNZYLJ-JKSUJKDBSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934962 654991835 /nfs/dbraw/zinc/99/18/35/654991835.db2.gz RLEAWCQVQNZYLJ-JKSUJKDBSA-N 2 2 384.293 2.505 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938369 661063998 /nfs/dbraw/zinc/06/39/98/661063998.db2.gz FHPYBEFUNXEMHP-KGLIPLIRSA-N 2 2 385.302 2.506 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938369 661064003 /nfs/dbraw/zinc/06/40/03/661064003.db2.gz FHPYBEFUNXEMHP-KGLIPLIRSA-N 2 2 385.302 2.506 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000120318017 655334970 /nfs/dbraw/zinc/33/49/70/655334970.db2.gz HQPJLEUZPRIDGI-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000576400104 655446784 /nfs/dbraw/zinc/44/67/84/655446784.db2.gz WEMDZMYGFIFYRI-ZIAGYGMSSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000576400104 655446785 /nfs/dbraw/zinc/44/67/85/655446785.db2.gz WEMDZMYGFIFYRI-ZIAGYGMSSA-N 2 2 399.329 2.869 20 0 GFADLP Cc1cnc(Br)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000813004705 660039803 /nfs/dbraw/zinc/03/98/03/660039803.db2.gz OXVWHGXKODJMFG-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1cnc(Br)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000813004705 660039812 /nfs/dbraw/zinc/03/98/12/660039812.db2.gz OXVWHGXKODJMFG-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873084 662704140 /nfs/dbraw/zinc/70/41/40/662704140.db2.gz YIKKDMCDQVVJCI-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873084 662704142 /nfs/dbraw/zinc/70/41/42/662704142.db2.gz YIKKDMCDQVVJCI-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570687 662929774 /nfs/dbraw/zinc/92/97/74/662929774.db2.gz DOUSKAXFZYEFHS-QGPMSJSTSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879570687 662929775 /nfs/dbraw/zinc/92/97/75/662929775.db2.gz DOUSKAXFZYEFHS-QGPMSJSTSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570687 662929777 /nfs/dbraw/zinc/92/97/77/662929777.db2.gz DOUSKAXFZYEFHS-QGPMSJSTSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570687 662929779 /nfs/dbraw/zinc/92/97/79/662929779.db2.gz DOUSKAXFZYEFHS-QGPMSJSTSA-N 2 2 394.357 2.822 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000891402886 663338405 /nfs/dbraw/zinc/33/84/05/663338405.db2.gz YVCNBRAAFISCDR-UHFFFAOYSA-N 2 2 384.293 2.958 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000891402886 663338409 /nfs/dbraw/zinc/33/84/09/663338409.db2.gz YVCNBRAAFISCDR-UHFFFAOYSA-N 2 2 384.293 2.958 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571961 663469600 /nfs/dbraw/zinc/46/96/00/663469600.db2.gz BGQNNXGJHPQHBD-CYBMUJFWSA-N 2 2 381.933 2.746 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571961 663469602 /nfs/dbraw/zinc/46/96/02/663469602.db2.gz BGQNNXGJHPQHBD-CYBMUJFWSA-N 2 2 381.933 2.746 20 0 GFADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895435552 663513752 /nfs/dbraw/zinc/51/37/52/663513752.db2.gz IKZDYXFKQVTRCP-KRWDZBQOSA-N 2 2 396.329 2.750 20 0 GFADLP CC(C)Oc1cc(Br)cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000905294236 663864532 /nfs/dbraw/zinc/86/45/32/663864532.db2.gz SMIPJFDLDSLTDL-UHFFFAOYSA-N 2 2 399.333 2.781 20 0 GFADLP Cc1nc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)sc1Br ZINC000921541121 664552634 /nfs/dbraw/zinc/55/26/34/664552634.db2.gz YKUGLRZKZIWGIG-UHFFFAOYSA-N 2 2 396.358 2.651 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925569197 664673100 /nfs/dbraw/zinc/67/31/00/664673100.db2.gz ZKOCNUIHJOJICN-MRXNPFEDSA-N 2 2 380.330 2.672 20 0 GFADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnc1Br ZINC000930095882 664762745 /nfs/dbraw/zinc/76/27/45/664762745.db2.gz NSSAVLZYXNNFGK-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnc1Br ZINC000930095882 664762748 /nfs/dbraw/zinc/76/27/48/664762748.db2.gz NSSAVLZYXNNFGK-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931431280 664794718 /nfs/dbraw/zinc/79/47/18/664794718.db2.gz WAXFQUAJRYEITK-KGLIPLIRSA-N 2 2 377.286 2.883 20 0 GFADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931431280 664794719 /nfs/dbraw/zinc/79/47/19/664794719.db2.gz WAXFQUAJRYEITK-KGLIPLIRSA-N 2 2 377.286 2.883 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931431280 664794720 /nfs/dbraw/zinc/79/47/20/664794720.db2.gz WAXFQUAJRYEITK-KGLIPLIRSA-N 2 2 377.286 2.883 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)C[C@@H]2C1 ZINC000931431280 664794721 /nfs/dbraw/zinc/79/47/21/664794721.db2.gz WAXFQUAJRYEITK-KGLIPLIRSA-N 2 2 377.286 2.883 20 0 GFADLP Cc1c(Br)ccc(F)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620667 664830223 /nfs/dbraw/zinc/83/02/23/664830223.db2.gz AWAJFIQVSRDDHN-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)ccc(F)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620667 664830225 /nfs/dbraw/zinc/83/02/25/664830225.db2.gz AWAJFIQVSRDDHN-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818751 720150808 /nfs/dbraw/zinc/15/08/08/720150808.db2.gz UMPJKUYMDGVIBF-QDNDCFDWSA-N 2 2 399.535 2.761 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)C2 ZINC001164818751 720150816 /nfs/dbraw/zinc/15/08/16/720150816.db2.gz UMPJKUYMDGVIBF-QDNDCFDWSA-N 2 2 399.535 2.761 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818704 720164392 /nfs/dbraw/zinc/16/43/92/720164392.db2.gz UGKSNNCBBFUUIC-DENIHFKCSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818704 720164404 /nfs/dbraw/zinc/16/44/04/720164404.db2.gz UGKSNNCBBFUUIC-DENIHFKCSA-N 2 2 385.556 2.652 20 0 GFADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164724618 720316457 /nfs/dbraw/zinc/31/64/57/720316457.db2.gz SCZHUWRZMXGJFE-FQEVSTJZSA-N 2 2 396.539 2.695 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839204 720505953 /nfs/dbraw/zinc/50/59/53/720505953.db2.gz SZBZEVVOEFCGBB-OKZBNKHCSA-N 2 2 379.512 2.841 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839204 720505960 /nfs/dbraw/zinc/50/59/60/720505960.db2.gz SZBZEVVOEFCGBB-OKZBNKHCSA-N 2 2 379.512 2.841 20 0 GFADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(-c3ccccc3)cc[nH+]1)CC2 ZINC001164749477 720950606 /nfs/dbraw/zinc/95/06/06/720950606.db2.gz GTJORMVCBGQQJM-UHFFFAOYSA-N 2 2 391.475 2.591 20 0 GFADLP CCCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)[nH+]1 ZINC001164983340 722129843 /nfs/dbraw/zinc/12/98/43/722129843.db2.gz UKADRKMESVOGGE-FPOVZHCZSA-N 2 2 381.524 2.860 20 0 GFADLP CCCc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)[nH+]1 ZINC001164983340 722129844 /nfs/dbraw/zinc/12/98/44/722129844.db2.gz UKADRKMESVOGGE-FPOVZHCZSA-N 2 2 381.524 2.860 20 0 GFADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983323 722147410 /nfs/dbraw/zinc/14/74/10/722147410.db2.gz UDKRMKKRCCUUIB-PMACEKPBSA-N 2 2 379.508 2.785 20 0 GFADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983323 722147413 /nfs/dbraw/zinc/14/74/13/722147413.db2.gz UDKRMKKRCCUUIB-PMACEKPBSA-N 2 2 379.508 2.785 20 0 GFADLP Cc1cccc(N2CCC(NC(=O)NCc3[nH+]ccn3CC(F)(F)F)CC2)[nH+]1 ZINC000359868610 212120497 /nfs/dbraw/zinc/12/04/97/212120497.db2.gz KLWDTCRMNVFSAM-UHFFFAOYSA-N 2 2 396.417 2.617 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550390 563545149 /nfs/dbraw/zinc/54/51/49/563545149.db2.gz OKSVDLQZRCNJEK-CQSZACIVSA-N 2 2 376.364 2.774 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550390 563545151 /nfs/dbraw/zinc/54/51/51/563545151.db2.gz OKSVDLQZRCNJEK-CQSZACIVSA-N 2 2 376.364 2.774 20 0 GFADLP Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093665050 551195665 /nfs/dbraw/zinc/19/56/65/551195665.db2.gz SBZSOPLDZDSIET-HNNXBMFYSA-N 2 2 393.325 2.879 20 0 GFADLP Brc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093665050 551195666 /nfs/dbraw/zinc/19/56/66/551195666.db2.gz SBZSOPLDZDSIET-HNNXBMFYSA-N 2 2 393.325 2.879 20 0 GFADLP Cc1ccc(Br)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000130314629 551363057 /nfs/dbraw/zinc/36/30/57/551363057.db2.gz OWKCCRZFLVYCTL-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000155506253 551501601 /nfs/dbraw/zinc/50/16/01/551501601.db2.gz DHANZDTYIWINBB-UHFFFAOYSA-N 2 2 381.314 2.613 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000155506253 551501604 /nfs/dbraw/zinc/50/16/04/551501604.db2.gz DHANZDTYIWINBB-UHFFFAOYSA-N 2 2 381.314 2.613 20 0 GFADLP Cn1cc[nH+]c1CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157150422 551533737 /nfs/dbraw/zinc/53/37/37/551533737.db2.gz MHNYNJDXSPSMFH-KRWDZBQOSA-N 2 2 391.313 2.664 20 0 GFADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1Br ZINC000175072306 552115182 /nfs/dbraw/zinc/11/51/82/552115182.db2.gz JXXREQPIJVZLBJ-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000181028916 552243152 /nfs/dbraw/zinc/24/31/52/552243152.db2.gz CJOJDGIJHABSNH-VXGBXAGGSA-N 2 2 392.352 2.639 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000182452372 552284545 /nfs/dbraw/zinc/28/45/45/552284545.db2.gz PNHFSEGDKWCRAQ-QGZVFWFLSA-N 2 2 386.323 2.799 20 0 GFADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000186596110 552391934 /nfs/dbraw/zinc/39/19/34/552391934.db2.gz AWNAPMUATDPYJT-UHFFFAOYSA-N 2 2 389.341 2.881 20 0 GFADLP [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cs1 ZINC000238044555 553085809 /nfs/dbraw/zinc/08/58/09/553085809.db2.gz DIWKEMKXFXGAFU-CYBMUJFWSA-N 2 2 382.892 2.789 20 0 GFADLP [NH3+]Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cs1 ZINC000238044555 553085811 /nfs/dbraw/zinc/08/58/11/553085811.db2.gz DIWKEMKXFXGAFU-CYBMUJFWSA-N 2 2 382.892 2.789 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245922051 553099873 /nfs/dbraw/zinc/09/98/73/553099873.db2.gz SUIFNPKMRSGEPE-CXAGYDPISA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245922051 553099874 /nfs/dbraw/zinc/09/98/74/553099874.db2.gz SUIFNPKMRSGEPE-CXAGYDPISA-N 2 2 391.313 2.664 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247959148 553126474 /nfs/dbraw/zinc/12/64/74/553126474.db2.gz FZUAHYGXWUTSNK-FUHWJXTLSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247959148 553126476 /nfs/dbraw/zinc/12/64/76/553126476.db2.gz FZUAHYGXWUTSNK-FUHWJXTLSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247959148 553126479 /nfs/dbraw/zinc/12/64/79/553126479.db2.gz FZUAHYGXWUTSNK-FUHWJXTLSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247959148 553126481 /nfs/dbraw/zinc/12/64/81/553126481.db2.gz FZUAHYGXWUTSNK-FUHWJXTLSA-N 2 2 394.357 2.824 20 0 GFADLP [NH3+]Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)co1 ZINC000262797798 553176384 /nfs/dbraw/zinc/17/63/84/553176384.db2.gz QAZSAMCUKDDJJB-UHFFFAOYSA-N 2 2 392.297 2.895 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370148673 563234687 /nfs/dbraw/zinc/23/46/87/563234687.db2.gz LWBVTIQZYZUARQ-NIKGAXFTSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370148673 563234690 /nfs/dbraw/zinc/23/46/90/563234690.db2.gz LWBVTIQZYZUARQ-NIKGAXFTSA-N 2 2 386.367 2.985 20 0 GFADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000373500945 563340871 /nfs/dbraw/zinc/34/08/71/563340871.db2.gz GXMQHTGRXUAIQM-MRXNPFEDSA-N 2 2 385.221 2.972 20 0 GFADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207033 563358605 /nfs/dbraw/zinc/35/86/05/563358605.db2.gz GKPVUKBJPVCCMT-JSGCOSHPSA-N 2 2 378.318 2.988 20 0 GFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246779 563359677 /nfs/dbraw/zinc/35/96/77/563359677.db2.gz PZOGBLNUOOEONI-DLBZAZTESA-N 2 2 381.929 2.989 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430466 563371850 /nfs/dbraw/zinc/37/18/50/563371850.db2.gz SLBVLZFGGDLORQ-KBMXLJTQSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430466 563371855 /nfs/dbraw/zinc/37/18/55/563371855.db2.gz SLBVLZFGGDLORQ-KBMXLJTQSA-N 2 2 397.313 2.861 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(F)cc1Br ZINC000375514054 563408306 /nfs/dbraw/zinc/40/83/06/563408306.db2.gz VLVJRRDANXWDBF-LGFNAOKASA-N 2 2 395.276 2.992 20 0 GFADLP CN(Cc1cc(O)ccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377617136 563480565 /nfs/dbraw/zinc/48/05/65/563480565.db2.gz ADMYGPQXFDLTGV-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP CN(Cc1cc(O)ccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377617136 563480569 /nfs/dbraw/zinc/48/05/69/563480569.db2.gz ADMYGPQXFDLTGV-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550387 563545098 /nfs/dbraw/zinc/54/50/98/563545098.db2.gz OKSVDLQZRCNJEK-AWEZNQCLSA-N 2 2 376.364 2.774 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000430550387 563545101 /nfs/dbraw/zinc/54/51/01/563545101.db2.gz OKSVDLQZRCNJEK-AWEZNQCLSA-N 2 2 376.364 2.774 20 0 GFADLP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000430562291 563545765 /nfs/dbraw/zinc/54/57/65/563545765.db2.gz QGNMOYMRUGKVBD-UHFFFAOYSA-N 2 2 389.359 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC2(CC[NH2+]C2)CC1)c1cc(Cl)ccc1Cl ZINC000431025794 563552282 /nfs/dbraw/zinc/55/22/82/563552282.db2.gz BWNFZECQBFEREU-UHFFFAOYSA-N 2 2 377.337 2.843 20 0 GFADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1(C)C ZINC000409642006 563567217 /nfs/dbraw/zinc/56/72/17/563567217.db2.gz PZCKAYNYPFUIBH-UHFFFAOYSA-N 2 2 395.320 2.996 20 0 GFADLP C[N@H+]1CCN(CCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1(C)C ZINC000409642006 563567221 /nfs/dbraw/zinc/56/72/21/563567221.db2.gz PZCKAYNYPFUIBH-UHFFFAOYSA-N 2 2 395.320 2.996 20 0 GFADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289400671 563673705 /nfs/dbraw/zinc/67/37/05/563673705.db2.gz AHTYFJZMNJUTFE-SJORKVTESA-N 2 2 393.329 2.564 20 0 GFADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439430043 563724012 /nfs/dbraw/zinc/72/40/12/563724012.db2.gz KIUHHJKAZLDFDH-INIZCTEOSA-N 2 2 389.309 2.790 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000439431075 563724021 /nfs/dbraw/zinc/72/40/21/563724021.db2.gz LHQRBRGGXIIJAE-DOMZBBRYSA-N 2 2 398.276 2.931 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000439431075 563724025 /nfs/dbraw/zinc/72/40/25/563724025.db2.gz LHQRBRGGXIIJAE-DOMZBBRYSA-N 2 2 398.276 2.931 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000363651084 563728997 /nfs/dbraw/zinc/72/89/97/563728997.db2.gz KBIAZFRSTKXUJC-SFHVURJKSA-N 2 2 394.357 2.796 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000363651084 563729001 /nfs/dbraw/zinc/72/90/01/563729001.db2.gz KBIAZFRSTKXUJC-SFHVURJKSA-N 2 2 394.357 2.796 20 0 GFADLP Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000363685384 563730046 /nfs/dbraw/zinc/73/00/46/563730046.db2.gz GTQRVENPXSHRHD-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000363685384 563730050 /nfs/dbraw/zinc/73/00/50/563730050.db2.gz GTQRVENPXSHRHD-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc(I)c1OC ZINC000414838995 563753450 /nfs/dbraw/zinc/75/34/50/563753450.db2.gz LFZBFNSHQJIYPM-GFCCVEGCSA-N 2 2 392.281 2.771 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415091887 563758587 /nfs/dbraw/zinc/75/85/87/563758587.db2.gz DIJCSMNCEWZAFT-JQWIXIFHSA-N 2 2 379.810 2.654 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958414 563770370 /nfs/dbraw/zinc/77/03/70/563770370.db2.gz ZGMTWBHOFRRPMU-PBHICJAKSA-N 2 2 378.318 2.541 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958414 563770371 /nfs/dbraw/zinc/77/03/71/563770371.db2.gz ZGMTWBHOFRRPMU-PBHICJAKSA-N 2 2 378.318 2.541 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c12 ZINC000443511086 563807367 /nfs/dbraw/zinc/80/73/67/563807367.db2.gz SCEOJIHYDITBQG-GFCCVEGCSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c12 ZINC000443511086 563807369 /nfs/dbraw/zinc/80/73/69/563807369.db2.gz SCEOJIHYDITBQG-GFCCVEGCSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c12 ZINC000443511087 563807406 /nfs/dbraw/zinc/80/74/06/563807406.db2.gz SCEOJIHYDITBQG-LBPRGKRZSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@H+](C4CC4)CCO3)c12 ZINC000443511087 563807409 /nfs/dbraw/zinc/80/74/09/563807409.db2.gz SCEOJIHYDITBQG-LBPRGKRZSA-N 2 2 380.261 2.833 20 0 GFADLP O=C(NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177536 563823586 /nfs/dbraw/zinc/82/35/86/563823586.db2.gz XGJKGPWOMQYUEY-IAGOWNOFSA-N 2 2 375.925 2.979 20 0 GFADLP O=C(NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177536 563823589 /nfs/dbraw/zinc/82/35/89/563823589.db2.gz XGJKGPWOMQYUEY-IAGOWNOFSA-N 2 2 375.925 2.979 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084627 563874318 /nfs/dbraw/zinc/87/43/18/563874318.db2.gz FCRYIGLUOUATCL-WFASDCNBSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@@H](C)C1 ZINC000447084627 563874321 /nfs/dbraw/zinc/87/43/21/563874321.db2.gz FCRYIGLUOUATCL-WFASDCNBSA-N 2 2 378.460 2.929 20 0 GFADLP CCC([NH3+])(CC)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000417994827 563894087 /nfs/dbraw/zinc/89/40/87/563894087.db2.gz AKZKCISGWIBUGF-UHFFFAOYSA-N 2 2 396.333 2.764 20 0 GFADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942684 564181437 /nfs/dbraw/zinc/18/14/37/564181437.db2.gz AWVGLLFHYMIYCD-UKRRQHHQSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942684 564181438 /nfs/dbraw/zinc/18/14/38/564181438.db2.gz AWVGLLFHYMIYCD-UKRRQHHQSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564951369 564258867 /nfs/dbraw/zinc/25/88/67/564258867.db2.gz HEEWSWYSVSSVFG-QRTARXTBSA-N 2 2 380.330 2.782 20 0 GFADLP Brc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(N2CCOCC2)c1 ZINC000473988142 564260556 /nfs/dbraw/zinc/26/05/56/564260556.db2.gz RFMCOQJQOGTSSE-INIZCTEOSA-N 2 2 391.313 2.587 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566230180 564318122 /nfs/dbraw/zinc/31/81/22/564318122.db2.gz PHNFYAWGJLZRQS-GOEBONIOSA-N 2 2 383.330 2.906 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566230180 564318127 /nfs/dbraw/zinc/31/81/27/564318127.db2.gz PHNFYAWGJLZRQS-GOEBONIOSA-N 2 2 383.330 2.906 20 0 GFADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1cc(Cl)ccc1Cl ZINC000510248337 564328188 /nfs/dbraw/zinc/32/81/88/564328188.db2.gz HKPZMEXWRICHDJ-UHFFFAOYSA-N 2 2 382.295 2.863 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544771914 564397980 /nfs/dbraw/zinc/39/79/80/564397980.db2.gz VRBAHHRJQGVWAR-OKILXGFUSA-N 2 2 393.329 2.937 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544771914 564397985 /nfs/dbraw/zinc/39/79/85/564397985.db2.gz VRBAHHRJQGVWAR-OKILXGFUSA-N 2 2 393.329 2.937 20 0 GFADLP C[N@H+](C[C@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568218 564424995 /nfs/dbraw/zinc/42/49/95/564424995.db2.gz LJOUOBWZULDPNX-KRWDZBQOSA-N 2 2 386.367 2.609 20 0 GFADLP C[N@@H+](C[C@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568218 564424999 /nfs/dbraw/zinc/42/49/99/564424999.db2.gz LJOUOBWZULDPNX-KRWDZBQOSA-N 2 2 386.367 2.609 20 0 GFADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000482035240 564532433 /nfs/dbraw/zinc/53/24/33/564532433.db2.gz FDPAZXJGSSMHKV-INIZCTEOSA-N 2 2 381.973 2.812 20 0 GFADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000482035240 564532434 /nfs/dbraw/zinc/53/24/34/564532434.db2.gz FDPAZXJGSSMHKV-INIZCTEOSA-N 2 2 381.973 2.812 20 0 GFADLP CN(C)c1cc(NC(=O)NCCCC[N@H+](C)C2CC2)[nH+]cc1Br ZINC000455866821 564576557 /nfs/dbraw/zinc/57/65/57/564576557.db2.gz NTKSZNVLYQZEHB-UHFFFAOYSA-N 2 2 384.322 2.906 20 0 GFADLP CN(C)c1cc(NC(=O)NCCCC[N@@H+](C)C2CC2)[nH+]cc1Br ZINC000455866821 564576560 /nfs/dbraw/zinc/57/65/60/564576560.db2.gz NTKSZNVLYQZEHB-UHFFFAOYSA-N 2 2 384.322 2.906 20 0 GFADLP CN(C)c1cc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)[nH+]cc1Br ZINC000455870864 564577687 /nfs/dbraw/zinc/57/76/87/564577687.db2.gz SPZWZTVNZMLJRT-ZDUSSCGKSA-N 2 2 396.289 2.928 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572148956 564583681 /nfs/dbraw/zinc/58/36/81/564583681.db2.gz LLCABOVFVDQZAH-AAEUAGOBSA-N 2 2 388.693 2.717 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587795 564620534 /nfs/dbraw/zinc/62/05/34/564620534.db2.gz AFUBGWSZOGYDGT-CRAIPNDOSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587795 564620539 /nfs/dbraw/zinc/62/05/39/564620539.db2.gz AFUBGWSZOGYDGT-CRAIPNDOSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000485592906 564621402 /nfs/dbraw/zinc/62/14/02/564621402.db2.gz PEVIMFHJXKTZKB-HOTGVXAUSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000573134620 564624268 /nfs/dbraw/zinc/62/42/68/564624268.db2.gz OIKCCNRPKOWJCD-OAHLLOKOSA-N 2 2 394.357 2.870 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573648286 564648122 /nfs/dbraw/zinc/64/81/22/564648122.db2.gz WTRFLCAIVATQLK-SFHVURJKSA-N 2 2 387.977 2.738 20 0 GFADLP O=C(C[NH2+]Cc1csc(-c2ccsc2)n1)NCC[NH+]1CCCCCC1 ZINC000552064832 564675561 /nfs/dbraw/zinc/67/55/61/564675561.db2.gz RPGFOZVPJRSKEK-UHFFFAOYSA-N 2 2 378.567 2.953 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ncc(Br)s1 ZINC000576286272 564712284 /nfs/dbraw/zinc/71/22/84/564712284.db2.gz QSAWCTCILQDZDK-UHFFFAOYSA-N 2 2 385.331 2.921 20 0 GFADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000459359322 564741328 /nfs/dbraw/zinc/74/13/28/564741328.db2.gz GNKIYWHXPCLSKN-UHFFFAOYSA-N 2 2 381.293 2.682 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459652533 564754830 /nfs/dbraw/zinc/75/48/30/564754830.db2.gz CHPAEEBLJKYYHM-UHFFFAOYSA-N 2 2 382.302 2.930 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ncc(Br)cc1F ZINC000527712549 564757666 /nfs/dbraw/zinc/75/76/66/564757666.db2.gz UTGSYTYNHOLLPZ-UHFFFAOYSA-N 2 2 397.292 2.999 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954498 564766059 /nfs/dbraw/zinc/76/60/59/564766059.db2.gz ZSAZBQSSKSBEPU-WMLDXEAASA-N 2 2 382.346 2.996 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954498 564766062 /nfs/dbraw/zinc/76/60/62/564766062.db2.gz ZSAZBQSSKSBEPU-WMLDXEAASA-N 2 2 382.346 2.996 20 0 GFADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@@H](C)O1 ZINC000584260982 564927906 /nfs/dbraw/zinc/92/79/06/564927906.db2.gz GDSCTHOTBWYMAO-ZIAGYGMSSA-N 2 2 381.318 2.686 20 0 GFADLP C[NH+](C)[C@]1(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000467750647 564970899 /nfs/dbraw/zinc/97/08/99/564970899.db2.gz AMJJHGUPXCCURE-OTWHNJEPSA-N 2 2 383.989 2.739 20 0 GFADLP C[NH+](C)[C@]1(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000467750647 564970902 /nfs/dbraw/zinc/97/09/02/564970902.db2.gz AMJJHGUPXCCURE-OTWHNJEPSA-N 2 2 383.989 2.739 20 0 GFADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268736 564983830 /nfs/dbraw/zinc/98/38/30/564983830.db2.gz PHNZEUAFAHYIDB-NVXWUHKLSA-N 2 2 378.929 2.716 20 0 GFADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268736 564983833 /nfs/dbraw/zinc/98/38/33/564983833.db2.gz PHNZEUAFAHYIDB-NVXWUHKLSA-N 2 2 378.929 2.716 20 0 GFADLP C[C@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[NH+]1CCOCC1 ZINC000534467400 564990096 /nfs/dbraw/zinc/99/00/96/564990096.db2.gz IJWQIFVZPLJOSM-CYBMUJFWSA-N 2 2 384.311 2.632 20 0 GFADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469132 564996366 /nfs/dbraw/zinc/99/63/66/564996366.db2.gz ZYLNCESDWAWEKJ-KBPBESRZSA-N 2 2 398.345 2.696 20 0 GFADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469132 564996368 /nfs/dbraw/zinc/99/63/68/564996368.db2.gz ZYLNCESDWAWEKJ-KBPBESRZSA-N 2 2 398.345 2.696 20 0 GFADLP Cc1cccc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC000537270008 565056373 /nfs/dbraw/zinc/05/63/73/565056373.db2.gz GZXHPSUQWIRDOI-UHFFFAOYSA-N 2 2 380.901 2.596 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657372163 565100256 /nfs/dbraw/zinc/10/02/56/565100256.db2.gz CENZVLCAGBUFDP-LJQANCHMSA-N 2 2 390.325 2.879 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000657372163 565100258 /nfs/dbraw/zinc/10/02/58/565100258.db2.gz CENZVLCAGBUFDP-LJQANCHMSA-N 2 2 390.325 2.879 20 0 GFADLP C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000638172051 565188027 /nfs/dbraw/zinc/18/80/27/565188027.db2.gz NHONFOWVBOIZMV-WFASDCNBSA-N 2 2 375.274 2.771 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000638172051 565188030 /nfs/dbraw/zinc/18/80/30/565188030.db2.gz NHONFOWVBOIZMV-WFASDCNBSA-N 2 2 375.274 2.771 20 0 GFADLP CC(C)[C@@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)N1CC[NH+](C)CC1 ZINC000638353339 565193519 /nfs/dbraw/zinc/19/35/19/565193519.db2.gz RGLQOSNCURNWJU-MRXNPFEDSA-N 2 2 395.345 2.952 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647920 565222466 /nfs/dbraw/zinc/22/24/66/565222466.db2.gz YRXLLFNGECBHFW-YOEHRIQHSA-N 2 2 397.361 2.835 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)nc12 ZINC000639062970 565223129 /nfs/dbraw/zinc/22/31/29/565223129.db2.gz XECCDYUPSOUDJB-UHFFFAOYSA-N 2 2 395.345 2.730 20 0 GFADLP C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767227 565258098 /nfs/dbraw/zinc/25/80/98/565258098.db2.gz LKWZLALPNKJBCK-CYBMUJFWSA-N 2 2 376.328 2.760 20 0 GFADLP C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767227 565258102 /nfs/dbraw/zinc/25/81/02/565258102.db2.gz LKWZLALPNKJBCK-CYBMUJFWSA-N 2 2 376.328 2.760 20 0 GFADLP COc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(I)c1OC ZINC000592433592 565276807 /nfs/dbraw/zinc/27/68/07/565276807.db2.gz IWDLAJLHSYPVBJ-UHFFFAOYSA-N 2 2 390.265 2.622 20 0 GFADLP COc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(I)c1OC ZINC000592433592 565276811 /nfs/dbraw/zinc/27/68/11/565276811.db2.gz IWDLAJLHSYPVBJ-UHFFFAOYSA-N 2 2 390.265 2.622 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298746 565359496 /nfs/dbraw/zinc/35/94/96/565359496.db2.gz XKWQUAKPDATIST-DYVFJYSZSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298746 565359500 /nfs/dbraw/zinc/35/95/00/565359500.db2.gz XKWQUAKPDATIST-DYVFJYSZSA-N 2 2 398.320 2.826 20 0 GFADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000594946606 565437166 /nfs/dbraw/zinc/43/71/66/565437166.db2.gz QLQUCBCHBLHDAY-BYCMXARLSA-N 2 2 380.286 2.735 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H](C)[NH+](C)C)[nH+]c12 ZINC000664658861 565472695 /nfs/dbraw/zinc/47/26/95/565472695.db2.gz HBUKXKJFGGNKJN-GFCCVEGCSA-N 2 2 382.306 2.545 20 0 GFADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644569469 565483077 /nfs/dbraw/zinc/48/30/77/565483077.db2.gz RHODJGNRHCDBOB-HOTGVXAUSA-N 2 2 389.309 2.792 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000665183211 565492598 /nfs/dbraw/zinc/49/25/98/565492598.db2.gz RTYQWJRFIAFHGT-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000665183211 565492602 /nfs/dbraw/zinc/49/26/02/565492602.db2.gz RTYQWJRFIAFHGT-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000665292470 565496337 /nfs/dbraw/zinc/49/63/37/565496337.db2.gz AMMKJQGAQVZVEZ-MRXNPFEDSA-N 2 2 381.249 2.783 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000595895248 565496585 /nfs/dbraw/zinc/49/65/85/565496585.db2.gz GOSDRJITDQDNFD-PBHICJAKSA-N 2 2 381.314 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000666619577 565545601 /nfs/dbraw/zinc/54/56/01/565545601.db2.gz YOXQFRGWUXEHHP-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000666619577 565545605 /nfs/dbraw/zinc/54/56/05/565545605.db2.gz YOXQFRGWUXEHHP-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000597028031 565549510 /nfs/dbraw/zinc/54/95/10/565549510.db2.gz ZYVVMSWSEOYOQW-AWEZNQCLSA-N 2 2 385.325 2.584 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000597028031 565549513 /nfs/dbraw/zinc/54/95/13/565549513.db2.gz ZYVVMSWSEOYOQW-AWEZNQCLSA-N 2 2 385.325 2.584 20 0 GFADLP O=C(C[C@H]1CC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557890 565607960 /nfs/dbraw/zinc/60/79/60/565607960.db2.gz BGXKWIMPZJRHEQ-OAHLLOKOSA-N 2 2 391.313 2.674 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639631 565658117 /nfs/dbraw/zinc/65/81/17/565658117.db2.gz KARLTMZRRZASIX-INIZCTEOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639631 565658121 /nfs/dbraw/zinc/65/81/21/565658121.db2.gz KARLTMZRRZASIX-INIZCTEOSA-N 2 2 394.357 2.964 20 0 GFADLP CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497372 565661799 /nfs/dbraw/zinc/66/17/99/565661799.db2.gz FETHAAYKHYUAKC-RHSMWYFYSA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1[NH3+] ZINC000647497372 565661800 /nfs/dbraw/zinc/66/18/00/565661800.db2.gz FETHAAYKHYUAKC-RHSMWYFYSA-N 2 2 382.346 2.845 20 0 GFADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985542 565668634 /nfs/dbraw/zinc/66/86/34/565668634.db2.gz SNQCGBJBCNLLAJ-MJGOQNOKSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985542 565668639 /nfs/dbraw/zinc/66/86/39/565668639.db2.gz SNQCGBJBCNLLAJ-MJGOQNOKSA-N 2 2 381.973 2.858 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814576 565677834 /nfs/dbraw/zinc/67/78/34/565677834.db2.gz ULLBNTZPFYSSKJ-UHFFFAOYSA-N 2 2 380.330 2.624 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814576 565677838 /nfs/dbraw/zinc/67/78/38/565677838.db2.gz ULLBNTZPFYSSKJ-UHFFFAOYSA-N 2 2 380.330 2.624 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977562 565686179 /nfs/dbraw/zinc/68/61/79/565686179.db2.gz DPMVPHUPACGOAJ-DCGLDWPTSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977562 565686184 /nfs/dbraw/zinc/68/61/84/565686184.db2.gz DPMVPHUPACGOAJ-DCGLDWPTSA-N 2 2 398.320 2.826 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387734 565849130 /nfs/dbraw/zinc/84/91/30/565849130.db2.gz JRQDBZMATNBKGB-UHFFFAOYSA-N 2 2 379.302 2.541 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313928 565856271 /nfs/dbraw/zinc/85/62/71/565856271.db2.gz OLDOVUJTLLPZOF-ZDUSSCGKSA-N 2 2 377.945 3.439 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313928 565856278 /nfs/dbraw/zinc/85/62/78/565856278.db2.gz OLDOVUJTLLPZOF-ZDUSSCGKSA-N 2 2 377.945 3.439 20 0 GFADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573408 565860358 /nfs/dbraw/zinc/86/03/58/565860358.db2.gz BIVBUKRJQFGDOZ-GDBMZVCRSA-N 2 2 386.323 2.535 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462356 565903703 /nfs/dbraw/zinc/90/37/03/565903703.db2.gz PRWHTGXSTRMOJM-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)s1 ZINC000675462356 565903706 /nfs/dbraw/zinc/90/37/06/565903706.db2.gz PRWHTGXSTRMOJM-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000652341189 565923227 /nfs/dbraw/zinc/92/32/27/565923227.db2.gz OLZCXOJLJRVBQO-GOSISDBHSA-N 2 2 388.309 2.753 20 0 GFADLP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000652341189 565923234 /nfs/dbraw/zinc/92/32/34/565923234.db2.gz OLZCXOJLJRVBQO-GOSISDBHSA-N 2 2 388.309 2.753 20 0 GFADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Br ZINC000631079120 565938437 /nfs/dbraw/zinc/93/84/37/565938437.db2.gz YVQSAWTYJQVGNP-PKOBYXMFSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1Br ZINC000631079120 565938440 /nfs/dbraw/zinc/93/84/40/565938440.db2.gz YVQSAWTYJQVGNP-PKOBYXMFSA-N 2 2 390.325 2.817 20 0 GFADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631090639 565940173 /nfs/dbraw/zinc/94/01/73/565940173.db2.gz HPLIQCXZARTTBE-CVEARBPZSA-N 2 2 388.737 2.965 20 0 GFADLP CCc1c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000653089214 565953948 /nfs/dbraw/zinc/95/39/48/565953948.db2.gz ATYQHWOTBXRCLX-AWEZNQCLSA-N 2 2 394.317 2.619 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679341645 566037603 /nfs/dbraw/zinc/03/76/03/566037603.db2.gz URYXAOCOPPEEBV-SQNIBIBYSA-N 2 2 382.346 2.505 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679341645 566037606 /nfs/dbraw/zinc/03/76/06/566037606.db2.gz URYXAOCOPPEEBV-SQNIBIBYSA-N 2 2 382.346 2.505 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679832513 566054600 /nfs/dbraw/zinc/05/46/00/566054600.db2.gz QYKIQLSZHWTAKI-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679832513 566054603 /nfs/dbraw/zinc/05/46/03/566054603.db2.gz QYKIQLSZHWTAKI-RBUKOAKNSA-N 2 2 393.325 2.565 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815020 566101695 /nfs/dbraw/zinc/10/16/95/566101695.db2.gz IXKNGSDYQYDGEU-HZPDHXFCSA-N 2 2 387.309 2.578 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(I)cc1 ZINC000610815020 566101700 /nfs/dbraw/zinc/10/17/00/566101700.db2.gz IXKNGSDYQYDGEU-HZPDHXFCSA-N 2 2 387.309 2.578 20 0 GFADLP CN(C(=O)c1cccc(Br)c1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683243746 566189790 /nfs/dbraw/zinc/18/97/90/566189790.db2.gz HHEPJTRTFZGXAY-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cccc(Br)c1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683243746 566189796 /nfs/dbraw/zinc/18/97/96/566189796.db2.gz HHEPJTRTFZGXAY-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP CC(C)C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000684552967 566238203 /nfs/dbraw/zinc/23/82/03/566238203.db2.gz WNYGXEJUIBHQKI-QGZVFWFLSA-N 2 2 382.346 2.900 20 0 GFADLP Cc1ccc([C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[NH+]2CCCC2)o1 ZINC000822230666 599517125 /nfs/dbraw/zinc/51/71/25/599517125.db2.gz NAZICHKWYKXTNC-GOSISDBHSA-N 2 2 389.463 2.987 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@@H]2CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823779419 599558771 /nfs/dbraw/zinc/55/87/71/599558771.db2.gz DADHSDIBZZGBJQ-QGZVFWFLSA-N 2 2 385.475 2.913 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@@H]2CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823779419 599558773 /nfs/dbraw/zinc/55/87/73/599558773.db2.gz DADHSDIBZZGBJQ-QGZVFWFLSA-N 2 2 385.475 2.913 20 0 GFADLP c1cc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517967 607478954 /nfs/dbraw/zinc/47/89/54/607478954.db2.gz WWNPEDYTIXGFQU-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517967 607478956 /nfs/dbraw/zinc/47/89/56/607478956.db2.gz WWNPEDYTIXGFQU-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517967 607478958 /nfs/dbraw/zinc/47/89/58/607478958.db2.gz WWNPEDYTIXGFQU-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517967 607478960 /nfs/dbraw/zinc/47/89/60/607478960.db2.gz WWNPEDYTIXGFQU-XLIONFOSSA-N 2 2 382.512 2.584 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826330833 608502785 /nfs/dbraw/zinc/50/27/85/608502785.db2.gz JXNGLAZFDDDQDG-IBGZPJMESA-N 2 2 386.463 2.923 20 0 GFADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618628 609133375 /nfs/dbraw/zinc/13/33/75/609133375.db2.gz QHMJMKDDRNENEJ-OAHLLOKOSA-N 2 2 396.470 2.689 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000266969706 654901285 /nfs/dbraw/zinc/90/12/85/654901285.db2.gz ZRDTUDYWLZITEF-UHFFFAOYSA-N 2 2 382.295 2.878 20 0 GFADLP CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838680554 661053853 /nfs/dbraw/zinc/05/38/53/661053853.db2.gz JMCQBSGGUPKNPD-NVXWUHKLSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCC[C@]1(C)CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838680554 661053854 /nfs/dbraw/zinc/05/38/54/661053854.db2.gz JMCQBSGGUPKNPD-NVXWUHKLSA-N 2 2 391.387 2.770 20 0 GFADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000276939489 655294271 /nfs/dbraw/zinc/29/42/71/655294271.db2.gz GHBSWIYZCCJPJJ-UHFFFAOYSA-N 2 2 392.297 2.720 20 0 GFADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Br)cc2)C1 ZINC000783975164 657278929 /nfs/dbraw/zinc/27/89/29/657278929.db2.gz KAIIICPAAPXZLN-ZDUSSCGKSA-N 2 2 391.313 2.981 20 0 GFADLP CN(CCC[N@H+](C)Cc1cc(Br)cnc1Cl)CC[NH+](C)C ZINC000843410510 661380295 /nfs/dbraw/zinc/38/02/95/661380295.db2.gz VNGUPZOFYXLHSX-UHFFFAOYSA-N 2 2 377.758 2.813 20 0 GFADLP CN(CCC[N@@H+](C)Cc1cc(Br)cnc1Cl)CC[NH+](C)C ZINC000843410510 661380300 /nfs/dbraw/zinc/38/03/00/661380300.db2.gz VNGUPZOFYXLHSX-UHFFFAOYSA-N 2 2 377.758 2.813 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000865494550 662424868 /nfs/dbraw/zinc/42/48/68/662424868.db2.gz CXWPECBJCOFYHF-SJORKVTESA-N 2 2 398.345 2.710 20 0 GFADLP COC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598203 662483068 /nfs/dbraw/zinc/48/30/68/662483068.db2.gz UIAPOCQDXLFZFA-QZTJIDSGSA-N 2 2 383.330 2.980 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324882 662893916 /nfs/dbraw/zinc/89/39/16/662893916.db2.gz PMJHKYMZDBSTFR-ZMYBRWDISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324882 662893918 /nfs/dbraw/zinc/89/39/18/662893918.db2.gz PMJHKYMZDBSTFR-ZMYBRWDISA-N 2 2 386.367 2.985 20 0 GFADLP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528256 662898118 /nfs/dbraw/zinc/89/81/18/662898118.db2.gz MCBOXERZBPQYIV-CQSZACIVSA-N 2 2 395.301 2.883 20 0 GFADLP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000893940895 663432551 /nfs/dbraw/zinc/43/25/51/663432551.db2.gz SOUZWZVUASNHON-UHFFFAOYSA-N 2 2 390.313 2.579 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3c(Br)cccc3C2)cnn1C ZINC000903888703 663810039 /nfs/dbraw/zinc/81/00/39/663810039.db2.gz JJFNBMUNKVHJIH-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3c(Br)cccc3C2)cnn1C ZINC000903888703 663810040 /nfs/dbraw/zinc/81/00/40/663810040.db2.gz JJFNBMUNKVHJIH-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP O[C@@H](COc1ccc(Cl)cc1Br)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381810 664629342 /nfs/dbraw/zinc/62/93/42/664629342.db2.gz PNBYWYSRZAMAFI-CYBMUJFWSA-N 2 2 389.721 2.670 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3COC[C@@H]3O2)o1 ZINC000930447457 664770640 /nfs/dbraw/zinc/77/06/40/664770640.db2.gz YOJGITSLTHOPEU-BPUTZDHNSA-N 2 2 396.285 2.545 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3COC[C@@H]3O2)o1 ZINC000930447457 664770642 /nfs/dbraw/zinc/77/06/42/664770642.db2.gz YOJGITSLTHOPEU-BPUTZDHNSA-N 2 2 396.285 2.545 20 0 GFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(NC(C)C)c(C)c[nH+]3)CC2)CC1 ZINC001164614502 719020828 /nfs/dbraw/zinc/02/08/28/719020828.db2.gz FSWJKUXUVPXFPU-UHFFFAOYSA-N 2 2 389.544 2.849 20 0 GFADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164686774 719720624 /nfs/dbraw/zinc/72/06/24/719720624.db2.gz RXFFRCYZQIBZBC-UHFFFAOYSA-N 2 2 382.508 2.733 20 0 GFADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001164686774 719720632 /nfs/dbraw/zinc/72/06/32/719720632.db2.gz RXFFRCYZQIBZBC-UHFFFAOYSA-N 2 2 382.508 2.733 20 0 GFADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)[nH+]2)CC1 ZINC001164794609 721506328 /nfs/dbraw/zinc/50/63/28/721506328.db2.gz ATLDECQLKWLFBH-XXBNENTESA-N 2 2 393.535 2.914 20 0 GFADLP COc1ccc2c[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)cc2c1 ZINC001165009987 721742047 /nfs/dbraw/zinc/74/20/47/721742047.db2.gz KNETUCCCOGLBDA-UHFFFAOYSA-N 2 2 382.508 2.766 20 0 GFADLP CCCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)[nH+]1 ZINC001164983342 722129819 /nfs/dbraw/zinc/12/98/19/722129819.db2.gz UKADRKMESVOGGE-TZIWHRDSSA-N 2 2 381.524 2.860 20 0 GFADLP CCCc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)[nH+]1 ZINC001164983342 722129820 /nfs/dbraw/zinc/12/98/20/722129820.db2.gz UKADRKMESVOGGE-TZIWHRDSSA-N 2 2 381.524 2.860 20 0 GFADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164994458 722203259 /nfs/dbraw/zinc/20/32/59/722203259.db2.gz HHFAKWRYCMQFEA-QFIPXVFZSA-N 2 2 397.498 2.697 20 0 GFADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164994458 722203263 /nfs/dbraw/zinc/20/32/63/722203263.db2.gz HHFAKWRYCMQFEA-QFIPXVFZSA-N 2 2 397.498 2.697 20 0 GFADLP C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129414536 551357351 /nfs/dbraw/zinc/35/73/51/551357351.db2.gz GQYFWUDASYEBQS-RCBQFDQVSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129414536 551357353 /nfs/dbraw/zinc/35/73/53/551357353.db2.gz GQYFWUDASYEBQS-RCBQFDQVSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168338420 551634967 /nfs/dbraw/zinc/63/49/67/551634967.db2.gz JDNGSHPIPBRQLY-CQSZACIVSA-N 2 2 398.345 2.867 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(F)cccc3Br)CC2)CC1 ZINC000176289418 552137499 /nfs/dbraw/zinc/13/74/99/552137499.db2.gz TYBYQCZWSUNSCL-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 ZINC000190096958 552487105 /nfs/dbraw/zinc/48/71/05/552487105.db2.gz PEUWMGVOXWAWNK-UHFFFAOYSA-N 2 2 381.933 2.547 20 0 GFADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773447 552973287 /nfs/dbraw/zinc/97/32/87/552973287.db2.gz JLXSMRZKZSEHDS-INIZCTEOSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773447 552973290 /nfs/dbraw/zinc/97/32/90/552973290.db2.gz JLXSMRZKZSEHDS-INIZCTEOSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Br)cc1 ZINC000261681556 553155966 /nfs/dbraw/zinc/15/59/66/553155966.db2.gz GWZBVHAVMJVVBV-KRWDZBQOSA-N 2 2 377.286 2.752 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261681556 553155967 /nfs/dbraw/zinc/15/59/67/553155967.db2.gz GWZBVHAVMJVVBV-KRWDZBQOSA-N 2 2 377.286 2.752 20 0 GFADLP FC(F)(F)c1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086925 553165887 /nfs/dbraw/zinc/16/58/87/553165887.db2.gz GGTOMOXQZMSENK-OAHLLOKOSA-N 2 2 392.263 2.947 20 0 GFADLP FC(F)(F)c1cc(Br)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262086925 553165889 /nfs/dbraw/zinc/16/58/89/553165889.db2.gz GGTOMOXQZMSENK-OAHLLOKOSA-N 2 2 392.263 2.947 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673963 564338012 /nfs/dbraw/zinc/33/80/12/564338012.db2.gz JTEVDXYEKJYHNH-BFQNTYOBSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@H](C)O1 ZINC000566673963 564338018 /nfs/dbraw/zinc/33/80/18/564338018.db2.gz JTEVDXYEKJYHNH-BFQNTYOBSA-N 2 2 391.737 2.662 20 0 GFADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O[C@H](C)C(=O)NC)CC1 ZINC000294823237 563218598 /nfs/dbraw/zinc/21/85/98/563218598.db2.gz ROCPVGGOHKVJIX-CYBMUJFWSA-N 2 2 398.345 2.536 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418516511 563219635 /nfs/dbraw/zinc/21/96/35/563219635.db2.gz XKGZYCUXPAJMJC-QGZVFWFLSA-N 2 2 397.361 2.966 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369727800 563223601 /nfs/dbraw/zinc/22/36/01/563223601.db2.gz REPWGAOUTAERQE-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369727800 563223603 /nfs/dbraw/zinc/22/36/03/563223603.db2.gz REPWGAOUTAERQE-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114309 563233884 /nfs/dbraw/zinc/23/38/84/563233884.db2.gz URRSQRGUVKLGNQ-QGZVFWFLSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114309 563233888 /nfs/dbraw/zinc/23/38/88/563233888.db2.gz URRSQRGUVKLGNQ-QGZVFWFLSA-N 2 2 394.357 2.666 20 0 GFADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(Br)c1O ZINC000278046434 563238115 /nfs/dbraw/zinc/23/81/15/563238115.db2.gz XUSXYESGYGUHAD-ZDUSSCGKSA-N 2 2 387.318 2.754 20 0 GFADLP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(Br)c1O ZINC000278046434 563238118 /nfs/dbraw/zinc/23/81/18/563238118.db2.gz XUSXYESGYGUHAD-ZDUSSCGKSA-N 2 2 387.318 2.754 20 0 GFADLP Cc1c(Br)cccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420356077 563263223 /nfs/dbraw/zinc/26/32/23/563263223.db2.gz QHYJSZRKKPQAQM-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000371840142 563288608 /nfs/dbraw/zinc/28/86/08/563288608.db2.gz DTSDPAIBJFYSCG-UHFFFAOYSA-N 2 2 391.313 2.848 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038526 563319872 /nfs/dbraw/zinc/31/98/72/563319872.db2.gz IRPCJMUBFJLVSN-NXEZZACHSA-N 2 2 377.297 2.577 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093146 563354739 /nfs/dbraw/zinc/35/47/39/563354739.db2.gz GBRCAAQYMUMSAD-GWCFXTLKSA-N 2 2 394.684 2.801 20 0 GFADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423106031 563355650 /nfs/dbraw/zinc/35/56/50/563355650.db2.gz JFIAWEVNWLTBPQ-HFBAOOFYSA-N 2 2 375.257 2.974 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423377636 563360136 /nfs/dbraw/zinc/36/01/36/563360136.db2.gz VWLMGFQRTDQQJU-SMDDNHRTSA-N 2 2 384.265 2.534 20 0 GFADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484746 563361075 /nfs/dbraw/zinc/36/10/75/563361075.db2.gz AJLOUZWRUYMXRU-DYVFJYSZSA-N 2 2 377.330 2.801 20 0 GFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423508410 563361285 /nfs/dbraw/zinc/36/12/85/563361285.db2.gz QRKKCESQMXLJPE-GUYCJALGSA-N 2 2 378.314 2.851 20 0 GFADLP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2cc1Br ZINC000425219472 563412804 /nfs/dbraw/zinc/41/28/04/563412804.db2.gz AKIWCBWTZNVQQD-CYBMUJFWSA-N 2 2 392.297 2.703 20 0 GFADLP COc1cc2[nH+]ccc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2cc1Br ZINC000425219472 563412808 /nfs/dbraw/zinc/41/28/08/563412808.db2.gz AKIWCBWTZNVQQD-CYBMUJFWSA-N 2 2 392.297 2.703 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000377621123 563481146 /nfs/dbraw/zinc/48/11/46/563481146.db2.gz GMSOKARHBUPVOU-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000377621123 563481149 /nfs/dbraw/zinc/48/11/49/563481149.db2.gz GMSOKARHBUPVOU-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000377886908 563490250 /nfs/dbraw/zinc/49/02/50/563490250.db2.gz BHDHYAPOWSOVHU-CQSZACIVSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000377886908 563490253 /nfs/dbraw/zinc/49/02/53/563490253.db2.gz BHDHYAPOWSOVHU-CQSZACIVSA-N 2 2 378.270 2.959 20 0 GFADLP [NH3+]C1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCCC1 ZINC000332390778 563596835 /nfs/dbraw/zinc/59/68/35/563596835.db2.gz VLUDPEWKDBUYTJ-AWEZNQCLSA-N 2 2 387.343 2.919 20 0 GFADLP CO[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000433244585 563607225 /nfs/dbraw/zinc/60/72/25/563607225.db2.gz YWTBUMCNJQXINO-QZTJIDSGSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@@H]1CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000433244585 563607228 /nfs/dbraw/zinc/60/72/28/563607228.db2.gz YWTBUMCNJQXINO-QZTJIDSGSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@@H]1CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@@H](OC)C2)C1 ZINC000433244585 563607229 /nfs/dbraw/zinc/60/72/29/563607229.db2.gz YWTBUMCNJQXINO-QZTJIDSGSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@@H]1CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@@H](OC)C2)C1 ZINC000433244585 563607232 /nfs/dbraw/zinc/60/72/32/563607232.db2.gz YWTBUMCNJQXINO-QZTJIDSGSA-N 2 2 383.330 2.891 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1ncc(Br)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436319 563650964 /nfs/dbraw/zinc/65/09/64/563650964.db2.gz FGBKYYGJTVRXOD-LBPRGKRZSA-N 2 2 396.358 2.783 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439448902 563725223 /nfs/dbraw/zinc/72/52/23/563725223.db2.gz FUHAYLFBTWAVCN-OAHLLOKOSA-N 2 2 386.265 2.547 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000439448902 563725228 /nfs/dbraw/zinc/72/52/28/563725228.db2.gz FUHAYLFBTWAVCN-OAHLLOKOSA-N 2 2 386.265 2.547 20 0 GFADLP COc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc(Br)c1OC ZINC000414324560 563726303 /nfs/dbraw/zinc/72/63/03/563726303.db2.gz IUHSQZYQRYXUPI-UHFFFAOYSA-N 2 2 383.290 2.556 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363783256 563733319 /nfs/dbraw/zinc/73/33/19/563733319.db2.gz JUQKDWNQSIPUGS-RDJZCZTQSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363783256 563733321 /nfs/dbraw/zinc/73/33/21/563733321.db2.gz JUQKDWNQSIPUGS-RDJZCZTQSA-N 2 2 392.345 2.931 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205255 563746177 /nfs/dbraw/zinc/74/61/77/563746177.db2.gz GMVQQNJJIZUXCK-QGZVFWFLSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3cccc(Cl)c3)C2)CC1 ZINC000364205255 563746180 /nfs/dbraw/zinc/74/61/80/563746180.db2.gz GMVQQNJJIZUXCK-QGZVFWFLSA-N 2 2 381.973 2.858 20 0 GFADLP Brc1cc2c(cc1C[NH2+]CCC[NH2+]Cc1cccnc1)OCO2 ZINC000414870753 563753698 /nfs/dbraw/zinc/75/36/98/563753698.db2.gz CSOOBKKLLLNIQS-UHFFFAOYSA-N 2 2 378.270 2.842 20 0 GFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414813143 563753740 /nfs/dbraw/zinc/75/37/40/563753740.db2.gz MAPSLBAYVWLEDN-LBPRGKRZSA-N 2 2 392.281 2.916 20 0 GFADLP COC[C@]1(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CCC[NH2+]1 ZINC000414949144 563755278 /nfs/dbraw/zinc/75/52/78/563755278.db2.gz YWZIQFCDCUDIEZ-GOSISDBHSA-N 2 2 393.329 2.801 20 0 GFADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415007096 563756846 /nfs/dbraw/zinc/75/68/46/563756846.db2.gz UMEBKBPXONYRHW-SNVBAGLBSA-N 2 2 376.238 2.909 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1OC(F)F ZINC000415050424 563758057 /nfs/dbraw/zinc/75/80/57/563758057.db2.gz YQWWERMODKKKIE-ZDUSSCGKSA-N 2 2 379.245 2.827 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146150 563761286 /nfs/dbraw/zinc/76/12/86/563761286.db2.gz YJICJYWXUODLLN-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146150 563761287 /nfs/dbraw/zinc/76/12/87/563761287.db2.gz YJICJYWXUODLLN-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204652 563778802 /nfs/dbraw/zinc/77/88/02/563778802.db2.gz SODOAARSYNPXKY-KDOFPFPSSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204652 563778807 /nfs/dbraw/zinc/77/88/07/563778807.db2.gz SODOAARSYNPXKY-KDOFPFPSSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204652 563778812 /nfs/dbraw/zinc/77/88/12/563778812.db2.gz SODOAARSYNPXKY-KDOFPFPSSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204652 563778817 /nfs/dbraw/zinc/77/88/17/563778817.db2.gz SODOAARSYNPXKY-KDOFPFPSSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232172 563779336 /nfs/dbraw/zinc/77/93/36/563779336.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232172 563779338 /nfs/dbraw/zinc/77/93/38/563779338.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232172 563779339 /nfs/dbraw/zinc/77/93/39/563779339.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292232172 563779343 /nfs/dbraw/zinc/77/93/43/563779343.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442795155 563780414 /nfs/dbraw/zinc/78/04/14/563780414.db2.gz UTGQJVCPLPDWSU-PBWFPOADSA-N 2 2 386.359 2.684 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442795155 563780416 /nfs/dbraw/zinc/78/04/16/563780416.db2.gz UTGQJVCPLPDWSU-PBWFPOADSA-N 2 2 386.359 2.684 20 0 GFADLP O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444704370 563835671 /nfs/dbraw/zinc/83/56/71/563835671.db2.gz KZKMLOUXMIACDQ-CQSZACIVSA-N 2 2 375.460 2.667 20 0 GFADLP O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444704370 563835675 /nfs/dbraw/zinc/83/56/75/563835675.db2.gz KZKMLOUXMIACDQ-CQSZACIVSA-N 2 2 375.460 2.667 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102567 563863895 /nfs/dbraw/zinc/86/38/95/563863895.db2.gz OUBOBVOVOQOWGP-OCCSQVGLSA-N 2 2 382.917 2.569 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102567 563863897 /nfs/dbraw/zinc/86/38/97/563863897.db2.gz OUBOBVOVOQOWGP-OCCSQVGLSA-N 2 2 382.917 2.569 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084624 563874368 /nfs/dbraw/zinc/87/43/68/563874368.db2.gz FCRYIGLUOUATCL-DOMZBBRYSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084624 563874370 /nfs/dbraw/zinc/87/43/70/563874370.db2.gz FCRYIGLUOUATCL-DOMZBBRYSA-N 2 2 378.460 2.929 20 0 GFADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(F)cc1I ZINC000417976078 563893554 /nfs/dbraw/zinc/89/35/54/563893554.db2.gz WVIGVKMRAJMPFB-LBPRGKRZSA-N 2 2 392.256 2.631 20 0 GFADLP CCCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000418017880 563895622 /nfs/dbraw/zinc/89/56/22/563895622.db2.gz HUZUNIUFSFMQDL-HNNXBMFYSA-N 2 2 394.317 2.689 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449598985 564191025 /nfs/dbraw/zinc/19/10/25/564191025.db2.gz JSXGNGAAAXBMMQ-YEWWUXTCSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449598985 564191026 /nfs/dbraw/zinc/19/10/26/564191026.db2.gz JSXGNGAAAXBMMQ-YEWWUXTCSA-N 2 2 397.357 2.681 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000471692074 564202406 /nfs/dbraw/zinc/20/24/06/564202406.db2.gz GJHBUZDSXSNXLL-UHFFFAOYSA-N 2 2 391.313 2.598 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713480 564203308 /nfs/dbraw/zinc/20/33/08/564203308.db2.gz MUFDIGQOWFWQGP-BBRMVZONSA-N 2 2 382.892 2.612 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)c2csc(CC[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563713480 564203313 /nfs/dbraw/zinc/20/33/13/564203313.db2.gz MUFDIGQOWFWQGP-BBRMVZONSA-N 2 2 382.892 2.612 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000474456759 564279405 /nfs/dbraw/zinc/27/94/05/564279405.db2.gz FZRJMNVOUMFXHY-UHFFFAOYSA-N 2 2 377.176 2.946 20 0 GFADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nc(C)cs1 ZINC000542555811 564318588 /nfs/dbraw/zinc/31/85/88/564318588.db2.gz GJCNJLWLCGMZNF-MRXNPFEDSA-N 2 2 378.567 2.898 20 0 GFADLP CC1(C)CC[NH+](CCCCC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@@]1=O ZINC000451751237 564348088 /nfs/dbraw/zinc/34/80/88/564348088.db2.gz ATUTXTGTHNGKHE-PLQXJYEYSA-N 2 2 390.659 2.623 20 0 GFADLP CC1(C)CC[NH+](CCCCC[N@H+]2CC[S@@](=O)C(C)(C)CC2)CC[S@@]1=O ZINC000451751237 564348090 /nfs/dbraw/zinc/34/80/90/564348090.db2.gz ATUTXTGTHNGKHE-PLQXJYEYSA-N 2 2 390.659 2.623 20 0 GFADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000567611153 564379824 /nfs/dbraw/zinc/37/98/24/564379824.db2.gz LUPVPMZPFYBMLY-ZBFHGGJFSA-N 2 2 391.313 2.672 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH+](C[C@@H]4CCOC4)CC3)c[nH+]c12 ZINC000544349936 564383288 /nfs/dbraw/zinc/38/32/88/564383288.db2.gz SXEVICSMMDLJHK-HNNXBMFYSA-N 2 2 393.329 2.559 20 0 GFADLP Cc1cc(Br)cn2c(CN(CC[NH+](C)C)C[C@@H]3CCCO3)c[nH+]c12 ZINC000568328460 564414097 /nfs/dbraw/zinc/41/40/97/564414097.db2.gz WHCOHHHCZOVWHI-KRWDZBQOSA-N 2 2 395.345 2.948 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C(N)=O)cc3)[nH+]c12 ZINC000545353154 564418545 /nfs/dbraw/zinc/41/85/45/564418545.db2.gz PMXVQPIMAFPJFF-UHFFFAOYSA-N 2 2 387.281 2.836 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081846 564425025 /nfs/dbraw/zinc/42/50/25/564425025.db2.gz ROJPUDNEEIKTHK-SJORKVTESA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081846 564425030 /nfs/dbraw/zinc/42/50/30/564425030.db2.gz ROJPUDNEEIKTHK-SJORKVTESA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080108 564425062 /nfs/dbraw/zinc/42/50/62/564425062.db2.gz NOUJCEJDDPVROB-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479080108 564425066 /nfs/dbraw/zinc/42/50/66/564425066.db2.gz NOUJCEJDDPVROB-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP O=S(=O)(CC[NH2+]CCCNc1cccc[nH+]1)c1cccc(Br)c1 ZINC000568857654 564437949 /nfs/dbraw/zinc/43/79/49/564437949.db2.gz KVPHKIGSNUJQFX-UHFFFAOYSA-N 2 2 398.326 2.710 20 0 GFADLP [NH3+]CC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000568998873 564444421 /nfs/dbraw/zinc/44/44/21/564444421.db2.gz ITBBIWOCIFKDNF-QGZVFWFLSA-N 2 2 380.330 2.783 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000453586372 564459681 /nfs/dbraw/zinc/45/96/81/564459681.db2.gz JMCTZMSGEMCHAW-CQSZACIVSA-N 2 2 388.375 2.851 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000453586372 564459683 /nfs/dbraw/zinc/45/96/83/564459683.db2.gz JMCTZMSGEMCHAW-CQSZACIVSA-N 2 2 388.375 2.851 20 0 GFADLP CSC1(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000569513907 564466889 /nfs/dbraw/zinc/46/68/89/564466889.db2.gz QDCRZVHSYGNUIY-UHFFFAOYSA-N 2 2 376.975 2.661 20 0 GFADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480334852 564468876 /nfs/dbraw/zinc/46/88/76/564468876.db2.gz NJQQYOXFRDNUOI-OAHLLOKOSA-N 2 2 389.359 2.989 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031625 564532585 /nfs/dbraw/zinc/53/25/85/564532585.db2.gz IQWSWIRKCBZYBS-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031625 564532589 /nfs/dbraw/zinc/53/25/89/564532589.db2.gz IQWSWIRKCBZYBS-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000517595225 564537448 /nfs/dbraw/zinc/53/74/48/564537448.db2.gz PTUOMHVVQLEWKD-ZDUSSCGKSA-N 2 2 377.286 2.919 20 0 GFADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000517595225 564537452 /nfs/dbraw/zinc/53/74/52/564537452.db2.gz PTUOMHVVQLEWKD-ZDUSSCGKSA-N 2 2 377.286 2.919 20 0 GFADLP Brc1c[nH+]ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000548480291 564553856 /nfs/dbraw/zinc/55/38/56/564553856.db2.gz DDPNYVUTWGYSGO-UHFFFAOYSA-N 2 2 392.297 2.589 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858731 564575969 /nfs/dbraw/zinc/57/59/69/564575969.db2.gz CHVWNWSZKSCYPZ-LBPRGKRZSA-N 2 2 384.322 2.858 20 0 GFADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858731 564575971 /nfs/dbraw/zinc/57/59/71/564575971.db2.gz CHVWNWSZKSCYPZ-LBPRGKRZSA-N 2 2 384.322 2.858 20 0 GFADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000572459893 564595076 /nfs/dbraw/zinc/59/50/76/564595076.db2.gz WILDPJWZMULLPH-HNNXBMFYSA-N 2 2 394.317 2.641 20 0 GFADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000572459893 564595079 /nfs/dbraw/zinc/59/50/79/564595079.db2.gz WILDPJWZMULLPH-HNNXBMFYSA-N 2 2 394.317 2.641 20 0 GFADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(F)cc(F)cc1Br ZINC000574083782 564668118 /nfs/dbraw/zinc/66/81/18/564668118.db2.gz HQMMHNSOHHEVJL-PHIMTYICSA-N 2 2 388.256 2.597 20 0 GFADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(F)cc(F)cc1Br ZINC000574083782 564668122 /nfs/dbraw/zinc/66/81/22/564668122.db2.gz HQMMHNSOHHEVJL-PHIMTYICSA-N 2 2 388.256 2.597 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NC(C)(C)C[NH+](C)C)[nH+]c12 ZINC000458658277 564710916 /nfs/dbraw/zinc/71/09/16/564710916.db2.gz KQYPONYSUKSYLN-UHFFFAOYSA-N 2 2 396.333 2.587 20 0 GFADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527672638 564753944 /nfs/dbraw/zinc/75/39/44/564753944.db2.gz BSBUQFGJMUGKHP-SJORKVTESA-N 2 2 386.309 2.841 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631964 564836505 /nfs/dbraw/zinc/83/65/05/564836505.db2.gz KLDFUNOTZHKZNR-CXAGYDPISA-N 2 2 380.330 2.641 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631964 564836508 /nfs/dbraw/zinc/83/65/08/564836508.db2.gz KLDFUNOTZHKZNR-CXAGYDPISA-N 2 2 380.330 2.641 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000495254891 564852480 /nfs/dbraw/zinc/85/24/80/564852480.db2.gz PTKHWRFCYBGSIK-QGZVFWFLSA-N 2 2 398.320 2.793 20 0 GFADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264515 564863383 /nfs/dbraw/zinc/86/33/83/564863383.db2.gz GYYVYLSMMIMPTO-FDQGKXFDSA-N 2 2 385.936 2.778 20 0 GFADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264515 564863385 /nfs/dbraw/zinc/86/33/85/564863385.db2.gz GYYVYLSMMIMPTO-FDQGKXFDSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264515 564863390 /nfs/dbraw/zinc/86/33/90/564863390.db2.gz GYYVYLSMMIMPTO-FDQGKXFDSA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCSC1 ZINC000497264515 564863394 /nfs/dbraw/zinc/86/33/94/564863394.db2.gz GYYVYLSMMIMPTO-FDQGKXFDSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067435 565029084 /nfs/dbraw/zinc/02/90/84/565029084.db2.gz QGMGZRJFBUXSPY-STQMWFEESA-N 2 2 377.286 2.999 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067435 565029085 /nfs/dbraw/zinc/02/90/85/565029085.db2.gz QGMGZRJFBUXSPY-STQMWFEESA-N 2 2 377.286 2.999 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562985944 565050826 /nfs/dbraw/zinc/05/08/26/565050826.db2.gz KPYKXONFDUFFMC-FMKPAKJESA-N 2 2 391.339 2.822 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)C1 ZINC000657595765 565111703 /nfs/dbraw/zinc/11/17/03/565111703.db2.gz JWQZCUKVFSHBJF-CQSZACIVSA-N 2 2 382.327 2.762 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)s3)cc2)C1 ZINC000657595765 565111706 /nfs/dbraw/zinc/11/17/06/565111706.db2.gz JWQZCUKVFSHBJF-CQSZACIVSA-N 2 2 382.327 2.762 20 0 GFADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801245 565131485 /nfs/dbraw/zinc/13/14/85/565131485.db2.gz PTFQDSLVGFDTMP-LJQANCHMSA-N 2 2 389.341 2.750 20 0 GFADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801245 565131490 /nfs/dbraw/zinc/13/14/90/565131490.db2.gz PTFQDSLVGFDTMP-LJQANCHMSA-N 2 2 389.341 2.750 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(I)c1)CCO2 ZINC000592527074 565280996 /nfs/dbraw/zinc/28/09/96/565280996.db2.gz KLSMXROLIFXTDL-UHFFFAOYSA-N 2 2 386.277 2.588 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(I)c1)CCO2 ZINC000592527074 565280998 /nfs/dbraw/zinc/28/09/98/565280998.db2.gz KLSMXROLIFXTDL-UHFFFAOYSA-N 2 2 386.277 2.588 20 0 GFADLP Brc1ccc2[nH+]c(Cn3cc(CC[NH+]4CCCCC4)nn3)cn2c1 ZINC000640958932 565338419 /nfs/dbraw/zinc/33/84/19/565338419.db2.gz QUFYERUNPMLXKQ-UHFFFAOYSA-N 2 2 389.301 2.765 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262232 565357261 /nfs/dbraw/zinc/35/72/61/565357261.db2.gz UJCYJJHVMZHGLN-QZTJIDSGSA-N 2 2 382.346 2.506 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304411 565411366 /nfs/dbraw/zinc/41/13/66/565411366.db2.gz QGBNIWBMXUFWQS-HIFRSBDPSA-N 2 2 396.329 2.619 20 0 GFADLP C[C@@H](CCNc1nc[nH+]c(NCC[C@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246606 565456566 /nfs/dbraw/zinc/45/65/66/565456566.db2.gz VQPQSUIQVPFXKR-STQMWFEESA-N 3 2 387.370 2.743 20 0 GFADLP Cc1oc(Br)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644635733 565486776 /nfs/dbraw/zinc/48/67/76/565486776.db2.gz YOQNBPNINMNKOR-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1oc(Br)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644635733 565486778 /nfs/dbraw/zinc/48/67/78/565486778.db2.gz YOQNBPNINMNKOR-CQSZACIVSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ncc1Br ZINC000623379165 565507220 /nfs/dbraw/zinc/50/72/20/565507220.db2.gz AKXHGCOZQJNSEZ-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652010 565530788 /nfs/dbraw/zinc/53/07/88/565530788.db2.gz FDBHATKDNRALRZ-DOMZBBRYSA-N 2 2 398.292 2.795 20 0 GFADLP Cc1ccc(Br)cc1[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623894815 565533623 /nfs/dbraw/zinc/53/36/23/565533623.db2.gz BRVWHIXBBYIIOA-WMZOPIPTSA-N 2 2 396.373 2.815 20 0 GFADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086751 565542803 /nfs/dbraw/zinc/54/28/03/565542803.db2.gz URURHAUCOYMEHO-SJORKVTESA-N 2 2 382.346 2.700 20 0 GFADLP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086751 565542806 /nfs/dbraw/zinc/54/28/06/565542806.db2.gz URURHAUCOYMEHO-SJORKVTESA-N 2 2 382.346 2.700 20 0 GFADLP Cc1cc(F)c(Br)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666862805 565561424 /nfs/dbraw/zinc/56/14/24/565561424.db2.gz NXZOCVQRHZOBCG-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1cc(F)c(Br)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666862805 565561428 /nfs/dbraw/zinc/56/14/28/565561428.db2.gz NXZOCVQRHZOBCG-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340216 565597494 /nfs/dbraw/zinc/59/74/94/565597494.db2.gz DASXGEAZDLHHDG-OLMNPRSZSA-N 2 2 392.341 2.796 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000668244662 565634904 /nfs/dbraw/zinc/63/49/04/565634904.db2.gz HJNJOBGNKYHETO-UHFFFAOYSA-N 2 2 399.352 2.975 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000668244662 565634910 /nfs/dbraw/zinc/63/49/10/565634910.db2.gz HJNJOBGNKYHETO-UHFFFAOYSA-N 2 2 399.352 2.975 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC000650714596 565832793 /nfs/dbraw/zinc/83/27/93/565832793.db2.gz QXFWVRNCVIZAOL-BXUZGUMPSA-N 2 2 379.245 2.846 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C[C@H]1C[NH3+] ZINC000650714596 565832799 /nfs/dbraw/zinc/83/27/99/565832799.db2.gz QXFWVRNCVIZAOL-BXUZGUMPSA-N 2 2 379.245 2.846 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157038 565924173 /nfs/dbraw/zinc/92/41/73/565924173.db2.gz PZIASNCVPIYQNE-HNNXBMFYSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157038 565924177 /nfs/dbraw/zinc/92/41/77/565924177.db2.gz PZIASNCVPIYQNE-HNNXBMFYSA-N 2 2 385.339 2.961 20 0 GFADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(F)cc1Br ZINC000631049483 565935215 /nfs/dbraw/zinc/93/52/15/565935215.db2.gz HVSQFGQSIXDKPR-UHFFFAOYSA-N 2 2 375.282 2.533 20 0 GFADLP Brc1cnccc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000631056932 565936927 /nfs/dbraw/zinc/93/69/27/565936927.db2.gz PHAAMWWYZUZAGK-UHFFFAOYSA-N 3 2 390.329 2.541 20 0 GFADLP C[C@H](c1ccccc1Br)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083288 565998820 /nfs/dbraw/zinc/99/88/20/565998820.db2.gz ZHVUYAFQCJIYHG-CXAGYDPISA-N 2 2 380.330 2.924 20 0 GFADLP C[C@H](c1ccccc1Br)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083288 565998826 /nfs/dbraw/zinc/99/88/26/565998826.db2.gz ZHVUYAFQCJIYHG-CXAGYDPISA-N 2 2 380.330 2.924 20 0 GFADLP COc1ccc(Br)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000678258928 566004182 /nfs/dbraw/zinc/00/41/82/566004182.db2.gz RZWSYVTUGNLUFR-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP COc1ccc(Br)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000678258928 566004186 /nfs/dbraw/zinc/00/41/86/566004186.db2.gz RZWSYVTUGNLUFR-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000682538208 566161550 /nfs/dbraw/zinc/16/15/50/566161550.db2.gz NRKMEOPGWIFSPW-CYBMUJFWSA-N 2 2 377.286 2.908 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000657072034 566217777 /nfs/dbraw/zinc/21/77/77/566217777.db2.gz NCVXHASWERQMEH-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000657072034 566217782 /nfs/dbraw/zinc/21/77/82/566217782.db2.gz NCVXHASWERQMEH-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP c1cc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517965 607479071 /nfs/dbraw/zinc/47/90/71/607479071.db2.gz WWNPEDYTIXGFQU-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517965 607479073 /nfs/dbraw/zinc/47/90/73/607479073.db2.gz WWNPEDYTIXGFQU-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517965 607479074 /nfs/dbraw/zinc/47/90/74/607479074.db2.gz WWNPEDYTIXGFQU-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517965 607479076 /nfs/dbraw/zinc/47/90/76/607479076.db2.gz WWNPEDYTIXGFQU-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP Cc1cc(Br)cn2c(CNc3ccn(CC[NH+](C)C)n3)c[nH+]c12 ZINC000543241047 650904710 /nfs/dbraw/zinc/90/47/10/650904710.db2.gz YYJYIZMTNAPFGU-UHFFFAOYSA-N 2 2 377.290 2.775 20 0 GFADLP C[N@@H+]1CCC[C@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428541 /nfs/dbraw/zinc/42/85/41/655428541.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 2 391.313 2.533 20 0 GFADLP C[N@H+]1CCC[C@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428543 /nfs/dbraw/zinc/42/85/43/655428543.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428546 /nfs/dbraw/zinc/42/85/46/655428546.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428549 /nfs/dbraw/zinc/42/85/49/655428549.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 2 391.313 2.533 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166802 656163458 /nfs/dbraw/zinc/16/34/58/656163458.db2.gz UETOMYAMDVRFEK-MBNYWOFBSA-N 2 2 376.469 2.825 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166802 656163460 /nfs/dbraw/zinc/16/34/60/656163460.db2.gz UETOMYAMDVRFEK-MBNYWOFBSA-N 2 2 376.469 2.825 20 0 GFADLP C[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC([NH3+])CC1 ZINC000844221425 661409888 /nfs/dbraw/zinc/40/98/88/661409888.db2.gz ZRAJHHPDGHQJKF-UHFFFAOYSA-N 2 2 379.551 2.915 20 0 GFADLP C[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCC([NH3+])CC1 ZINC000844221425 661409894 /nfs/dbraw/zinc/40/98/94/661409894.db2.gz ZRAJHHPDGHQJKF-UHFFFAOYSA-N 2 2 379.551 2.915 20 0 GFADLP CN(C(=O)c1nc(Cl)sc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847486131 661594291 /nfs/dbraw/zinc/59/42/91/661594291.db2.gz XASZKWSSFZOFSH-NSHDSACASA-N 2 2 377.341 2.690 20 0 GFADLP CN(C(=O)c1nc(Cl)sc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847486131 661594294 /nfs/dbraw/zinc/59/42/94/661594294.db2.gz XASZKWSSFZOFSH-NSHDSACASA-N 2 2 377.341 2.690 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000849279584 661701802 /nfs/dbraw/zinc/70/18/02/661701802.db2.gz AITNGJLEBGCBKZ-UHFFFAOYSA-N 2 2 378.464 2.755 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)Nc1cccc(OC(F)(F)F)c1 ZINC000849279584 661701809 /nfs/dbraw/zinc/70/18/09/661701809.db2.gz AITNGJLEBGCBKZ-UHFFFAOYSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850492576 661779237 /nfs/dbraw/zinc/77/92/37/661779237.db2.gz FDOHPMQTGGPTPZ-BZQUYTCOSA-N 2 2 376.488 2.983 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)s1 ZINC000858244864 662105802 /nfs/dbraw/zinc/10/58/02/662105802.db2.gz JQFXCPMZDAWKGB-INIZCTEOSA-N 2 2 380.945 2.853 20 0 GFADLP C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324873 662893856 /nfs/dbraw/zinc/89/38/56/662893856.db2.gz PMJHKYMZDBSTFR-GDIGMMSISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324873 662893857 /nfs/dbraw/zinc/89/38/57/662893857.db2.gz PMJHKYMZDBSTFR-GDIGMMSISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324885 662893911 /nfs/dbraw/zinc/89/39/11/662893911.db2.gz PMJHKYMZDBSTFR-ZOCIIQOWSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324885 662893912 /nfs/dbraw/zinc/89/39/12/662893912.db2.gz PMJHKYMZDBSTFR-ZOCIIQOWSA-N 2 2 386.367 2.985 20 0 GFADLP O=S(=O)(CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000878744366 662904092 /nfs/dbraw/zinc/90/40/92/662904092.db2.gz JJPZZNPFDWCVKY-UHFFFAOYSA-N 2 2 379.913 2.721 20 0 GFADLP O=S(=O)(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000878744366 662904094 /nfs/dbraw/zinc/90/40/94/662904094.db2.gz JJPZZNPFDWCVKY-UHFFFAOYSA-N 2 2 379.913 2.721 20 0 GFADLP CCO/C=C\[C@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710865 663524583 /nfs/dbraw/zinc/52/45/83/663524583.db2.gz OBPDLPLHIIXDRZ-HKBVPSITSA-N 2 2 378.357 2.836 20 0 GFADLP COC(=O)CC[N@@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC(F)F ZINC000903913480 663811179 /nfs/dbraw/zinc/81/11/79/663811179.db2.gz CTMNGABVAHBSAN-CYBMUJFWSA-N 2 2 379.245 2.797 20 0 GFADLP COC(=O)CC[N@H+](Cc1cccc(Br)c1)C[C@H]([NH3+])CC(F)F ZINC000903913480 663811181 /nfs/dbraw/zinc/81/11/81/663811181.db2.gz CTMNGABVAHBSAN-CYBMUJFWSA-N 2 2 379.245 2.797 20 0 GFADLP Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)C)[nH+]1 ZINC001164819597 720294311 /nfs/dbraw/zinc/29/43/11/720294311.db2.gz DQTXVGXLUJHAPS-UXHICEINSA-N 2 2 385.556 2.820 20 0 GFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)cc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164825580 720358766 /nfs/dbraw/zinc/35/87/66/720358766.db2.gz RIMIAJSCSVKLKJ-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)cc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164825580 720358772 /nfs/dbraw/zinc/35/87/72/720358772.db2.gz RIMIAJSCSVKLKJ-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741165 720838332 /nfs/dbraw/zinc/83/83/32/720838332.db2.gz DMEZBIJFEBPWPF-SESVDKBCSA-N 2 2 395.555 2.708 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C)[nH+]1 ZINC001164741165 720838336 /nfs/dbraw/zinc/83/83/36/720838336.db2.gz DMEZBIJFEBPWPF-SESVDKBCSA-N 2 2 395.555 2.708 20 0 GFADLP CC(C)n1ccc2c1nc[nH+]c2N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011024 721743263 /nfs/dbraw/zinc/74/32/63/721743263.db2.gz SJLZLLOOFQCOSI-UHFFFAOYSA-N 2 2 384.528 2.535 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414800168 563752576 /nfs/dbraw/zinc/75/25/76/563752576.db2.gz RVWSGCAAWMWZAH-HNNXBMFYSA-N 2 2 387.318 2.772 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccncc2Br)([NH+]2CCCCC2)CC1 ZINC000157484905 551538451 /nfs/dbraw/zinc/53/84/51/551538451.db2.gz SQSBVZALWYIKPH-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1 ZINC000157610022 551540385 /nfs/dbraw/zinc/54/03/85/551540385.db2.gz CHBLZYGQLMALGK-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Br)c1 ZINC000157610022 551540387 /nfs/dbraw/zinc/54/03/87/551540387.db2.gz CHBLZYGQLMALGK-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158728706 551555392 /nfs/dbraw/zinc/55/53/92/551555392.db2.gz FZUAHYGXWUTSNK-WMZOPIPTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158728706 551555394 /nfs/dbraw/zinc/55/53/94/551555394.db2.gz FZUAHYGXWUTSNK-WMZOPIPTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158728706 551555396 /nfs/dbraw/zinc/55/53/96/551555396.db2.gz FZUAHYGXWUTSNK-WMZOPIPTSA-N 2 2 394.357 2.824 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158728706 551555399 /nfs/dbraw/zinc/55/53/99/551555399.db2.gz FZUAHYGXWUTSNK-WMZOPIPTSA-N 2 2 394.357 2.824 20 0 GFADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1F ZINC000162321372 551606697 /nfs/dbraw/zinc/60/66/97/551606697.db2.gz USFFZGQXMUSJDS-KRWDZBQOSA-N 2 2 394.288 2.966 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918564 551634581 /nfs/dbraw/zinc/63/45/81/551634581.db2.gz QVOTVZAIWIWDDL-GOSISDBHSA-N 2 2 383.989 2.857 20 0 GFADLP CCn1cc(Br)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171291597 551652105 /nfs/dbraw/zinc/65/21/05/551652105.db2.gz LYHFTCHJYKGBRB-UHFFFAOYSA-N 2 2 397.361 2.559 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654546 552090520 /nfs/dbraw/zinc/09/05/20/552090520.db2.gz VOFDTGRCKJWVLU-KGLIPLIRSA-N 2 2 398.345 2.661 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000177150131 552150801 /nfs/dbraw/zinc/15/08/01/552150801.db2.gz IZTCVNLGTXBGKA-UHFFFAOYSA-N 2 2 394.357 2.623 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038223 552243521 /nfs/dbraw/zinc/24/35/21/552243521.db2.gz HUXGXURINAIPDZ-DZGCQCFKSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000181170101 552249027 /nfs/dbraw/zinc/24/90/27/552249027.db2.gz YJSBKYWBLGGYFH-MRXNPFEDSA-N 2 2 386.367 2.874 20 0 GFADLP C[N@H+](Cc1cncc(Br)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277649 552441331 /nfs/dbraw/zinc/44/13/31/552441331.db2.gz PDICQAIPLFIBHV-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[N@@H+](Cc1cncc(Br)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277649 552441333 /nfs/dbraw/zinc/44/13/33/552441333.db2.gz PDICQAIPLFIBHV-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1cncc(Br)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277649 552441334 /nfs/dbraw/zinc/44/13/34/552441334.db2.gz PDICQAIPLFIBHV-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1cncc(Br)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188277649 552441336 /nfs/dbraw/zinc/44/13/36/552441336.db2.gz PDICQAIPLFIBHV-LJQANCHMSA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000192972274 552978967 /nfs/dbraw/zinc/97/89/67/552978967.db2.gz CPKBLJLIHAODKR-UHFFFAOYSA-N 2 2 379.302 2.695 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000261613758 553153874 /nfs/dbraw/zinc/15/38/74/553153874.db2.gz CKILZNSYJOSGPT-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000261843450 553160414 /nfs/dbraw/zinc/16/04/14/553160414.db2.gz VCUSZGSXGWJRCK-PXAZEXFGSA-N 2 2 377.286 2.752 20 0 GFADLP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(F)(F)F ZINC000510905470 564349890 /nfs/dbraw/zinc/34/98/90/564349890.db2.gz QDGZDKCPENOYPJ-LLVKDONJSA-N 2 2 382.180 2.664 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170197 563232335 /nfs/dbraw/zinc/23/23/35/563232335.db2.gz LJUJVTPIMXDCGQ-CABCVRRESA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170197 563232336 /nfs/dbraw/zinc/23/23/36/563232336.db2.gz LJUJVTPIMXDCGQ-CABCVRRESA-N 2 2 384.293 2.505 20 0 GFADLP CN(C(=O)c1cc(F)cc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370822365 563256518 /nfs/dbraw/zinc/25/65/18/563256518.db2.gz YVYYKBLYGNOCRE-QGZVFWFLSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(F)cc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370822365 563256520 /nfs/dbraw/zinc/25/65/20/563256520.db2.gz YVYYKBLYGNOCRE-QGZVFWFLSA-N 2 2 398.320 2.829 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300589 563271643 /nfs/dbraw/zinc/27/16/43/563271643.db2.gz QCWKYXNIWIRBFJ-KBMXLJTQSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300589 563271644 /nfs/dbraw/zinc/27/16/44/563271644.db2.gz QCWKYXNIWIRBFJ-KBMXLJTQSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294639 563271820 /nfs/dbraw/zinc/27/18/20/563271820.db2.gz MEKFIGUYDFSVQH-IKGGRYGDSA-N 2 2 396.329 2.571 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294639 563271822 /nfs/dbraw/zinc/27/18/22/563271822.db2.gz MEKFIGUYDFSVQH-IKGGRYGDSA-N 2 2 396.329 2.571 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000373567477 563342352 /nfs/dbraw/zinc/34/23/52/563342352.db2.gz IVHHRXQHWFYBFI-QGZVFWFLSA-N 2 2 396.373 2.850 20 0 GFADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000373567477 563342354 /nfs/dbraw/zinc/34/23/54/563342354.db2.gz IVHHRXQHWFYBFI-QGZVFWFLSA-N 2 2 396.373 2.850 20 0 GFADLP C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000422907475 563350915 /nfs/dbraw/zinc/35/09/15/563350915.db2.gz LHOLEKLGMHEAKB-YOEHRIQHSA-N 2 2 382.346 2.918 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422994023 563352527 /nfs/dbraw/zinc/35/25/27/563352527.db2.gz UOCVBPVLOSULLY-YOEHRIQHSA-N 2 2 382.346 2.906 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117694 563356003 /nfs/dbraw/zinc/35/60/03/563356003.db2.gz WTHHOQWCHVZGDI-PWSUYJOCSA-N 2 2 394.684 2.801 20 0 GFADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423174838 563358616 /nfs/dbraw/zinc/35/86/16/563358616.db2.gz CFDRPAIVAZNZKT-JTQLQIEISA-N 2 2 380.341 2.953 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219076 563358724 /nfs/dbraw/zinc/35/87/24/563358724.db2.gz VUOHBQFTMYWLOZ-GJZGRUSLSA-N 2 2 396.276 2.549 20 0 GFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423246780 563359469 /nfs/dbraw/zinc/35/94/69/563359469.db2.gz PZOGBLNUOOEONI-IAGOWNOFSA-N 2 2 381.929 2.989 20 0 GFADLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351818 563360679 /nfs/dbraw/zinc/36/06/79/563360679.db2.gz ZRJXXYWGHLRAOU-BMIGLBTASA-N 2 2 380.341 2.681 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000298872489 563369715 /nfs/dbraw/zinc/36/97/15/563369715.db2.gz YJQLELAJOYQQGE-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP COc1c(Br)ccc(C)c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000424698603 563388013 /nfs/dbraw/zinc/38/80/13/563388013.db2.gz FOGNZFSNOZNNEM-UHFFFAOYSA-N 2 2 398.345 2.522 20 0 GFADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301311875 563399939 /nfs/dbraw/zinc/39/99/39/563399939.db2.gz HPMCJDZZZJYNSV-UHFFFAOYSA-N 2 2 391.313 2.644 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(F)c(Br)c1 ZINC000375512389 563407972 /nfs/dbraw/zinc/40/79/72/563407972.db2.gz NFLACQOGXCYGMQ-NCAQKEMTSA-N 2 2 395.276 2.992 20 0 GFADLP COc1cc(Br)c(OCC[N@H+](C)[C@@H](C)C[NH3+])cc1Br ZINC000430966351 563550846 /nfs/dbraw/zinc/55/08/46/563550846.db2.gz OIOWCAMFSXGWPX-VIFPVBQESA-N 2 2 396.123 2.878 20 0 GFADLP COc1cc(Br)c(OCC[N@@H+](C)[C@@H](C)C[NH3+])cc1Br ZINC000430966351 563550848 /nfs/dbraw/zinc/55/08/48/563550848.db2.gz OIOWCAMFSXGWPX-VIFPVBQESA-N 2 2 396.123 2.878 20 0 GFADLP Cc1cc[nH+]c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Br ZINC000286421411 563559307 /nfs/dbraw/zinc/55/93/07/563559307.db2.gz PUHXSKKOZGZDQF-AGUYFDCRSA-N 2 2 381.318 2.648 20 0 GFADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432941142 563597351 /nfs/dbraw/zinc/59/73/51/563597351.db2.gz UHTKNFVWCPZQDB-KBPBESRZSA-N 2 2 385.350 2.504 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]cc1Br ZINC000333650180 563638126 /nfs/dbraw/zinc/63/81/26/563638126.db2.gz KGBYMRJVCYBBDH-JSGCOSHPSA-N 2 2 396.333 2.858 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]cc1Br ZINC000333650180 563638127 /nfs/dbraw/zinc/63/81/27/563638127.db2.gz KGBYMRJVCYBBDH-JSGCOSHPSA-N 2 2 396.333 2.858 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435368832 563649090 /nfs/dbraw/zinc/64/90/90/563649090.db2.gz CENVZLCGQYHZHB-BBRMVZONSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435368832 563649091 /nfs/dbraw/zinc/64/90/91/563649091.db2.gz CENVZLCGQYHZHB-BBRMVZONSA-N 2 2 399.329 2.869 20 0 GFADLP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000289382320 563673905 /nfs/dbraw/zinc/67/39/05/563673905.db2.gz CAQMDUGOHPXHFS-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289400660 563673908 /nfs/dbraw/zinc/67/39/08/563673908.db2.gz AHTYFJZMNJUTFE-IAGOWNOFSA-N 2 2 393.329 2.564 20 0 GFADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289400656 563673950 /nfs/dbraw/zinc/67/39/50/563673950.db2.gz AHTYFJZMNJUTFE-DLBZAZTESA-N 2 2 393.329 2.564 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140946 563760579 /nfs/dbraw/zinc/76/05/79/563760579.db2.gz OCFZWRAOTZHRBE-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140946 563760582 /nfs/dbraw/zinc/76/05/82/563760582.db2.gz OCFZWRAOTZHRBE-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060713 563772193 /nfs/dbraw/zinc/77/21/93/563772193.db2.gz COAHSDQCGUUISB-WMZOPIPTSA-N 2 2 378.314 2.582 20 0 GFADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060713 563772195 /nfs/dbraw/zinc/77/21/95/563772195.db2.gz COAHSDQCGUUISB-WMZOPIPTSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060713 563772197 /nfs/dbraw/zinc/77/21/97/563772197.db2.gz COAHSDQCGUUISB-WMZOPIPTSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060713 563772200 /nfs/dbraw/zinc/77/22/00/563772200.db2.gz COAHSDQCGUUISB-WMZOPIPTSA-N 2 2 378.314 2.582 20 0 GFADLP Cc1nn(C)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1Br ZINC000365949281 563796209 /nfs/dbraw/zinc/79/62/09/563796209.db2.gz ILPWAAXONASQNB-KBPBESRZSA-N 2 2 399.377 2.812 20 0 GFADLP CC[NH+](CC)CCSCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443562053 563808018 /nfs/dbraw/zinc/80/80/18/563808018.db2.gz VKIVUBICEPKEOZ-UHFFFAOYSA-N 2 2 383.989 2.889 20 0 GFADLP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443562053 563808020 /nfs/dbraw/zinc/80/80/20/563808020.db2.gz VKIVUBICEPKEOZ-UHFFFAOYSA-N 2 2 383.989 2.889 20 0 GFADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000445888384 563855518 /nfs/dbraw/zinc/85/55/18/563855518.db2.gz UTTRVHZWQZEQFZ-HNNXBMFYSA-N 2 2 377.476 2.959 20 0 GFADLP Brc1cnn(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000367889355 563858346 /nfs/dbraw/zinc/85/83/46/563858346.db2.gz ZJGIHCGETDAISC-UHFFFAOYSA-N 2 2 378.318 2.685 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000418016973 563895398 /nfs/dbraw/zinc/89/53/98/563895398.db2.gz GJZJBDOQFUKREI-GXTWGEPZSA-N 2 2 394.317 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])[nH+]c12 ZINC000418021987 563895438 /nfs/dbraw/zinc/89/54/38/563895438.db2.gz QKHPPLPNMPFHFS-SWLSCSKDSA-N 2 2 394.317 2.722 20 0 GFADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418021970 563895726 /nfs/dbraw/zinc/89/57/26/563895726.db2.gz KLAAADOMSXQTOV-HNNXBMFYSA-N 2 2 394.317 2.689 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110388 563907052 /nfs/dbraw/zinc/90/70/52/563907052.db2.gz CPTRZLNTFHGFJW-MRXNPFEDSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110388 563907054 /nfs/dbraw/zinc/90/70/54/563907054.db2.gz CPTRZLNTFHGFJW-MRXNPFEDSA-N 2 2 386.309 2.621 20 0 GFADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384505 564183456 /nfs/dbraw/zinc/18/34/56/564183456.db2.gz BMAKKBDRRWKBBB-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384505 564183459 /nfs/dbraw/zinc/18/34/59/564183459.db2.gz BMAKKBDRRWKBBB-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP C[N@@H+]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713487 564202906 /nfs/dbraw/zinc/20/29/06/564202906.db2.gz MUFDIGQOWFWQGP-CZUORRHYSA-N 2 2 382.892 2.612 20 0 GFADLP C[N@H+]1CC[C@@H](NC(=O)c2csc(CC[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563713487 564202909 /nfs/dbraw/zinc/20/29/09/564202909.db2.gz MUFDIGQOWFWQGP-CZUORRHYSA-N 2 2 382.892 2.612 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085514 564208975 /nfs/dbraw/zinc/20/89/75/564208975.db2.gz XJXLOFZYFNZTHH-CXAGYDPISA-N 2 2 386.323 2.577 20 0 GFADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000539301752 564215643 /nfs/dbraw/zinc/21/56/43/564215643.db2.gz YGILJNTZVOLZAX-UHFFFAOYSA-N 2 2 385.599 2.743 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164232 564268321 /nfs/dbraw/zinc/26/83/21/564268321.db2.gz MJOASMUNQBGMLF-SFHVURJKSA-N 2 2 385.346 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000565164232 564268324 /nfs/dbraw/zinc/26/83/24/564268324.db2.gz MJOASMUNQBGMLF-SFHVURJKSA-N 2 2 385.346 2.568 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656939 564342098 /nfs/dbraw/zinc/34/20/98/564342098.db2.gz NQIIJHBIAWKJFF-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000510656939 564342102 /nfs/dbraw/zinc/34/21/02/564342102.db2.gz NQIIJHBIAWKJFF-ZWKOTPCHSA-N 2 2 394.357 2.969 20 0 GFADLP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(F)(F)F ZINC000510905470 564349886 /nfs/dbraw/zinc/34/98/86/564349886.db2.gz QDGZDKCPENOYPJ-LLVKDONJSA-N 2 2 382.180 2.664 20 0 GFADLP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(F)(F)F ZINC000510905471 564349657 /nfs/dbraw/zinc/34/96/57/564349657.db2.gz QDGZDKCPENOYPJ-NSHDSACASA-N 2 2 382.180 2.664 20 0 GFADLP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)C(F)(F)F ZINC000510905471 564349659 /nfs/dbraw/zinc/34/96/59/564349659.db2.gz QDGZDKCPENOYPJ-NSHDSACASA-N 2 2 382.180 2.664 20 0 GFADLP Fc1ccc(Br)cc1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000478219602 564397827 /nfs/dbraw/zinc/39/78/27/564397827.db2.gz IMLXXSDFRZJRMJ-UHFFFAOYSA-N 2 2 381.293 2.993 20 0 GFADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@@H]21 ZINC000452973134 564440610 /nfs/dbraw/zinc/44/06/10/564440610.db2.gz JPGPTNZBKWGKIS-NJAFHUGGSA-N 2 2 392.341 2.749 20 0 GFADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccc(Br)cc3)[NH+]3CCCC3)C[C@@H]21 ZINC000452973134 564440613 /nfs/dbraw/zinc/44/06/13/564440613.db2.gz JPGPTNZBKWGKIS-NJAFHUGGSA-N 2 2 392.341 2.749 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111547 564447082 /nfs/dbraw/zinc/44/70/82/564447082.db2.gz OVRZNFOWRWAQIC-QZTJIDSGSA-N 2 2 394.357 2.700 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453111547 564447088 /nfs/dbraw/zinc/44/70/88/564447088.db2.gz OVRZNFOWRWAQIC-QZTJIDSGSA-N 2 2 394.357 2.700 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000514798124 564457914 /nfs/dbraw/zinc/45/79/14/564457914.db2.gz INOTVACTQREVJB-UHFFFAOYSA-N 2 2 393.329 2.776 20 0 GFADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)s1 ZINC000453594257 564459345 /nfs/dbraw/zinc/45/93/45/564459345.db2.gz KQIICOVKBUAQJD-IAQYHMDHSA-N 2 2 383.315 2.662 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1Br ZINC000569344280 564460205 /nfs/dbraw/zinc/46/02/05/564460205.db2.gz CNPWCTPFFCCERE-CYBMUJFWSA-N 2 2 377.286 2.908 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619426 564484067 /nfs/dbraw/zinc/48/40/67/564484067.db2.gz ILIHMZONBBFFGT-IRXDYDNUSA-N 2 2 378.929 2.775 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619426 564484071 /nfs/dbraw/zinc/48/40/71/564484071.db2.gz ILIHMZONBBFFGT-IRXDYDNUSA-N 2 2 378.929 2.775 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083076 564493402 /nfs/dbraw/zinc/49/34/02/564493402.db2.gz LKFUGCXTQBNFQX-DZGCQCFKSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083076 564493407 /nfs/dbraw/zinc/49/34/07/564493407.db2.gz LKFUGCXTQBNFQX-DZGCQCFKSA-N 2 2 391.313 2.849 20 0 GFADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647989 564507974 /nfs/dbraw/zinc/50/79/74/564507974.db2.gz HBYPZRLHDNHKBQ-DOTOQJQBSA-N 2 2 378.929 2.967 20 0 GFADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647989 564507978 /nfs/dbraw/zinc/50/79/78/564507978.db2.gz HBYPZRLHDNHKBQ-DOTOQJQBSA-N 2 2 378.929 2.967 20 0 GFADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3Br)C2)cc(OC)c1 ZINC000547835564 564513420 /nfs/dbraw/zinc/51/34/20/564513420.db2.gz SHZYDCPXOWKZAR-CQSZACIVSA-N 2 2 392.297 2.970 20 0 GFADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3Br)C2)cc(OC)c1 ZINC000547835564 564513422 /nfs/dbraw/zinc/51/34/22/564513422.db2.gz SHZYDCPXOWKZAR-CQSZACIVSA-N 2 2 392.297 2.970 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000517027461 564521946 /nfs/dbraw/zinc/52/19/46/564521946.db2.gz QJPJYFJLQVGJFG-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000517027461 564521950 /nfs/dbraw/zinc/52/19/50/564521950.db2.gz QJPJYFJLQVGJFG-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP Cc1cnn(C)c1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519166256 564571226 /nfs/dbraw/zinc/57/12/26/564571226.db2.gz ZNSDRMAEVBTZFU-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1cnn(C)c1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000519166256 564571230 /nfs/dbraw/zinc/57/12/30/564571230.db2.gz ZNSDRMAEVBTZFU-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c[nH+]c12 ZINC000484745017 564596243 /nfs/dbraw/zinc/59/62/43/564596243.db2.gz VXSSOCDWTFBTQZ-KRWDZBQOSA-N 2 2 398.301 2.588 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495015112 564846051 /nfs/dbraw/zinc/84/60/51/564846051.db2.gz DZHFNVZUBOFSLP-HIFRSBDPSA-N 2 2 380.286 2.792 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495015112 564846053 /nfs/dbraw/zinc/84/60/53/564846053.db2.gz DZHFNVZUBOFSLP-HIFRSBDPSA-N 2 2 380.286 2.792 20 0 GFADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000582545627 564850845 /nfs/dbraw/zinc/85/08/45/564850845.db2.gz VWELJFHKGPOMDI-PBHICJAKSA-N 2 2 380.330 2.783 20 0 GFADLP O=S(=O)(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc(Cl)ccc1Cl ZINC000583935096 564913436 /nfs/dbraw/zinc/91/34/36/564913436.db2.gz PDQSYDQHZJNTMQ-BETUJISGSA-N 2 2 377.337 2.699 20 0 GFADLP O=S(=O)(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cc(Cl)ccc1Cl ZINC000583935096 564913444 /nfs/dbraw/zinc/91/34/44/564913444.db2.gz PDQSYDQHZJNTMQ-BETUJISGSA-N 2 2 377.337 2.699 20 0 GFADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000499069035 564917714 /nfs/dbraw/zinc/91/77/14/564917714.db2.gz LDFDOKFRZUUMSF-UHFFFAOYSA-N 2 2 381.293 2.911 20 0 GFADLP CN(C)c1nc(N2CC[NH+](Cc3sccc3Br)CC2)cc[nH+]1 ZINC000533529783 564964785 /nfs/dbraw/zinc/96/47/85/564964785.db2.gz OOSVQMXONAAVHB-UHFFFAOYSA-N 2 2 382.331 2.689 20 0 GFADLP CCCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000468531038 564985617 /nfs/dbraw/zinc/98/56/17/564985617.db2.gz LLYCSTPTMAJTBC-UHFFFAOYSA-N 2 2 396.333 2.970 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536062051 565028209 /nfs/dbraw/zinc/02/82/09/565028209.db2.gz TZOBJFCHDPCIAE-OLZOCXBDSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536062051 565028214 /nfs/dbraw/zinc/02/82/14/565028214.db2.gz TZOBJFCHDPCIAE-OLZOCXBDSA-N 2 2 377.286 2.999 20 0 GFADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000657856123 565133434 /nfs/dbraw/zinc/13/34/34/565133434.db2.gz LJOLWAVSIRMVGX-KRWDZBQOSA-N 2 2 386.309 2.649 20 0 GFADLP Cc1cc(Br)c(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659028019 565199080 /nfs/dbraw/zinc/19/90/80/565199080.db2.gz LUCCXSIQIKYBKV-SNVBAGLBSA-N 2 2 375.698 2.518 20 0 GFADLP Cc1cc(Br)c(Cl)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659028019 565199083 /nfs/dbraw/zinc/19/90/83/565199083.db2.gz LUCCXSIQIKYBKV-SNVBAGLBSA-N 2 2 375.698 2.518 20 0 GFADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671125 565207273 /nfs/dbraw/zinc/20/72/73/565207273.db2.gz MBSRHLXJWVQLBY-MLGOLLRUSA-N 2 2 385.580 2.630 20 0 GFADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H]1c1cccs1 ZINC000638671125 565207276 /nfs/dbraw/zinc/20/72/76/565207276.db2.gz MBSRHLXJWVQLBY-MLGOLLRUSA-N 2 2 385.580 2.630 20 0 GFADLP C[NH2+][C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000659285716 565210299 /nfs/dbraw/zinc/21/02/99/565210299.db2.gz RPSWSFZLJSNNDW-KRWDZBQOSA-N 2 2 386.323 2.577 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000617763948 565256361 /nfs/dbraw/zinc/25/63/61/565256361.db2.gz CMCFBGLPHXNMRV-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(Br)c(Cl)c1 ZINC000617763948 565256363 /nfs/dbraw/zinc/25/63/63/565256363.db2.gz CMCFBGLPHXNMRV-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352555 565361865 /nfs/dbraw/zinc/36/18/65/565361865.db2.gz XFQBOGZSXURQSP-DYVFJYSZSA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352555 565361872 /nfs/dbraw/zinc/36/18/72/565361872.db2.gz XFQBOGZSXURQSP-DYVFJYSZSA-N 2 2 388.339 2.727 20 0 GFADLP O=C(NCCCNc1cccc[nH+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662459178 565369903 /nfs/dbraw/zinc/36/99/03/565369903.db2.gz WXDSMQBYMGJQIB-UHFFFAOYSA-N 2 2 381.299 2.741 20 0 GFADLP Cc1ccc(NCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)[nH+]c1 ZINC000662735640 565383689 /nfs/dbraw/zinc/38/36/89/565383689.db2.gz OESSNQFDQSFKHI-MRXNPFEDSA-N 2 2 377.286 2.771 20 0 GFADLP Cc1nc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663731477 565433135 /nfs/dbraw/zinc/43/31/35/565433135.db2.gz JLHOQBMJYJQTDI-UHFFFAOYSA-N 2 2 396.377 2.851 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780453 565441372 /nfs/dbraw/zinc/44/13/72/565441372.db2.gz RPGJXUINXWPENZ-DDUZABMNSA-N 2 2 380.330 2.609 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780453 565441376 /nfs/dbraw/zinc/44/13/76/565441376.db2.gz RPGJXUINXWPENZ-DDUZABMNSA-N 2 2 380.330 2.609 20 0 GFADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429138 565509039 /nfs/dbraw/zinc/50/90/39/565509039.db2.gz ORCMFNXUIAQSMN-LJQANCHMSA-N 2 2 390.325 2.879 20 0 GFADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1Br ZINC000623429138 565509040 /nfs/dbraw/zinc/50/90/40/565509040.db2.gz ORCMFNXUIAQSMN-LJQANCHMSA-N 2 2 390.325 2.879 20 0 GFADLP Cc1c(Br)cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1Br ZINC000623837720 565532884 /nfs/dbraw/zinc/53/28/84/565532884.db2.gz QGFXRWBOUGVBLR-LBPRGKRZSA-N 2 2 392.135 2.676 20 0 GFADLP Cc1c(Br)cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1Br ZINC000623837720 565532886 /nfs/dbraw/zinc/53/28/86/565532886.db2.gz QGFXRWBOUGVBLR-LBPRGKRZSA-N 2 2 392.135 2.676 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000597204699 565555874 /nfs/dbraw/zinc/55/58/74/565555874.db2.gz DJMWSHGLMNUISG-UHFFFAOYSA-N 2 2 399.329 2.693 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000597204699 565555877 /nfs/dbraw/zinc/55/58/77/565555877.db2.gz DJMWSHGLMNUISG-UHFFFAOYSA-N 2 2 399.329 2.693 20 0 GFADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646709143 565614540 /nfs/dbraw/zinc/61/45/40/565614540.db2.gz SBIYVKXYVIXHFH-RHSMWYFYSA-N 2 2 380.330 2.654 20 0 GFADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631315 /nfs/dbraw/zinc/63/13/15/565631315.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 2 378.314 2.730 20 0 GFADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631320 /nfs/dbraw/zinc/63/13/20/565631320.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631325 /nfs/dbraw/zinc/63/13/25/565631325.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631331 /nfs/dbraw/zinc/63/13/31/565631331.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 2 378.314 2.730 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCO[C@@H](CCC[NH+](C)C)C3)c[nH+]c12 ZINC000668785815 565666909 /nfs/dbraw/zinc/66/69/09/565666909.db2.gz YAYKUNVCJXDCJO-KRWDZBQOSA-N 2 2 395.345 2.948 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977563 565686349 /nfs/dbraw/zinc/68/63/49/565686349.db2.gz DPMVPHUPACGOAJ-IGCXYCKISA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977563 565686354 /nfs/dbraw/zinc/68/63/54/565686354.db2.gz DPMVPHUPACGOAJ-IGCXYCKISA-N 2 2 398.320 2.826 20 0 GFADLP Cc1cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279172 565782066 /nfs/dbraw/zinc/78/20/66/565782066.db2.gz YEFKCINRTRMGQS-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279172 565782067 /nfs/dbraw/zinc/78/20/67/565782067.db2.gz YEFKCINRTRMGQS-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP O=c1ccccn1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671702377 565782113 /nfs/dbraw/zinc/78/21/13/565782113.db2.gz AFMKWMOGHCLPMR-UHFFFAOYSA-N 2 2 391.269 2.603 20 0 GFADLP O=c1ccccn1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000671702377 565782116 /nfs/dbraw/zinc/78/21/16/565782116.db2.gz AFMKWMOGHCLPMR-UHFFFAOYSA-N 2 2 391.269 2.603 20 0 GFADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccncc2Br)c2ccccc2)CC1 ZINC000631062625 565937201 /nfs/dbraw/zinc/93/72/01/565937201.db2.gz XYDHYSXSCTXCFF-IBGZPJMESA-N 2 2 389.341 2.922 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248519 565966399 /nfs/dbraw/zinc/96/63/99/565966399.db2.gz XZONQJZFRXNQBE-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248519 565966402 /nfs/dbraw/zinc/96/64/02/565966402.db2.gz XZONQJZFRXNQBE-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP CN(C(=O)c1ccc(F)c(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133447 566004661 /nfs/dbraw/zinc/00/46/61/566004661.db2.gz WOZDBCJVFIGSAB-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(F)c(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133447 566004665 /nfs/dbraw/zinc/00/46/65/566004665.db2.gz WOZDBCJVFIGSAB-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP Brc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655710588 566083724 /nfs/dbraw/zinc/08/37/24/566083724.db2.gz AHWIMCMYOIQSKI-IRXDYDNUSA-N 2 2 394.357 2.871 20 0 GFADLP CS[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000826227428 608382457 /nfs/dbraw/zinc/38/24/57/608382457.db2.gz QYTSZUFMVBVWJX-CVEARBPZSA-N 2 2 383.525 2.514 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825560 660380973 /nfs/dbraw/zinc/38/09/73/660380973.db2.gz SVCDOZKQQMUJJY-HUUCEWRRSA-N 2 2 376.298 2.950 20 0 GFADLP Brc1cccc2c(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825560 660380977 /nfs/dbraw/zinc/38/09/77/660380977.db2.gz SVCDOZKQQMUJJY-HUUCEWRRSA-N 2 2 376.298 2.950 20 0 GFADLP CC(C)C[C@H]([NH2+][C@H](C)c1nc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000834733595 660831544 /nfs/dbraw/zinc/83/15/44/660831544.db2.gz PBTVVLADDVYVCM-NEPJUHHUSA-N 2 2 391.379 2.649 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000266343920 654873533 /nfs/dbraw/zinc/87/35/33/654873533.db2.gz VSMBSAYVYNEIFI-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000266343920 654873535 /nfs/dbraw/zinc/87/35/35/654873535.db2.gz VSMBSAYVYNEIFI-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869277 654989566 /nfs/dbraw/zinc/98/95/66/654989566.db2.gz FVNFKMFFFTZDFX-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000268869277 654989568 /nfs/dbraw/zinc/98/95/68/654989568.db2.gz FVNFKMFFFTZDFX-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000576400102 655446813 /nfs/dbraw/zinc/44/68/13/655446813.db2.gz WEMDZMYGFIFYRI-KGLIPLIRSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000576400102 655446814 /nfs/dbraw/zinc/44/68/14/655446814.db2.gz WEMDZMYGFIFYRI-KGLIPLIRSA-N 2 2 399.329 2.869 20 0 GFADLP C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000731318373 655583156 /nfs/dbraw/zinc/58/31/56/655583156.db2.gz LKRQHAHHMHBWQY-UHFFFAOYSA-N 2 2 389.396 2.984 20 0 GFADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104920 661233739 /nfs/dbraw/zinc/23/37/39/661233739.db2.gz WPQCURFULUJETO-ZBFHGGJFSA-N 2 2 393.329 2.815 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410639 656527142 /nfs/dbraw/zinc/52/71/42/656527142.db2.gz BZDCEASFZWVUKL-UKRRQHHQSA-N 2 2 387.355 2.633 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000796497481 658920134 /nfs/dbraw/zinc/92/01/34/658920134.db2.gz LDFFURRYRWWGEB-AYHJJNSGSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000796497481 658920141 /nfs/dbraw/zinc/92/01/41/658920141.db2.gz LDFFURRYRWWGEB-AYHJJNSGSA-N 2 2 394.357 2.931 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113287 661369064 /nfs/dbraw/zinc/36/90/64/661369064.db2.gz REPMXDGXLUGQAW-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000843113287 661369069 /nfs/dbraw/zinc/36/90/69/661369069.db2.gz REPMXDGXLUGQAW-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP C[C@@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1Cl ZINC000846876641 661568191 /nfs/dbraw/zinc/56/81/91/661568191.db2.gz WEUKAUCEKGVEHH-MRXNPFEDSA-N 2 2 399.720 2.855 20 0 GFADLP BrC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898619 661569726 /nfs/dbraw/zinc/56/97/26/661569726.db2.gz ISOBVMATAGTBJP-SFHVURJKSA-N 2 2 378.358 2.806 20 0 GFADLP BrC1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000846898619 661569730 /nfs/dbraw/zinc/56/97/30/661569730.db2.gz ISOBVMATAGTBJP-SFHVURJKSA-N 2 2 378.358 2.806 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000850434014 661775980 /nfs/dbraw/zinc/77/59/80/661775980.db2.gz UAFRRACMFYAHAE-BFYDXBDKSA-N 2 2 398.288 2.731 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000850434014 661775982 /nfs/dbraw/zinc/77/59/82/661775982.db2.gz UAFRRACMFYAHAE-BFYDXBDKSA-N 2 2 398.288 2.731 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)c1C ZINC000870876750 662704414 /nfs/dbraw/zinc/70/44/14/662704414.db2.gz XPXQDIAHAYABRK-HNNXBMFYSA-N 2 2 378.270 2.786 20 0 GFADLP [NH3+][C@@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc(Br)c1 ZINC000870883092 662704650 /nfs/dbraw/zinc/70/46/50/662704650.db2.gz ZKOSWNIFFLNTGJ-MRXNPFEDSA-N 2 2 377.286 2.852 20 0 GFADLP C[NH+]1CCC(CNC(=O)NCc2ncc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000873176762 662803107 /nfs/dbraw/zinc/80/31/07/662803107.db2.gz UXEGSZQLSKBSOP-UHFFFAOYSA-N 2 2 385.965 2.546 20 0 GFADLP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1(F)F ZINC000876720655 662865395 /nfs/dbraw/zinc/86/53/95/662865395.db2.gz ANDRMIWTXLZHMO-WDBKCZKBSA-N 2 2 375.822 2.572 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H](C[NH+](C)C)OCC)cc(Br)c1O ZINC000896879991 663580416 /nfs/dbraw/zinc/58/04/16/663580416.db2.gz KQGPEWKOSMZIGT-CYBMUJFWSA-N 2 2 375.307 2.610 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806338 663767695 /nfs/dbraw/zinc/76/76/95/663767695.db2.gz KGELSEZVPTXYRR-KGLIPLIRSA-N 2 2 377.476 2.824 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)c[nH+]c12 ZINC000903982595 663815260 /nfs/dbraw/zinc/81/52/60/663815260.db2.gz RPOXDEPMKXTDDA-VXGBXAGGSA-N 2 2 377.208 2.727 20 0 GFADLP Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(N(C)C)[nH+]1 ZINC001164695657 719887600 /nfs/dbraw/zinc/88/76/00/719887600.db2.gz PKYRINFAFOXITD-UHFFFAOYSA-N 2 2 387.553 2.784 20 0 GFADLP Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(N(C)C)[nH+]1 ZINC001164695657 719887601 /nfs/dbraw/zinc/88/76/01/719887601.db2.gz PKYRINFAFOXITD-UHFFFAOYSA-N 2 2 387.553 2.784 20 0 GFADLP Cc1nc(N(C)C)cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164695657 719887602 /nfs/dbraw/zinc/88/76/02/719887602.db2.gz PKYRINFAFOXITD-UHFFFAOYSA-N 2 2 387.553 2.784 20 0 GFADLP Cc1nc(N(C)C)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164695657 719887603 /nfs/dbraw/zinc/88/76/03/719887603.db2.gz PKYRINFAFOXITD-UHFFFAOYSA-N 2 2 387.553 2.784 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725323 720472272 /nfs/dbraw/zinc/47/22/72/720472272.db2.gz JOYIALITIRMLHC-FGZHOGPDSA-N 3 2 393.535 2.803 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725323 720472276 /nfs/dbraw/zinc/47/22/76/720472276.db2.gz JOYIALITIRMLHC-FGZHOGPDSA-N 3 2 393.535 2.803 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835916 720587530 /nfs/dbraw/zinc/58/75/30/720587530.db2.gz CRXRNEJDMVQLER-SLFFLAALSA-N 2 2 396.539 2.923 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835916 720587550 /nfs/dbraw/zinc/58/75/50/720587550.db2.gz CRXRNEJDMVQLER-SLFFLAALSA-N 2 2 396.539 2.923 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749962 720879964 /nfs/dbraw/zinc/87/99/64/720879964.db2.gz IEVBPFMBSIOIIZ-NFBKMPQASA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc[nH+]c1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164749962 720879966 /nfs/dbraw/zinc/87/99/66/720879966.db2.gz IEVBPFMBSIOIIZ-NFBKMPQASA-N 2 2 393.535 2.814 20 0 GFADLP Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)ncc1Br ZINC000623368932 532387966 /nfs/dbraw/zinc/38/79/66/532387966.db2.gz FYGFNOSEXKWKNE-UHFFFAOYSA-N 2 2 376.302 2.911 20 0 GFADLP CCN(CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)S(C)(=O)=O ZINC000128300037 551348652 /nfs/dbraw/zinc/34/86/52/551348652.db2.gz IWYMNJRSYCQRIM-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP Cc1cccn2c(C[NH2+]C[C@@H](O)COc3ccccc3Br)c[nH+]c12 ZINC000130957426 551370302 /nfs/dbraw/zinc/37/03/02/551370302.db2.gz VFSBWZPMITWVFC-OAHLLOKOSA-N 2 2 390.281 2.935 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305425 551373926 /nfs/dbraw/zinc/37/39/26/551373926.db2.gz YERDQOOZCYBHDJ-CXAGYDPISA-N 2 2 380.330 2.924 20 0 GFADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131305425 551373929 /nfs/dbraw/zinc/37/39/29/551373929.db2.gz YERDQOOZCYBHDJ-CXAGYDPISA-N 2 2 380.330 2.924 20 0 GFADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000154045433 551466137 /nfs/dbraw/zinc/46/61/37/551466137.db2.gz VUGNTVHHAURAPI-KRWDZBQOSA-N 2 2 380.330 2.783 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654506 552090493 /nfs/dbraw/zinc/09/04/93/552090493.db2.gz VOFDTGRCKJWVLU-UONOGXRCSA-N 2 2 398.345 2.661 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039119 552243784 /nfs/dbraw/zinc/24/37/84/552243784.db2.gz DFRVPAJUYCIHQL-ZIAGYGMSSA-N 2 2 386.323 2.577 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000182274752 552280448 /nfs/dbraw/zinc/28/04/48/552280448.db2.gz PIVNBCZXZBYOKF-HNNXBMFYSA-N 2 2 399.329 2.883 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000182274752 552280449 /nfs/dbraw/zinc/28/04/49/552280449.db2.gz PIVNBCZXZBYOKF-HNNXBMFYSA-N 2 2 399.329 2.883 20 0 GFADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236639086 553070406 /nfs/dbraw/zinc/07/04/06/553070406.db2.gz CRSMBRMENJXGIS-UGFHNGPFSA-N 2 2 377.286 2.634 20 0 GFADLP C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC[NH2+]CC1 ZINC000237495372 553078124 /nfs/dbraw/zinc/07/81/24/553078124.db2.gz LDWSKDLFASSKFP-LBPRGKRZSA-N 2 2 379.302 2.739 20 0 GFADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254600 553140893 /nfs/dbraw/zinc/14/08/93/553140893.db2.gz HKFKYNMBMLPPSV-YJBOKZPZSA-N 2 2 392.341 2.972 20 0 GFADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000249254600 553140896 /nfs/dbraw/zinc/14/08/96/553140896.db2.gz HKFKYNMBMLPPSV-YJBOKZPZSA-N 2 2 392.341 2.972 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000261946437 553163239 /nfs/dbraw/zinc/16/32/39/553163239.db2.gz FJFQWHDWQYEXGG-CYBMUJFWSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(Cl)c1 ZINC000261946437 553163241 /nfs/dbraw/zinc/16/32/41/553163241.db2.gz FJFQWHDWQYEXGG-CYBMUJFWSA-N 2 2 388.737 2.922 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262356379 553169712 /nfs/dbraw/zinc/16/97/12/553169712.db2.gz JMLUAUPJQRJTNU-ZDUSSCGKSA-N 2 2 378.929 2.817 20 0 GFADLP CN(C(=O)c1ccc(Br)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832736 563257404 /nfs/dbraw/zinc/25/74/04/563257404.db2.gz ZJVXOTWIIBXMDD-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1ccc(Br)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832736 563257407 /nfs/dbraw/zinc/25/74/07/563257407.db2.gz ZJVXOTWIIBXMDD-ZDUSSCGKSA-N 2 2 386.359 2.751 20 0 GFADLP O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348383 563262067 /nfs/dbraw/zinc/26/20/67/563262067.db2.gz LETVBYPURRHICN-WMZOPIPTSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348383 563262069 /nfs/dbraw/zinc/26/20/69/563262069.db2.gz LETVBYPURRHICN-WMZOPIPTSA-N 2 2 378.314 2.630 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1Br ZINC000371426223 563277056 /nfs/dbraw/zinc/27/70/56/563277056.db2.gz WGLSYVNWCIDXNK-QGZVFWFLSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1Br ZINC000371426223 563277058 /nfs/dbraw/zinc/27/70/58/563277058.db2.gz WGLSYVNWCIDXNK-QGZVFWFLSA-N 2 2 396.373 2.917 20 0 GFADLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047469 563294363 /nfs/dbraw/zinc/29/43/63/563294363.db2.gz ROKCZGKHEOIDSM-OALUTQOASA-N 2 2 396.373 2.896 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744419 563308770 /nfs/dbraw/zinc/30/87/70/563308770.db2.gz PIUYFHQIIWGVBO-PREGVCBESA-N 2 2 380.330 2.625 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000279744419 563308772 /nfs/dbraw/zinc/30/87/72/563308772.db2.gz PIUYFHQIIWGVBO-PREGVCBESA-N 2 2 380.330 2.625 20 0 GFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280156286 563325055 /nfs/dbraw/zinc/32/50/55/563325055.db2.gz QLFWQHLUSJUWFJ-JTQLQIEISA-N 2 2 377.297 2.578 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422995445 563352652 /nfs/dbraw/zinc/35/26/52/563352652.db2.gz YAWZPKNJSOACRC-CYBMUJFWSA-N 2 2 391.313 2.944 20 0 GFADLP CC[NH2+]CCN[C@@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423243401 563359208 /nfs/dbraw/zinc/35/92/08/563359208.db2.gz KHNAJBVYUQGDHN-OAHLLOKOSA-N 2 2 398.292 2.796 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(I)cc1 ZINC000423219077 563359432 /nfs/dbraw/zinc/35/94/32/563359432.db2.gz VUOHBQFTMYWLOZ-HUUCEWRRSA-N 2 2 396.276 2.549 20 0 GFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510933 563361346 /nfs/dbraw/zinc/36/13/46/563361346.db2.gz SXLUGBQENQYSGL-LKFCYVNXSA-N 2 2 380.341 2.809 20 0 GFADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423571294 563362016 /nfs/dbraw/zinc/36/20/16/563362016.db2.gz NOVGUZOZSIODOK-CMPLNLGQSA-N 2 2 379.810 2.654 20 0 GFADLP [NH3+]C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512521 563362108 /nfs/dbraw/zinc/36/21/08/563362108.db2.gz UVGOUDKTXFFLKU-CABCVRRESA-N 2 2 387.343 2.775 20 0 GFADLP Brc1ccc2nc(C[NH2+]Cc3cc(C4CC[NH2+]CC4)no3)cn2c1 ZINC000425892489 563440204 /nfs/dbraw/zinc/44/02/04/563440204.db2.gz BBJJPYZUZWWIKF-UHFFFAOYSA-N 2 2 390.285 2.842 20 0 GFADLP C[NH+]1CCC2(CCC[N@@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382946 563440663 /nfs/dbraw/zinc/44/06/63/563440663.db2.gz FVTLMDSWDHUCJK-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+]1CCC2(CCC[N@H+]([C@@H](C(N)=O)c3ccc(Br)cc3)C2)CC1 ZINC000376382946 563440665 /nfs/dbraw/zinc/44/06/65/563440665.db2.gz FVTLMDSWDHUCJK-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626741 563481883 /nfs/dbraw/zinc/48/18/83/563481883.db2.gz OFMZGTOWWUCSRF-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626741 563481888 /nfs/dbraw/zinc/48/18/88/563481888.db2.gz OFMZGTOWWUCSRF-MRXNPFEDSA-N 2 2 396.373 2.917 20 0 GFADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409726790 563569859 /nfs/dbraw/zinc/56/98/59/563569859.db2.gz LNXNPJWXABGESG-CYBMUJFWSA-N 2 2 395.320 2.996 20 0 GFADLP C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000332304317 563591858 /nfs/dbraw/zinc/59/18/58/563591858.db2.gz GNRPOQLUZONOFN-HUBLWGQQSA-N 2 2 387.343 2.645 20 0 GFADLP CN(CC[N@H+](C)Cc1cnc2ccc(Br)cn12)C1CC[NH+](C)CC1 ZINC000289687528 563683391 /nfs/dbraw/zinc/68/33/91/563683391.db2.gz FHPGYTSOPHOCHS-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN(CC[N@@H+](C)Cc1cnc2ccc(Br)cn12)C1CC[NH+](C)CC1 ZINC000289687528 563683394 /nfs/dbraw/zinc/68/33/94/563683394.db2.gz FHPGYTSOPHOCHS-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+](C)C ZINC000413808451 563706453 /nfs/dbraw/zinc/70/64/53/563706453.db2.gz ROXGFAMOBJBXJF-CQSZACIVSA-N 2 2 383.290 2.608 20 0 GFADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409263 563707207 /nfs/dbraw/zinc/70/72/07/563707207.db2.gz ZPEHDQVHIJVLFK-QGZVFWFLSA-N 2 2 385.961 2.567 20 0 GFADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409263 563707208 /nfs/dbraw/zinc/70/72/08/563707208.db2.gz ZPEHDQVHIJVLFK-QGZVFWFLSA-N 2 2 385.961 2.567 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn2ccc(Br)cc2n1 ZINC000291554053 563747520 /nfs/dbraw/zinc/74/75/20/563747520.db2.gz MMJAYPPYDKTDPK-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn2ccc(Br)cc2n1 ZINC000291554053 563747524 /nfs/dbraw/zinc/74/75/24/563747524.db2.gz MMJAYPPYDKTDPK-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP C[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364306024 563749262 /nfs/dbraw/zinc/74/92/62/563749262.db2.gz QUKACRDQGCQFDZ-CQSZACIVSA-N 2 2 384.977 2.754 20 0 GFADLP C[C@@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364306024 563749266 /nfs/dbraw/zinc/74/92/66/563749266.db2.gz QUKACRDQGCQFDZ-CQSZACIVSA-N 2 2 384.977 2.754 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc(Br)c1OC ZINC000414938251 563754538 /nfs/dbraw/zinc/75/45/38/563754538.db2.gz DYYWBYOXMDYFNC-QGZVFWFLSA-N 2 2 387.318 2.715 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415109662 563759791 /nfs/dbraw/zinc/75/97/91/563759791.db2.gz NUBNETIVQYKCKT-QGZVFWFLSA-N 2 2 393.329 2.801 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415109662 563759793 /nfs/dbraw/zinc/75/97/93/563759793.db2.gz NUBNETIVQYKCKT-QGZVFWFLSA-N 2 2 393.329 2.801 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000364722108 563762540 /nfs/dbraw/zinc/76/25/40/563762540.db2.gz JRADXZWGJLZKFC-UHFFFAOYSA-N 2 2 389.323 2.531 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062707 563873734 /nfs/dbraw/zinc/87/37/34/563873734.db2.gz CUZDLIXNYQKCAI-UONOGXRCSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000447062707 563873736 /nfs/dbraw/zinc/87/37/36/563873736.db2.gz CUZDLIXNYQKCAI-UONOGXRCSA-N 2 2 376.444 2.825 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940030 563892129 /nfs/dbraw/zinc/89/21/29/563892129.db2.gz KWIAOMSBAPBWBB-MJBXVCDLSA-N 2 2 378.826 2.506 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940030 563892130 /nfs/dbraw/zinc/89/21/30/563892130.db2.gz KWIAOMSBAPBWBB-MJBXVCDLSA-N 2 2 378.826 2.506 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])[nH+]c12 ZINC000418021502 563895567 /nfs/dbraw/zinc/89/55/67/563895567.db2.gz PVGAWLMBIUFOLW-IAQYHMDHSA-N 2 2 394.317 2.674 20 0 GFADLP CCCC[C@H](C[NH3+])NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418018289 563895646 /nfs/dbraw/zinc/89/56/46/563895646.db2.gz ILPZPBWREWSTOL-CQSZACIVSA-N 2 2 396.333 2.764 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CC(C)(C)C[NH3+])[nH+]c12 ZINC000418017684 563895690 /nfs/dbraw/zinc/89/56/90/563895690.db2.gz HTSUWFOHDXUYHB-UHFFFAOYSA-N 2 2 396.333 2.574 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])[nH+]c12 ZINC000418020722 563895737 /nfs/dbraw/zinc/89/57/37/563895737.db2.gz HBBGCWXEURUGQN-IUODEOHRSA-N 2 2 394.317 2.817 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372750 564182371 /nfs/dbraw/zinc/18/23/71/564182371.db2.gz ADCVRVYDKXYOET-QAPCUYQASA-N 2 2 390.325 2.721 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372750 564182376 /nfs/dbraw/zinc/18/23/76/564182376.db2.gz ADCVRVYDKXYOET-QAPCUYQASA-N 2 2 390.325 2.721 20 0 GFADLP O=C(C[NH2+]Cc1c(F)cccc1Br)NCC[NH+]1CCCCCC1 ZINC000563543130 564196331 /nfs/dbraw/zinc/19/63/31/564196331.db2.gz POCDACNMKTXSDI-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[C@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000565230614 564271866 /nfs/dbraw/zinc/27/18/66/564271866.db2.gz TWZHPABBCHYGIL-INIZCTEOSA-N 2 2 393.329 2.784 20 0 GFADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474631597 564284208 /nfs/dbraw/zinc/28/42/08/564284208.db2.gz SMYYKXUVHDUKMG-UHFFFAOYSA-N 2 2 377.176 2.864 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474927569 564294134 /nfs/dbraw/zinc/29/41/34/564294134.db2.gz FNCDTDHYOYKQEG-UHFFFAOYSA-N 2 2 385.224 2.752 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000474927569 564294138 /nfs/dbraw/zinc/29/41/38/564294138.db2.gz FNCDTDHYOYKQEG-UHFFFAOYSA-N 2 2 385.224 2.752 20 0 GFADLP O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000451967282 564373083 /nfs/dbraw/zinc/37/30/83/564373083.db2.gz QPMAULBAOYLHPN-LJQANCHMSA-N 2 2 379.595 2.611 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CC[NH+](C)C)[nH+]c12 ZINC000544682891 564394128 /nfs/dbraw/zinc/39/41/28/564394128.db2.gz RXFDYJPTPZPPBO-ZDUSSCGKSA-N 2 2 396.333 2.587 20 0 GFADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568662598 564429130 /nfs/dbraw/zinc/42/91/30/564429130.db2.gz FBIAZNBVRCVDGL-UHFFFAOYSA-N 2 2 397.361 2.727 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272019 564466775 /nfs/dbraw/zinc/46/67/75/564466775.db2.gz BJJWYJDAOCFPLD-LRDDRELGSA-N 2 2 399.354 2.742 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272019 564466778 /nfs/dbraw/zinc/46/67/78/564466778.db2.gz BJJWYJDAOCFPLD-LRDDRELGSA-N 2 2 399.354 2.742 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]CCC[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000480328007 564468608 /nfs/dbraw/zinc/46/86/08/564468608.db2.gz NHVANYAAGKASPF-HNNXBMFYSA-N 2 2 387.343 2.743 20 0 GFADLP C[NH2+]C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000569572994 564469931 /nfs/dbraw/zinc/46/99/31/564469931.db2.gz JFNSJJUMNIWTLN-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000481734372 564521204 /nfs/dbraw/zinc/52/12/04/564521204.db2.gz WFZPKCZBTQEQET-NOZJJQNGSA-N 2 2 394.684 2.993 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000481734372 564521207 /nfs/dbraw/zinc/52/12/07/564521207.db2.gz WFZPKCZBTQEQET-NOZJJQNGSA-N 2 2 394.684 2.993 20 0 GFADLP CN(C)c1cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)[nH+]cc1Br ZINC000455870863 564577842 /nfs/dbraw/zinc/57/78/42/564577842.db2.gz SPZWZTVNZMLJRT-CYBMUJFWSA-N 2 2 396.289 2.928 20 0 GFADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000572955702 564617016 /nfs/dbraw/zinc/61/70/16/564617016.db2.gz NZVRUSKGFQLRKM-LBPRGKRZSA-N 2 2 384.322 2.762 20 0 GFADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000572955702 564617020 /nfs/dbraw/zinc/61/70/20/564617020.db2.gz NZVRUSKGFQLRKM-LBPRGKRZSA-N 2 2 384.322 2.762 20 0 GFADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574101670 564668637 /nfs/dbraw/zinc/66/86/37/564668637.db2.gz JCJBJSNVXSDYQY-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766820 564688445 /nfs/dbraw/zinc/68/84/45/564688445.db2.gz SLNDOVCMWLYOPZ-SFHVURJKSA-N 2 2 385.346 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766820 564688448 /nfs/dbraw/zinc/68/84/48/564688448.db2.gz SLNDOVCMWLYOPZ-SFHVURJKSA-N 2 2 385.346 2.568 20 0 GFADLP C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000575134133 564692251 /nfs/dbraw/zinc/69/22/51/564692251.db2.gz JWLYJVGXKATECJ-UONOGXRCSA-N 2 2 376.913 2.726 20 0 GFADLP C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)sc2C1 ZINC000575134133 564692255 /nfs/dbraw/zinc/69/22/55/564692255.db2.gz JWLYJVGXKATECJ-UONOGXRCSA-N 2 2 376.913 2.726 20 0 GFADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccsc2Br)CC1 ZINC000527647210 564753279 /nfs/dbraw/zinc/75/32/79/564753279.db2.gz YIIAECRJKRDHSE-UHFFFAOYSA-N 2 2 381.343 2.947 20 0 GFADLP Cc1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)ccc1Br ZINC000459662097 564755861 /nfs/dbraw/zinc/75/58/61/564755861.db2.gz NDGXFJXAUYZGHG-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)ccc1Br ZINC000459662097 564755864 /nfs/dbraw/zinc/75/58/64/564755864.db2.gz NDGXFJXAUYZGHG-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529610510 564844685 /nfs/dbraw/zinc/84/46/85/564844685.db2.gz GRRCCDQNEFAJKL-UHFFFAOYSA-N 2 2 399.352 2.975 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529610510 564844689 /nfs/dbraw/zinc/84/46/89/564844689.db2.gz GRRCCDQNEFAJKL-UHFFFAOYSA-N 2 2 399.352 2.975 20 0 GFADLP Clc1ccc(Cc2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424022 564846529 /nfs/dbraw/zinc/84/65/29/564846529.db2.gz SUZJFWKGMMUTRR-SFHVURJKSA-N 2 2 376.957 2.867 20 0 GFADLP Clc1ccc(Cc2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424022 564846531 /nfs/dbraw/zinc/84/65/31/564846531.db2.gz SUZJFWKGMMUTRR-SFHVURJKSA-N 2 2 376.957 2.867 20 0 GFADLP Oc1ccc(Br)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532724585 564943447 /nfs/dbraw/zinc/94/34/47/564943447.db2.gz OESXFSTWJCOQJB-IBGZPJMESA-N 2 2 391.309 2.881 20 0 GFADLP Oc1ccc(Br)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532724585 564943449 /nfs/dbraw/zinc/94/34/49/564943449.db2.gz OESXFSTWJCOQJB-IBGZPJMESA-N 2 2 391.309 2.881 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469135 564995905 /nfs/dbraw/zinc/99/59/05/564995905.db2.gz ZYLNCESDWAWEKJ-ZIAGYGMSSA-N 2 2 398.345 2.696 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469135 564995907 /nfs/dbraw/zinc/99/59/07/564995907.db2.gz ZYLNCESDWAWEKJ-ZIAGYGMSSA-N 2 2 398.345 2.696 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000534846633 564998101 /nfs/dbraw/zinc/99/81/01/564998101.db2.gz VELIGAAXYDOPJJ-DEOSSOPVSA-N 2 2 387.336 2.657 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067433 565028838 /nfs/dbraw/zinc/02/88/38/565028838.db2.gz QGMGZRJFBUXSPY-QWHCGFSZSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067433 565028841 /nfs/dbraw/zinc/02/88/41/565028841.db2.gz QGMGZRJFBUXSPY-QWHCGFSZSA-N 2 2 377.286 2.999 20 0 GFADLP CC(C)C[C@H]([NH2+][C@H](C)c1ncc(Br)s1)C(=O)NCC[NH+](C)C ZINC000537443792 565058636 /nfs/dbraw/zinc/05/86/36/565058636.db2.gz DDGOUMKCIOYUHF-NEPJUHHUSA-N 2 2 391.379 2.649 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cncc3Br)cc2)C1 ZINC000657596184 565112087 /nfs/dbraw/zinc/11/20/87/565112087.db2.gz MBSGPENSBIEISZ-HNNXBMFYSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cncc3Br)cc2)C1 ZINC000657596184 565112090 /nfs/dbraw/zinc/11/20/90/565112090.db2.gz MBSGPENSBIEISZ-HNNXBMFYSA-N 2 2 394.288 2.840 20 0 GFADLP Cc1cc(Br)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000657673078 565118252 /nfs/dbraw/zinc/11/82/52/565118252.db2.gz CDAOWWUCHWJYBV-UHFFFAOYSA-N 2 2 396.358 2.651 20 0 GFADLP CO[C@@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CCOC1 ZINC000639063546 565223136 /nfs/dbraw/zinc/22/31/36/565223136.db2.gz XUZUMDARTLDOLM-BBRMVZONSA-N 2 2 382.302 2.589 20 0 GFADLP Cc1[nH+]ccn1CCCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000641150161 565350017 /nfs/dbraw/zinc/35/00/17/565350017.db2.gz XPDZDISNSQUATO-INIZCTEOSA-N 2 2 375.274 2.684 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741060 565357507 /nfs/dbraw/zinc/35/75/07/565357507.db2.gz NFAHKIVGMBMASG-GUTXKFCHSA-N 2 2 381.567 2.740 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741060 565357511 /nfs/dbraw/zinc/35/75/11/565357511.db2.gz NFAHKIVGMBMASG-GUTXKFCHSA-N 2 2 381.567 2.740 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)c1ccsc1 ZINC000662379108 565363957 /nfs/dbraw/zinc/36/39/57/565363957.db2.gz PTKSFJCTCABKSI-HUUCEWRRSA-N 2 2 382.327 2.930 20 0 GFADLP C[NH+](C)Cc1ccnc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662490746 565371660 /nfs/dbraw/zinc/37/16/60/565371660.db2.gz TXWOANNBJXYNPX-UHFFFAOYSA-N 2 2 381.299 2.823 20 0 GFADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663537 565381192 /nfs/dbraw/zinc/38/11/92/565381192.db2.gz NUAAYSFLLJUONO-XHDPSFHLSA-N 2 2 376.448 2.856 20 0 GFADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)n2)C1 ZINC000662663537 565381198 /nfs/dbraw/zinc/38/11/98/565381198.db2.gz NUAAYSFLLJUONO-XHDPSFHLSA-N 2 2 376.448 2.856 20 0 GFADLP Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000641773350 565398561 /nfs/dbraw/zinc/39/85/61/565398561.db2.gz HNGCMYVBLBRGDY-AWEZNQCLSA-N 2 2 382.346 2.961 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641862041 565400710 /nfs/dbraw/zinc/40/07/10/565400710.db2.gz IHHBDHIELIJAMH-IDOMTICXSA-N 2 2 395.345 2.742 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304402 565411168 /nfs/dbraw/zinc/41/11/68/565411168.db2.gz QBQWWGKACFTQON-GUYCJALGSA-N 2 2 396.329 2.619 20 0 GFADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621260711 565413188 /nfs/dbraw/zinc/41/31/88/565413188.db2.gz NDEDGJBKLRIKPU-HNNXBMFYSA-N 2 2 386.334 2.785 20 0 GFADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621260711 565413195 /nfs/dbraw/zinc/41/31/95/565413195.db2.gz NDEDGJBKLRIKPU-HNNXBMFYSA-N 2 2 386.334 2.785 20 0 GFADLP Cc1cc(Br)c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000666637425 565545696 /nfs/dbraw/zinc/54/56/96/565545696.db2.gz HCYCXTJSFNTMKU-UHFFFAOYSA-N 2 2 391.379 2.502 20 0 GFADLP Cc1cc(Br)c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000666637425 565545699 /nfs/dbraw/zinc/54/56/99/565545699.db2.gz HCYCXTJSFNTMKU-UHFFFAOYSA-N 2 2 391.379 2.502 20 0 GFADLP COc1cc(Br)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000646103152 565586014 /nfs/dbraw/zinc/58/60/14/565586014.db2.gz FLVCZIZYUMPZSH-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP COc1cc(Br)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OC ZINC000646103152 565586021 /nfs/dbraw/zinc/58/60/21/565586021.db2.gz FLVCZIZYUMPZSH-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c(F)cncc3Br)CC2)CC1 ZINC000667688699 565601503 /nfs/dbraw/zinc/60/15/03/565601503.db2.gz AUBQNUCJUASLAT-UHFFFAOYSA-N 2 2 399.352 2.974 20 0 GFADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646709145 565615736 /nfs/dbraw/zinc/61/57/36/565615736.db2.gz SBIYVKXYVIXHFH-YOEHRIQHSA-N 2 2 380.330 2.654 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCOC4(CC[NH+](C)CC4)C3)c[nH+]c12 ZINC000648072195 565690120 /nfs/dbraw/zinc/69/01/20/565690120.db2.gz QPPXNOXKPCBGFA-UHFFFAOYSA-N 2 2 393.329 2.702 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162086 565692415 /nfs/dbraw/zinc/69/24/15/565692415.db2.gz IGWCWZLECCLWAB-TUKIKUTGSA-N 2 2 375.822 2.585 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162086 565692421 /nfs/dbraw/zinc/69/24/21/565692421.db2.gz IGWCWZLECCLWAB-TUKIKUTGSA-N 2 2 375.822 2.585 20 0 GFADLP O[C@]1(C[NH2+]Cc2ccncc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000631077074 565937952 /nfs/dbraw/zinc/93/79/52/565937952.db2.gz CHUPUJVYTXPGFU-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@]1(C[NH2+]Cc2ccncc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000631077074 565937956 /nfs/dbraw/zinc/93/79/56/565937956.db2.gz CHUPUJVYTXPGFU-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP CCOc1ccc(Br)cc1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000653086761 565954255 /nfs/dbraw/zinc/95/42/55/565954255.db2.gz ARDIPRDRCIDZAC-MRXNPFEDSA-N 2 2 398.345 2.618 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)nc12 ZINC000655754156 566086965 /nfs/dbraw/zinc/08/69/65/566086965.db2.gz OJXHJYKJXDSBOX-KRWDZBQOSA-N 2 2 393.329 2.748 20 0 GFADLP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)[nH+]1 ZINC000635444362 566213420 /nfs/dbraw/zinc/21/34/20/566213420.db2.gz QCWHFZBUMDMBSS-UHFFFAOYSA-N 2 2 393.329 2.868 20 0 GFADLP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(-c4nn[nH]n4)o3)cc2)CC1 ZINC000821583105 607317887 /nfs/dbraw/zinc/31/78/87/607317887.db2.gz IRLAZNPCOCAESB-UHFFFAOYSA-N 2 2 381.484 2.850 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736096428 598561242 /nfs/dbraw/zinc/56/12/42/598561242.db2.gz MABQXUDRZXHGGJ-INIZCTEOSA-N 2 2 389.463 2.821 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821808952 599404430 /nfs/dbraw/zinc/40/44/30/599404430.db2.gz KYZOPMVTPIJBOG-UHFFFAOYSA-N 2 2 392.507 2.672 20 0 GFADLP Cc1[nH+]ccn1CCCCNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cc(C)cc12 ZINC000822194978 599582592 /nfs/dbraw/zinc/58/25/92/599582592.db2.gz BTLDYBCLIMQAAW-UHFFFAOYSA-N 2 2 376.468 2.851 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)CCO1 ZINC000820759133 607476884 /nfs/dbraw/zinc/47/68/84/607476884.db2.gz HOZBGYCBQVXDFY-OAHLLOKOSA-N 2 2 396.470 2.516 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)CCO1 ZINC000820759133 607476885 /nfs/dbraw/zinc/47/68/85/607476885.db2.gz HOZBGYCBQVXDFY-OAHLLOKOSA-N 2 2 396.470 2.516 20 0 GFADLP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524885 607479319 /nfs/dbraw/zinc/47/93/19/607479319.db2.gz NWZIAQJDWXKXJE-MAUKXSAKSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524885 607479320 /nfs/dbraw/zinc/47/93/20/607479320.db2.gz NWZIAQJDWXKXJE-MAUKXSAKSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524885 607479321 /nfs/dbraw/zinc/47/93/21/607479321.db2.gz NWZIAQJDWXKXJE-MAUKXSAKSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524885 607479322 /nfs/dbraw/zinc/47/93/22/607479322.db2.gz NWZIAQJDWXKXJE-MAUKXSAKSA-N 2 2 377.496 2.568 20 0 GFADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000822740171 607058232 /nfs/dbraw/zinc/05/82/32/607058232.db2.gz HVRFUHHHIANZRS-UHFFFAOYSA-N 2 2 380.471 2.803 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000826521285 608135506 /nfs/dbraw/zinc/13/55/06/608135506.db2.gz HAIKQOBQKJKJKS-QXAKKESOSA-N 2 2 378.480 2.850 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000826521285 608135507 /nfs/dbraw/zinc/13/55/07/608135507.db2.gz HAIKQOBQKJKJKS-QXAKKESOSA-N 2 2 378.480 2.850 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC000826331086 609136004 /nfs/dbraw/zinc/13/60/04/609136004.db2.gz UJFUANWZPLLMQS-LBPRGKRZSA-N 2 2 378.415 2.746 20 0 GFADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824657934 609245536 /nfs/dbraw/zinc/24/55/36/609245536.db2.gz SSOFJJJYWPZJKD-HNNXBMFYSA-N 2 2 392.511 2.965 20 0 GFADLP C[NH+]1CCC(CNC(=O)NC[C@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000836589565 660918300 /nfs/dbraw/zinc/91/83/00/660918300.db2.gz NJKVKELMQSIOGV-INIZCTEOSA-N 2 2 391.387 2.820 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869271 654989504 /nfs/dbraw/zinc/98/95/04/654989504.db2.gz FVNFKMFFFTZDFX-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000268869271 654989509 /nfs/dbraw/zinc/98/95/09/654989509.db2.gz FVNFKMFFFTZDFX-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683078 655566693 /nfs/dbraw/zinc/56/66/93/655566693.db2.gz BBZSDSPWDLEKIA-SJORKVTESA-N 2 2 379.298 2.678 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CO2 ZINC000729683078 655566694 /nfs/dbraw/zinc/56/66/94/655566694.db2.gz BBZSDSPWDLEKIA-SJORKVTESA-N 2 2 379.298 2.678 20 0 GFADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2occc2Br)c1 ZINC000735323081 655645279 /nfs/dbraw/zinc/64/52/79/655645279.db2.gz QDVJMNDXBORMFA-UHFFFAOYSA-N 2 2 380.286 2.623 20 0 GFADLP C[NH+]1CCC(CNC(=S)Nc2ccc(Cl)nc2)([NH+]2CCCCC2)CC1 ZINC000741873538 655708794 /nfs/dbraw/zinc/70/87/94/655708794.db2.gz FBKGSZSXSMJGDY-UHFFFAOYSA-N 2 2 381.977 2.972 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749157 655888403 /nfs/dbraw/zinc/88/84/03/655888403.db2.gz GBIQXDVKCKBHBT-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749157 655888405 /nfs/dbraw/zinc/88/84/05/655888405.db2.gz GBIQXDVKCKBHBT-CQSZACIVSA-N 2 2 393.329 2.780 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@H](C(F)F)C1)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000859297281 662151188 /nfs/dbraw/zinc/15/11/88/662151188.db2.gz WYGPUXVFAHJPDK-KBPBESRZSA-N 2 2 386.506 2.627 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@H](C(F)F)C1)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000859297281 662151190 /nfs/dbraw/zinc/15/11/90/662151190.db2.gz WYGPUXVFAHJPDK-KBPBESRZSA-N 2 2 386.506 2.627 20 0 GFADLP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000866594738 662482890 /nfs/dbraw/zinc/48/28/90/662482890.db2.gz MGZDSVRRALAYLO-HUUCEWRRSA-N 2 2 381.314 2.596 20 0 GFADLP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866609582 662483960 /nfs/dbraw/zinc/48/39/60/662483960.db2.gz HUMXJIGMZYHLCU-KANFNMMFSA-N 2 2 377.326 2.930 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873085 662704169 /nfs/dbraw/zinc/70/41/69/662704169.db2.gz YIKKDMCDQVVJCI-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Br)c1 ZINC000870873085 662704171 /nfs/dbraw/zinc/70/41/71/662704171.db2.gz YIKKDMCDQVVJCI-MRXNPFEDSA-N 2 2 394.338 2.685 20 0 GFADLP C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151575 662890922 /nfs/dbraw/zinc/89/09/22/662890922.db2.gz XUFXWKKUIFVVSP-HZPDHXFCSA-N 2 2 394.313 2.924 20 0 GFADLP C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151575 662890924 /nfs/dbraw/zinc/89/09/24/662890924.db2.gz XUFXWKKUIFVVSP-HZPDHXFCSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151575 662890925 /nfs/dbraw/zinc/89/09/25/662890925.db2.gz XUFXWKKUIFVVSP-HZPDHXFCSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151575 662890926 /nfs/dbraw/zinc/89/09/26/662890926.db2.gz XUFXWKKUIFVVSP-HZPDHXFCSA-N 2 2 394.313 2.924 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570685 662929753 /nfs/dbraw/zinc/92/97/53/662929753.db2.gz DOUSKAXFZYEFHS-HFTRVMKXSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570685 662929755 /nfs/dbraw/zinc/92/97/55/662929755.db2.gz DOUSKAXFZYEFHS-HFTRVMKXSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570685 662929757 /nfs/dbraw/zinc/92/97/57/662929757.db2.gz DOUSKAXFZYEFHS-HFTRVMKXSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570685 662929758 /nfs/dbraw/zinc/92/97/58/662929758.db2.gz DOUSKAXFZYEFHS-HFTRVMKXSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000894094116 663442222 /nfs/dbraw/zinc/44/22/22/663442222.db2.gz JHPDQVUUNDLXQG-ZIAGYGMSSA-N 2 2 381.933 2.913 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000894094116 663442224 /nfs/dbraw/zinc/44/22/24/663442224.db2.gz JHPDQVUUNDLXQG-ZIAGYGMSSA-N 2 2 381.933 2.913 20 0 GFADLP O[C@@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931284008 664790543 /nfs/dbraw/zinc/79/05/43/664790543.db2.gz KVBNQKHFHARQEA-SFHVURJKSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931284008 664790545 /nfs/dbraw/zinc/79/05/45/664790545.db2.gz KVBNQKHFHARQEA-SFHVURJKSA-N 2 2 383.330 2.669 20 0 GFADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000931430970 664794730 /nfs/dbraw/zinc/79/47/30/664794730.db2.gz TYOWCRBPFUPNJI-OLZOCXBDSA-N 2 2 377.286 2.883 20 0 GFADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000931430970 664794731 /nfs/dbraw/zinc/79/47/31/664794731.db2.gz TYOWCRBPFUPNJI-OLZOCXBDSA-N 2 2 377.286 2.883 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000931430970 664794732 /nfs/dbraw/zinc/79/47/32/664794732.db2.gz TYOWCRBPFUPNJI-OLZOCXBDSA-N 2 2 377.286 2.883 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C[C@@H]2C1 ZINC000931430970 664794733 /nfs/dbraw/zinc/79/47/33/664794733.db2.gz TYOWCRBPFUPNJI-OLZOCXBDSA-N 2 2 377.286 2.883 20 0 GFADLP CCCc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001164833023 720328071 /nfs/dbraw/zinc/32/80/71/720328071.db2.gz VVSYZGPZYWHEBS-VQTJNVASSA-N 2 2 385.556 2.649 20 0 GFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740028 720833654 /nfs/dbraw/zinc/83/36/54/720833654.db2.gz BOYGIKYPRYLGFE-PWRODBHTSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740028 720833658 /nfs/dbraw/zinc/83/36/58/720833658.db2.gz BOYGIKYPRYLGFE-PWRODBHTSA-N 2 2 378.524 2.930 20 0 GFADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2c([nH+]1)CCC2 ZINC001164963375 722058665 /nfs/dbraw/zinc/05/86/65/722058665.db2.gz XQTNHKCFGSEZDQ-UHFFFAOYSA-N 2 2 393.535 2.788 20 0 GFADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c2c([nH+]1)CCC2 ZINC001164963375 722058667 /nfs/dbraw/zinc/05/86/67/722058667.db2.gz XQTNHKCFGSEZDQ-UHFFFAOYSA-N 2 2 393.535 2.788 20 0 GFADLP CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625129 563654879 /nfs/dbraw/zinc/65/48/79/563654879.db2.gz KTNFPCZXBORHKI-HNNXBMFYSA-N 2 2 389.359 2.687 20 0 GFADLP CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625129 563654882 /nfs/dbraw/zinc/65/48/82/563654882.db2.gz KTNFPCZXBORHKI-HNNXBMFYSA-N 2 2 389.359 2.687 20 0 GFADLP Clc1ccc(CC[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)cc1Cl ZINC000153228813 551449101 /nfs/dbraw/zinc/44/91/01/551449101.db2.gz RVFGCKCBQWHMQB-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000153517984 551454345 /nfs/dbraw/zinc/45/43/45/551454345.db2.gz HIUOUZRKKOKTJH-CRAIPNDOSA-N 2 2 383.330 2.527 20 0 GFADLP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000153517984 551454351 /nfs/dbraw/zinc/45/43/51/551454351.db2.gz HIUOUZRKKOKTJH-CRAIPNDOSA-N 2 2 383.330 2.527 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154270401 551471009 /nfs/dbraw/zinc/47/10/09/551471009.db2.gz UCHQHMKTQWSRAT-SUMWQHHRSA-N 2 2 381.314 2.882 20 0 GFADLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000179203918 552186837 /nfs/dbraw/zinc/18/68/37/552186837.db2.gz VRBZFMMNFZCGPY-ZDUSSCGKSA-N 2 2 375.380 2.974 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000181063328 552244993 /nfs/dbraw/zinc/24/49/93/552244993.db2.gz SECAZFAIAFAPBD-UHFFFAOYSA-N 2 2 387.615 2.692 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000181063328 552244996 /nfs/dbraw/zinc/24/49/96/552244996.db2.gz SECAZFAIAFAPBD-UHFFFAOYSA-N 2 2 387.615 2.692 20 0 GFADLP Cc1ccc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000185624670 552367418 /nfs/dbraw/zinc/36/74/18/552367418.db2.gz WXZIUHRCJWVBJK-UHFFFAOYSA-N 2 2 396.373 2.832 20 0 GFADLP CSCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000237337226 553077307 /nfs/dbraw/zinc/07/73/07/553077307.db2.gz PDFKFEXCYHUHEJ-AWEZNQCLSA-N 2 2 376.551 2.720 20 0 GFADLP CSCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000237337226 553077308 /nfs/dbraw/zinc/07/73/08/553077308.db2.gz PDFKFEXCYHUHEJ-AWEZNQCLSA-N 2 2 376.551 2.720 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466749 553091034 /nfs/dbraw/zinc/09/10/34/553091034.db2.gz ZENFCBRHLGVAND-HUUCEWRRSA-N 2 2 382.346 2.900 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466749 553091035 /nfs/dbraw/zinc/09/10/35/553091035.db2.gz ZENFCBRHLGVAND-HUUCEWRRSA-N 2 2 382.346 2.900 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466749 553091037 /nfs/dbraw/zinc/09/10/37/553091037.db2.gz ZENFCBRHLGVAND-HUUCEWRRSA-N 2 2 382.346 2.900 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466749 553091039 /nfs/dbraw/zinc/09/10/39/553091039.db2.gz ZENFCBRHLGVAND-HUUCEWRRSA-N 2 2 382.346 2.900 20 0 GFADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000246096096 553102392 /nfs/dbraw/zinc/10/23/92/553102392.db2.gz LTGCFPIGOQHAPS-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000246096096 553102393 /nfs/dbraw/zinc/10/23/93/553102393.db2.gz LTGCFPIGOQHAPS-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261661573 553155678 /nfs/dbraw/zinc/15/56/78/553155678.db2.gz FFSNZEKUBUUCOL-GOSISDBHSA-N 2 2 380.330 2.710 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042071 564354480 /nfs/dbraw/zinc/35/44/80/564354480.db2.gz AQIOMVIKKZHMRY-WBMJQRKESA-N 2 2 386.277 2.742 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(I)cc1 ZINC000453261107 564450918 /nfs/dbraw/zinc/45/09/18/564450918.db2.gz JWDOECDPYGWSFN-CZUORRHYSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(I)cc1 ZINC000453261107 564450924 /nfs/dbraw/zinc/45/09/24/564450924.db2.gz JWDOECDPYGWSFN-CZUORRHYSA-N 2 2 388.293 2.789 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1F ZINC000277565896 563213937 /nfs/dbraw/zinc/21/39/37/563213937.db2.gz WTKQEWHZMNIAPV-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1F ZINC000277565896 563213941 /nfs/dbraw/zinc/21/39/41/563213941.db2.gz WTKQEWHZMNIAPV-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370573703 563248481 /nfs/dbraw/zinc/24/84/81/563248481.db2.gz JKABPZPAKLOGGV-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370573703 563248482 /nfs/dbraw/zinc/24/84/82/563248482.db2.gz JKABPZPAKLOGGV-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP CN(C(=O)Cc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831922 563257673 /nfs/dbraw/zinc/25/76/73/563257673.db2.gz WOTFGBHMWWAORZ-SFHVURJKSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1ccc(Br)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831922 563257675 /nfs/dbraw/zinc/25/76/75/563257675.db2.gz WOTFGBHMWWAORZ-SFHVURJKSA-N 2 2 394.357 2.619 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1Br ZINC000279181025 563286537 /nfs/dbraw/zinc/28/65/37/563286537.db2.gz RYOONRJNOURCQN-UHFFFAOYSA-N 2 2 375.274 2.670 20 0 GFADLP COc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948578 563351877 /nfs/dbraw/zinc/35/18/77/563351877.db2.gz SNKITSVVSGFMEA-VNQPRFMTSA-N 2 2 399.329 2.713 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1I ZINC000423091429 563354811 /nfs/dbraw/zinc/35/48/11/563354811.db2.gz XCBFILSLRKSACV-GWCFXTLKSA-N 2 2 394.684 2.801 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374266885 563366835 /nfs/dbraw/zinc/36/68/35/563366835.db2.gz AMMKVFIYGQTHTP-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374266885 563366838 /nfs/dbraw/zinc/36/68/38/563366838.db2.gz AMMKVFIYGQTHTP-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP O=C(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)Nc1cccc(Br)c1 ZINC000425897846 563439992 /nfs/dbraw/zinc/43/99/92/563439992.db2.gz WLCUUEQIITXDJQ-UHFFFAOYSA-N 2 2 393.285 2.632 20 0 GFADLP Fc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(Cl)c1Cl ZINC000377390745 563472924 /nfs/dbraw/zinc/47/29/24/563472924.db2.gz KJHUNGKPAUTAIO-CQSZACIVSA-N 2 2 376.303 2.629 20 0 GFADLP CN(Cc1cc(O)ccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377617138 563480996 /nfs/dbraw/zinc/48/09/96/563480996.db2.gz ADMYGPQXFDLTGV-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP CN(Cc1cc(O)ccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377617138 563480998 /nfs/dbraw/zinc/48/09/98/563480998.db2.gz ADMYGPQXFDLTGV-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000428248484 563486476 /nfs/dbraw/zinc/48/64/76/563486476.db2.gz LTFHFLWFUIWIRS-CQSZACIVSA-N 2 2 391.313 2.653 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793903 563487302 /nfs/dbraw/zinc/48/73/02/563487302.db2.gz IZWVYSUMZXPFKS-HSWBROFVSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793903 563487305 /nfs/dbraw/zinc/48/73/05/563487305.db2.gz IZWVYSUMZXPFKS-HSWBROFVSA-N 2 2 398.370 2.809 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550485 563544946 /nfs/dbraw/zinc/54/49/46/563544946.db2.gz GLMDDCCZDCZRSB-JSGCOSHPSA-N 2 2 379.302 2.982 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550485 563544948 /nfs/dbraw/zinc/54/49/48/563544948.db2.gz GLMDDCCZDCZRSB-JSGCOSHPSA-N 2 2 379.302 2.982 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000411662351 563628079 /nfs/dbraw/zinc/62/80/79/563628079.db2.gz NMILULBNOMJAKL-INIZCTEOSA-N 2 2 388.339 2.605 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1ncc(Br)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436318 563650854 /nfs/dbraw/zinc/65/08/54/563650854.db2.gz FGBKYYGJTVRXOD-GFCCVEGCSA-N 2 2 396.358 2.783 20 0 GFADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409262 563707270 /nfs/dbraw/zinc/70/72/70/563707270.db2.gz ZPEHDQVHIJVLFK-KRWDZBQOSA-N 2 2 385.961 2.567 20 0 GFADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000362409262 563707271 /nfs/dbraw/zinc/70/72/71/563707271.db2.gz ZPEHDQVHIJVLFK-KRWDZBQOSA-N 2 2 385.961 2.567 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468892 563754221 /nfs/dbraw/zinc/75/42/21/563754221.db2.gz UOUGWIAOFIYCDS-JMSVASOKSA-N 2 2 379.555 2.735 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@H](C)C2)s1 ZINC000364468892 563754223 /nfs/dbraw/zinc/75/42/23/563754223.db2.gz UOUGWIAOFIYCDS-JMSVASOKSA-N 2 2 379.555 2.735 20 0 GFADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000415066450 563757688 /nfs/dbraw/zinc/75/76/88/563757688.db2.gz IQYZPCFZMHIHNK-KRWDZBQOSA-N 2 2 379.298 2.780 20 0 GFADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000415066450 563757692 /nfs/dbraw/zinc/75/76/92/563757692.db2.gz IQYZPCFZMHIHNK-KRWDZBQOSA-N 2 2 379.298 2.780 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128488 563760149 /nfs/dbraw/zinc/76/01/49/563760149.db2.gz OBPGKRRBEZKYSN-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128488 563760153 /nfs/dbraw/zinc/76/01/53/563760153.db2.gz OBPGKRRBEZKYSN-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP C[C@@H](CNc1cc[nH+]c2c(Br)ccc(F)c12)N1CC[NH+](C)CC1 ZINC000443524911 563808150 /nfs/dbraw/zinc/80/81/50/563808150.db2.gz WNLUWMUKZJAMDX-LBPRGKRZSA-N 2 2 381.293 2.606 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272547 563891117 /nfs/dbraw/zinc/89/11/17/563891117.db2.gz BWDTYLBRPMUZBD-CYBMUJFWSA-N 2 2 376.551 2.770 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272547 563891122 /nfs/dbraw/zinc/89/11/22/563891122.db2.gz BWDTYLBRPMUZBD-CYBMUJFWSA-N 2 2 376.551 2.770 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449390420 564184965 /nfs/dbraw/zinc/18/49/65/564184965.db2.gz WATFZBXNBIRKTF-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449390420 564184967 /nfs/dbraw/zinc/18/49/67/564184967.db2.gz WATFZBXNBIRKTF-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558510 564193213 /nfs/dbraw/zinc/19/32/13/564193213.db2.gz DONUIAMNOYNKHE-XJKSGUPXSA-N 2 2 393.333 2.682 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000563754372 564205825 /nfs/dbraw/zinc/20/58/25/564205825.db2.gz HJHGUQLQDYHZQR-UHFFFAOYSA-N 2 2 375.460 2.753 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085516 564208597 /nfs/dbraw/zinc/20/85/97/564208597.db2.gz XJXLOFZYFNZTHH-GUYCJALGSA-N 2 2 386.323 2.577 20 0 GFADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000472175664 564214783 /nfs/dbraw/zinc/21/47/83/564214783.db2.gz SDNIGUCAXJSLRH-CYBMUJFWSA-N 2 2 396.333 2.935 20 0 GFADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450371662 564229935 /nfs/dbraw/zinc/22/99/35/564229935.db2.gz JIWQAMLAQVPZCD-UHFFFAOYSA-N 2 2 395.276 2.522 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564443 564239435 /nfs/dbraw/zinc/23/94/35/564239435.db2.gz PAOKGRSKRNJGCC-GOEBONIOSA-N 2 2 394.313 2.861 20 0 GFADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nc(C)cs1 ZINC000542555804 564318116 /nfs/dbraw/zinc/31/81/16/564318116.db2.gz GJCNJLWLCGMZNF-INIZCTEOSA-N 2 2 378.567 2.898 20 0 GFADLP CC[N@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000542771226 564325478 /nfs/dbraw/zinc/32/54/78/564325478.db2.gz ZVGWAIZNKSNRTN-UHFFFAOYSA-N 2 2 396.333 2.935 20 0 GFADLP CC[N@@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000542771226 564325482 /nfs/dbraw/zinc/32/54/82/564325482.db2.gz ZVGWAIZNKSNRTN-UHFFFAOYSA-N 2 2 396.333 2.935 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042071 564354477 /nfs/dbraw/zinc/35/44/77/564354477.db2.gz AQIOMVIKKZHMRY-WBMJQRKESA-N 2 2 386.277 2.742 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000511996077 564388664 /nfs/dbraw/zinc/38/86/64/564388664.db2.gz FPLHHHBULCHKEQ-QZTJIDSGSA-N 2 2 383.330 2.925 20 0 GFADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232696 564465122 /nfs/dbraw/zinc/46/51/22/564465122.db2.gz PBUCWLDJNJDBNC-HNNXBMFYSA-N 2 2 389.359 2.988 20 0 GFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480232696 564465123 /nfs/dbraw/zinc/46/51/23/564465123.db2.gz PBUCWLDJNJDBNC-HNNXBMFYSA-N 2 2 389.359 2.988 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083077 564493026 /nfs/dbraw/zinc/49/30/26/564493026.db2.gz LKFUGCXTQBNFQX-HIFRSBDPSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083077 564493029 /nfs/dbraw/zinc/49/30/29/564493029.db2.gz LKFUGCXTQBNFQX-HIFRSBDPSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3Br)c[nH+]2)C[C@@H](C)O1 ZINC000547825844 564512382 /nfs/dbraw/zinc/51/23/82/564512382.db2.gz ZNFYSJNQIXRKGD-CHWSQXEVSA-N 2 2 377.286 2.887 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000481734373 564521488 /nfs/dbraw/zinc/52/14/88/564521488.db2.gz WFZPKCZBTQEQET-RNCFNFMXSA-N 2 2 394.684 2.993 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000481734373 564521493 /nfs/dbraw/zinc/52/14/93/564521493.db2.gz WFZPKCZBTQEQET-RNCFNFMXSA-N 2 2 394.684 2.993 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]CCC[NH+]2CCCCC2)nn1 ZINC000570889405 564526357 /nfs/dbraw/zinc/52/63/57/564526357.db2.gz OUYHGDRXOXMERH-UHFFFAOYSA-N 2 2 378.318 2.995 20 0 GFADLP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000517567456 564536701 /nfs/dbraw/zinc/53/67/01/564536701.db2.gz PHCDRZQMRHNLMA-KRWDZBQOSA-N 2 2 385.339 2.692 20 0 GFADLP O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000517567456 564536703 /nfs/dbraw/zinc/53/67/03/564536703.db2.gz PHCDRZQMRHNLMA-KRWDZBQOSA-N 2 2 385.339 2.692 20 0 GFADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cn1 ZINC000518276271 564549619 /nfs/dbraw/zinc/54/96/19/564549619.db2.gz BRQMJXFENVDTRI-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963761 564566812 /nfs/dbraw/zinc/56/68/12/564566812.db2.gz OHRHMGGTZNJJSQ-DJIMGWMZSA-N 2 2 387.293 2.544 20 0 GFADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963761 564566814 /nfs/dbraw/zinc/56/68/14/564566814.db2.gz OHRHMGGTZNJJSQ-DJIMGWMZSA-N 2 2 387.293 2.544 20 0 GFADLP CS[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407851 564567048 /nfs/dbraw/zinc/56/70/48/564567048.db2.gz RYYXWFMPMNYMGJ-RCCFBDPRSA-N 2 2 381.973 2.981 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000571880950 564570923 /nfs/dbraw/zinc/57/09/23/564570923.db2.gz RJBYUMSRRUNSTL-KRWDZBQOSA-N 2 2 392.341 2.941 20 0 GFADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(I)c2)C[C@@H](C)O1 ZINC000551219936 564642840 /nfs/dbraw/zinc/64/28/40/564642840.db2.gz BBJPEEHZFHKLSB-ZIAGYGMSSA-N 2 2 388.293 2.880 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCNc1cccc[nH+]1 ZINC000551264943 564644563 /nfs/dbraw/zinc/64/45/63/564644563.db2.gz GVHSZHADNNVPNB-AWEZNQCLSA-N 2 2 379.302 2.876 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000573648280 564647972 /nfs/dbraw/zinc/64/79/72/564647972.db2.gz WTRFLCAIVATQLK-GOSISDBHSA-N 2 2 387.977 2.738 20 0 GFADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000574038720 564665611 /nfs/dbraw/zinc/66/56/11/564665611.db2.gz MGFIAPPIHFMVHH-XOKHGSTOSA-N 2 2 380.330 2.700 20 0 GFADLP CC(C)(C)NS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000552576137 564696087 /nfs/dbraw/zinc/69/60/87/564696087.db2.gz OXLBUZBKBSJMHL-UHFFFAOYSA-N 2 2 387.977 2.612 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000552689991 564697368 /nfs/dbraw/zinc/69/73/68/564697368.db2.gz RDOWQDMASHWKNX-INIZCTEOSA-N 2 2 381.973 2.730 20 0 GFADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3Br)cn2)CC1 ZINC000459366310 564741682 /nfs/dbraw/zinc/74/16/82/564741682.db2.gz MQJCKPRXPKETJK-UHFFFAOYSA-N 2 2 391.313 2.591 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000459503417 564747850 /nfs/dbraw/zinc/74/78/50/564747850.db2.gz FKOULZQBQOQMTI-UHFFFAOYSA-N 2 2 376.444 2.825 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000459644921 564754842 /nfs/dbraw/zinc/75/48/42/564754842.db2.gz PXKVQJNPXCZCFN-UHFFFAOYSA-N 2 2 383.330 2.999 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000527694111 564756376 /nfs/dbraw/zinc/75/63/76/564756376.db2.gz UWUJGGDHNFWXIO-CQSZACIVSA-N 2 2 392.135 2.676 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000527694111 564756378 /nfs/dbraw/zinc/75/63/78/564756378.db2.gz UWUJGGDHNFWXIO-CQSZACIVSA-N 2 2 392.135 2.676 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000581714242 564815696 /nfs/dbraw/zinc/81/56/96/564815696.db2.gz PAPUXWIRUSGHMK-MRVPVSSYSA-N 2 2 396.116 2.863 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000581714242 564815700 /nfs/dbraw/zinc/81/57/00/564815700.db2.gz PAPUXWIRUSGHMK-MRVPVSSYSA-N 2 2 396.116 2.863 20 0 GFADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)c(F)c1 ZINC000494242216 564820280 /nfs/dbraw/zinc/82/02/80/564820280.db2.gz QUPSFOTYGPXXAJ-UHFFFAOYSA-N 2 2 398.320 2.763 20 0 GFADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)c(F)c1 ZINC000494242216 564820282 /nfs/dbraw/zinc/82/02/82/564820282.db2.gz QUPSFOTYGPXXAJ-UHFFFAOYSA-N 2 2 398.320 2.763 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000584260981 564927583 /nfs/dbraw/zinc/92/75/83/564927583.db2.gz GDSCTHOTBWYMAO-OKILXGFUSA-N 2 2 381.318 2.686 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000584260981 564927586 /nfs/dbraw/zinc/92/75/86/564927586.db2.gz GDSCTHOTBWYMAO-OKILXGFUSA-N 2 2 381.318 2.686 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000536223721 565032008 /nfs/dbraw/zinc/03/20/08/565032008.db2.gz CUNHUOQBTJGFGA-UHFFFAOYSA-N 2 2 387.355 2.861 20 0 GFADLP Cc1cc(N2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)ccc1Br ZINC000657434714 565101530 /nfs/dbraw/zinc/10/15/30/565101530.db2.gz CBUFOOACTFNMIZ-MRXNPFEDSA-N 2 2 389.297 2.795 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838927 565125698 /nfs/dbraw/zinc/12/56/98/565125698.db2.gz QPHFISFZGRYSDW-IXDOHACOSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838927 565125701 /nfs/dbraw/zinc/12/57/01/565125701.db2.gz QPHFISFZGRYSDW-IXDOHACOSA-N 2 2 393.329 2.780 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720897 565208300 /nfs/dbraw/zinc/20/83/00/565208300.db2.gz LASFBOFDWMSQGT-HOCLYGCPSA-N 2 2 379.551 2.538 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000638720897 565208304 /nfs/dbraw/zinc/20/83/04/565208304.db2.gz LASFBOFDWMSQGT-HOCLYGCPSA-N 2 2 379.551 2.538 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000659287275 565210827 /nfs/dbraw/zinc/21/08/27/565210827.db2.gz YJYBJGJGICAGRY-DOTOQJQBSA-N 2 2 388.339 2.727 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H]3CCCC(=O)N3)[nH+]c12 ZINC000639060572 565223068 /nfs/dbraw/zinc/22/30/68/565223068.db2.gz NLTXZULIICJDFH-HIFRSBDPSA-N 2 2 393.329 2.985 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591459043 565231067 /nfs/dbraw/zinc/23/10/67/565231067.db2.gz YKBNCPCYINEBNY-WMZOPIPTSA-N 2 2 394.357 2.996 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591459043 565231072 /nfs/dbraw/zinc/23/10/72/565231072.db2.gz YKBNCPCYINEBNY-WMZOPIPTSA-N 2 2 394.357 2.996 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591459040 565231171 /nfs/dbraw/zinc/23/11/71/565231171.db2.gz YKBNCPCYINEBNY-AEFFLSMTSA-N 2 2 394.357 2.996 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591459040 565231175 /nfs/dbraw/zinc/23/11/75/565231175.db2.gz YKBNCPCYINEBNY-AEFFLSMTSA-N 2 2 394.357 2.996 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706220 565255437 /nfs/dbraw/zinc/25/54/37/565255437.db2.gz WVKZPOJMKWIJDQ-KRWDZBQOSA-N 2 2 389.297 2.583 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1cccc(Br)c1 ZINC000617765813 565258024 /nfs/dbraw/zinc/25/80/24/565258024.db2.gz RBNCRJSAKSIFOZ-UHFFFAOYSA-N 2 2 388.375 2.541 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1cccc(Br)c1 ZINC000617765813 565258032 /nfs/dbraw/zinc/25/80/32/565258032.db2.gz RBNCRJSAKSIFOZ-UHFFFAOYSA-N 2 2 388.375 2.541 20 0 GFADLP C[NH+]1CCO[C@H](CSC[C@@H](CSC[C@H]2C[N@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359289 565270875 /nfs/dbraw/zinc/27/08/75/565270875.db2.gz RRWRNSJZJRUHCF-NNZMDNLPSA-N 2 2 390.659 2.776 20 0 GFADLP C[NH+]1CCO[C@H](CSC[C@@H](CSC[C@H]2C[N@@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359289 565270880 /nfs/dbraw/zinc/27/08/80/565270880.db2.gz RRWRNSJZJRUHCF-NNZMDNLPSA-N 2 2 390.659 2.776 20 0 GFADLP C[NH+]1CCO[C@@H](CSC[C@H](CSC[C@@H]2C[N@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359289 565270886 /nfs/dbraw/zinc/27/08/86/565270886.db2.gz RRWRNSJZJRUHCF-NNZMDNLPSA-N 2 2 390.659 2.776 20 0 GFADLP C[NH+]1CCO[C@@H](CSC[C@H](CSC[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C)C1 ZINC000592359289 565270890 /nfs/dbraw/zinc/27/08/90/565270890.db2.gz RRWRNSJZJRUHCF-NNZMDNLPSA-N 2 2 390.659 2.776 20 0 GFADLP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Br)cn1 ZINC000621260874 565413250 /nfs/dbraw/zinc/41/32/50/565413250.db2.gz VAPDLSFSLOQMFY-UHFFFAOYSA-N 2 2 398.345 2.930 20 0 GFADLP Ic1ccc2c(c1)[C@@H]([NH2+]CC13CC(C1)C[NH2+]3)CCCO2 ZINC000596655060 565532008 /nfs/dbraw/zinc/53/20/08/565532008.db2.gz SMYXDBBFIIYDAA-WMEQCIOUSA-N 2 2 384.261 2.847 20 0 GFADLP Cc1c(Br)ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1F ZINC000666938135 565563260 /nfs/dbraw/zinc/56/32/60/565563260.db2.gz ONVWLXJVXSTSQO-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1c(Br)ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1F ZINC000666938135 565563264 /nfs/dbraw/zinc/56/32/64/565563264.db2.gz ONVWLXJVXSTSQO-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521195 565635137 /nfs/dbraw/zinc/63/51/37/565635137.db2.gz ZDNGEBFJFYHNIY-LBPRGKRZSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521195 565635140 /nfs/dbraw/zinc/63/51/40/565635140.db2.gz ZDNGEBFJFYHNIY-LBPRGKRZSA-N 2 2 378.929 2.848 20 0 GFADLP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553580 565639079 /nfs/dbraw/zinc/63/90/79/565639079.db2.gz UCKPYCTVBYSXQR-HNNXBMFYSA-N 2 2 389.323 2.530 20 0 GFADLP CCC[N@H+](C)[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764473 565785486 /nfs/dbraw/zinc/78/54/86/565785486.db2.gz MYPCUAQWPBVPGV-SFHVURJKSA-N 2 2 387.977 2.737 20 0 GFADLP CCC[N@@H+](C)[C@@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764473 565785487 /nfs/dbraw/zinc/78/54/87/565785487.db2.gz MYPCUAQWPBVPGV-SFHVURJKSA-N 2 2 387.977 2.737 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1Br ZINC000675886604 565920113 /nfs/dbraw/zinc/92/01/13/565920113.db2.gz SQIUGHWRDYLMMS-KBPBESRZSA-N 2 2 388.375 2.568 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000653095192 565955336 /nfs/dbraw/zinc/95/53/36/565955336.db2.gz CVPRGSDUJGPKDR-KRWDZBQOSA-N 2 2 388.339 2.890 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622875 565975186 /nfs/dbraw/zinc/97/51/86/565975186.db2.gz ZFQIHHCQDJJFIY-IRXDYDNUSA-N 2 2 389.309 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000653622875 565975190 /nfs/dbraw/zinc/97/51/90/565975190.db2.gz ZFQIHHCQDJJFIY-IRXDYDNUSA-N 2 2 389.309 2.568 20 0 GFADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000677654643 565980230 /nfs/dbraw/zinc/98/02/30/565980230.db2.gz XVZNYYJTHFVDGA-AEFFLSMTSA-N 2 2 384.351 2.977 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000821589670 606424156 /nfs/dbraw/zinc/42/41/56/606424156.db2.gz YHTPLCQPQDXMDI-UHFFFAOYSA-N 2 2 383.525 2.753 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826169517 608358490 /nfs/dbraw/zinc/35/84/90/608358490.db2.gz VXRSCKMJIXGJSE-KRWDZBQOSA-N 2 2 384.528 2.963 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000826169517 608358492 /nfs/dbraw/zinc/35/84/92/608358492.db2.gz VXRSCKMJIXGJSE-KRWDZBQOSA-N 2 2 384.528 2.963 20 0 GFADLP CCc1ccc(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)o1 ZINC000825712407 608654391 /nfs/dbraw/zinc/65/43/91/608654391.db2.gz QUWCHYMLSNBBNQ-UHFFFAOYSA-N 2 2 389.463 2.893 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655892 609251436 /nfs/dbraw/zinc/25/14/36/609251436.db2.gz GRDRTCIGWJWUPJ-RDTXWAMCSA-N 2 2 378.484 2.575 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594221 609336364 /nfs/dbraw/zinc/33/63/64/609336364.db2.gz JFOPYYLWNIQMMP-CLCXKQKWSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594221 609336366 /nfs/dbraw/zinc/33/63/66/609336366.db2.gz JFOPYYLWNIQMMP-CLCXKQKWSA-N 2 2 390.507 2.793 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000823755127 660379397 /nfs/dbraw/zinc/37/93/97/660379397.db2.gz BZCHOPBICOPSKD-UHFFFAOYSA-N 2 2 379.452 2.699 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC000823755127 660379398 /nfs/dbraw/zinc/37/93/98/660379398.db2.gz BZCHOPBICOPSKD-UHFFFAOYSA-N 2 2 379.452 2.699 20 0 GFADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc(Br)cs1 ZINC000834512922 660822935 /nfs/dbraw/zinc/82/29/35/660822935.db2.gz BVPFMCZDWDLLKQ-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cccc(Br)c3)CC2)CC1 ZINC000125336629 654791432 /nfs/dbraw/zinc/79/14/32/654791432.db2.gz FVSCOWDUTOLWFP-UHFFFAOYSA-N 2 2 394.357 2.666 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NCCSc1ccccc1 ZINC000066007445 654892835 /nfs/dbraw/zinc/89/28/35/654892835.db2.gz KOHAABYNCPUSNW-UHFFFAOYSA-N 2 2 380.627 2.611 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NCCSc1ccccc1 ZINC000066007445 654892841 /nfs/dbraw/zinc/89/28/41/654892841.db2.gz KOHAABYNCPUSNW-UHFFFAOYSA-N 2 2 380.627 2.611 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000838686405 661054494 /nfs/dbraw/zinc/05/44/94/661054494.db2.gz MAEHAZUSGCOCOX-INIZCTEOSA-N 2 2 379.376 2.628 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000838686405 661054496 /nfs/dbraw/zinc/05/44/96/661054496.db2.gz MAEHAZUSGCOCOX-INIZCTEOSA-N 2 2 379.376 2.628 20 0 GFADLP COc1sc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192298 655509849 /nfs/dbraw/zinc/50/98/49/655509849.db2.gz IQOWXUMTZBYHPZ-LLVKDONJSA-N 2 2 375.332 2.707 20 0 GFADLP COc1sc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Br ZINC000580192298 655509851 /nfs/dbraw/zinc/50/98/51/655509851.db2.gz IQOWXUMTZBYHPZ-LLVKDONJSA-N 2 2 375.332 2.707 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000741875147 655708750 /nfs/dbraw/zinc/70/87/50/655708750.db2.gz MEULEWAFHGMMKK-HNNXBMFYSA-N 2 2 380.989 2.987 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103330 661232746 /nfs/dbraw/zinc/23/27/46/661232746.db2.gz GPPIBFMMOHBQLE-YPMHNXCESA-N 2 2 380.842 2.811 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103328 661233002 /nfs/dbraw/zinc/23/30/02/661233002.db2.gz GPPIBFMMOHBQLE-WCQYABFASA-N 2 2 380.842 2.811 20 0 GFADLP O=C1O[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC12CC2 ZINC000796185267 658898605 /nfs/dbraw/zinc/89/86/05/658898605.db2.gz GXUIYUGEPLSKCH-CQSZACIVSA-N 2 2 394.269 2.837 20 0 GFADLP O=C1O[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC12CC2 ZINC000796185267 658898606 /nfs/dbraw/zinc/89/86/06/658898606.db2.gz GXUIYUGEPLSKCH-CQSZACIVSA-N 2 2 394.269 2.837 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CC2 ZINC000850434015 661775898 /nfs/dbraw/zinc/77/58/98/661775898.db2.gz UAFRRACMFYAHAE-HLLBOEOZSA-N 2 2 398.288 2.731 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CC2 ZINC000850434015 661775900 /nfs/dbraw/zinc/77/59/00/661775900.db2.gz UAFRRACMFYAHAE-HLLBOEOZSA-N 2 2 398.288 2.731 20 0 GFADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123574 662099768 /nfs/dbraw/zinc/09/97/68/662099768.db2.gz DUQUHJCHFBBJNN-MRXNPFEDSA-N 2 2 377.330 2.837 20 0 GFADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(Br)n1 ZINC000858123574 662099770 /nfs/dbraw/zinc/09/97/70/662099770.db2.gz DUQUHJCHFBBJNN-MRXNPFEDSA-N 2 2 377.330 2.837 20 0 GFADLP COC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598205 662483199 /nfs/dbraw/zinc/48/31/99/662483199.db2.gz UIAPOCQDXLFZFA-ZWKOTPCHSA-N 2 2 383.330 2.980 20 0 GFADLP COCCC1([NH2+]Cc2cc(OC)c(OC)cc2Br)CC[NH2+]CC1 ZINC000873225223 662804188 /nfs/dbraw/zinc/80/41/88/662804188.db2.gz UYDLYSNXTKSVOK-UHFFFAOYSA-N 2 2 387.318 2.715 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3nc(Cl)cs3)c2)C1 ZINC000877026446 662869811 /nfs/dbraw/zinc/86/98/11/662869811.db2.gz CYDNNWWBMXIGLZ-OAHLLOKOSA-N 2 2 378.929 2.784 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3nc(Cl)cs3)c2)C1 ZINC000877026446 662869813 /nfs/dbraw/zinc/86/98/13/662869813.db2.gz CYDNNWWBMXIGLZ-OAHLLOKOSA-N 2 2 378.929 2.784 20 0 GFADLP C[C@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000894094115 663442281 /nfs/dbraw/zinc/44/22/81/663442281.db2.gz JHPDQVUUNDLXQG-UONOGXRCSA-N 2 2 381.933 2.913 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000894094115 663442285 /nfs/dbraw/zinc/44/22/85/663442285.db2.gz JHPDQVUUNDLXQG-UONOGXRCSA-N 2 2 381.933 2.913 20 0 GFADLP Brc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727139 663805320 /nfs/dbraw/zinc/80/53/20/663805320.db2.gz QWCDBTHBPNVFON-OKZBNKHCSA-N 2 2 381.314 2.591 20 0 GFADLP Brc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727139 663805322 /nfs/dbraw/zinc/80/53/22/663805322.db2.gz QWCDBTHBPNVFON-OKZBNKHCSA-N 2 2 381.314 2.591 20 0 GFADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501650 664631455 /nfs/dbraw/zinc/63/14/55/664631455.db2.gz RTSYAXUYXZVWML-UKRRQHHQSA-N 2 2 379.551 2.630 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@@H]1C[NH3+] ZINC000923501650 664631457 /nfs/dbraw/zinc/63/14/57/664631457.db2.gz RTSYAXUYXZVWML-UKRRQHHQSA-N 2 2 379.551 2.630 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000926074582 664680842 /nfs/dbraw/zinc/68/08/42/664680842.db2.gz MOMOOQZQPUBBML-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811626 720112475 /nfs/dbraw/zinc/11/24/75/720112475.db2.gz NAGYNQAAFVGYAV-GCJKJVERSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811626 720112479 /nfs/dbraw/zinc/11/24/79/720112479.db2.gz NAGYNQAAFVGYAV-GCJKJVERSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)C2 ZINC001164815621 720186046 /nfs/dbraw/zinc/18/60/46/720186046.db2.gz IPOXIRDOAKTCNP-GREBRCKQSA-N 2 2 399.583 2.898 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)C2 ZINC001164815621 720186047 /nfs/dbraw/zinc/18/60/47/720186047.db2.gz IPOXIRDOAKTCNP-GREBRCKQSA-N 2 2 399.583 2.898 20 0 GFADLP CN(C)C1=[NH+]OC2(C1)CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)CC2 ZINC001164878458 721325811 /nfs/dbraw/zinc/32/58/11/721325811.db2.gz OJHKKKSNTXKXMK-UHFFFAOYSA-N 2 2 377.920 2.965 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164794510 721523364 /nfs/dbraw/zinc/52/33/64/721523364.db2.gz FEEUHHXHYNELKA-DYXWJJEUSA-N 2 2 396.539 2.504 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164794510 721523368 /nfs/dbraw/zinc/52/33/68/721523368.db2.gz FEEUHHXHYNELKA-DYXWJJEUSA-N 2 2 396.539 2.504 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164808812 721567226 /nfs/dbraw/zinc/56/72/26/721567226.db2.gz VSCTZYSBFGCLEP-XQBPLPMBSA-N 2 2 396.539 2.586 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164808812 721567228 /nfs/dbraw/zinc/56/72/28/721567228.db2.gz VSCTZYSBFGCLEP-XQBPLPMBSA-N 2 2 396.539 2.586 20 0 GFADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C)c(C)[nH+]1 ZINC001164963314 722060870 /nfs/dbraw/zinc/06/08/70/722060870.db2.gz WNVKQMZLTLOEDX-UHFFFAOYSA-N 2 2 381.524 2.916 20 0 GFADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)c(C)[nH+]1 ZINC001164963314 722060871 /nfs/dbraw/zinc/06/08/71/722060871.db2.gz WNVKQMZLTLOEDX-UHFFFAOYSA-N 2 2 381.524 2.916 20 0 GFADLP Cc1cccc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001165001620 722238683 /nfs/dbraw/zinc/23/86/83/722238683.db2.gz KNMUJTGZKLYPFF-UHFFFAOYSA-N 2 2 388.519 2.690 20 0 GFADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000153308070 551449889 /nfs/dbraw/zinc/44/98/89/551449889.db2.gz RXSANJROWLXRKP-CABCVRRESA-N 2 2 398.345 2.724 20 0 GFADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000156339408 551520662 /nfs/dbraw/zinc/52/06/62/551520662.db2.gz JAXGPLIBYPTHLM-INIZCTEOSA-N 2 2 376.254 2.936 20 0 GFADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000156339408 551520663 /nfs/dbraw/zinc/52/06/63/551520663.db2.gz JAXGPLIBYPTHLM-INIZCTEOSA-N 2 2 376.254 2.936 20 0 GFADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000168962023 551634973 /nfs/dbraw/zinc/63/49/73/551634973.db2.gz ZXWVWZMSFMRLDA-LJQANCHMSA-N 2 2 398.389 2.880 20 0 GFADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179214755 552187575 /nfs/dbraw/zinc/18/75/75/552187575.db2.gz VUWMCGIJVUCBLV-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180129168 552214298 /nfs/dbraw/zinc/21/42/98/552214298.db2.gz YISIQWJXISNSTH-KRWDZBQOSA-N 2 2 388.339 2.559 20 0 GFADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193110958 552983720 /nfs/dbraw/zinc/98/37/20/552983720.db2.gz FVGXZIZYEVYJCM-UHFFFAOYSA-N 2 2 399.969 2.627 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466748 553090763 /nfs/dbraw/zinc/09/07/63/553090763.db2.gz ZENFCBRHLGVAND-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466748 553090767 /nfs/dbraw/zinc/09/07/67/553090767.db2.gz ZENFCBRHLGVAND-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466748 553090769 /nfs/dbraw/zinc/09/07/69/553090769.db2.gz ZENFCBRHLGVAND-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245466748 553090771 /nfs/dbraw/zinc/09/07/71/553090771.db2.gz ZENFCBRHLGVAND-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093671 /nfs/dbraw/zinc/09/36/71/553093671.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 2 381.973 2.812 20 0 GFADLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093666 /nfs/dbraw/zinc/09/36/66/553093666.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 2 381.973 2.812 20 0 GFADLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093668 /nfs/dbraw/zinc/09/36/68/553093668.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 2 381.973 2.812 20 0 GFADLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093669 /nfs/dbraw/zinc/09/36/69/553093669.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 2 381.973 2.812 20 0 GFADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777500 553159408 /nfs/dbraw/zinc/15/94/08/553159408.db2.gz XMKQPVHVHIVPLK-LLVKDONJSA-N 2 2 391.730 2.565 20 0 GFADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000261777500 553159410 /nfs/dbraw/zinc/15/94/10/553159410.db2.gz XMKQPVHVHIVPLK-LLVKDONJSA-N 2 2 391.730 2.565 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941850 553162981 /nfs/dbraw/zinc/16/29/81/553162981.db2.gz MVVQREALCOHCFQ-HNNXBMFYSA-N 2 2 382.346 2.717 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261941850 553162982 /nfs/dbraw/zinc/16/29/82/553162982.db2.gz MVVQREALCOHCFQ-HNNXBMFYSA-N 2 2 382.346 2.717 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000262148416 553166559 /nfs/dbraw/zinc/16/65/59/553166559.db2.gz ZSOBJHHYKRQSBP-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1Cl ZINC000262148416 553166560 /nfs/dbraw/zinc/16/65/60/553166560.db2.gz ZSOBJHHYKRQSBP-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094299 563228842 /nfs/dbraw/zinc/22/88/42/563228842.db2.gz JQRLIRXFTRPAEI-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094299 563228844 /nfs/dbraw/zinc/22/88/44/563228844.db2.gz JQRLIRXFTRPAEI-QGZVFWFLSA-N 2 2 381.314 2.661 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370148672 563234502 /nfs/dbraw/zinc/23/45/02/563234502.db2.gz LWBVTIQZYZUARQ-MDASCCDHSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370148672 563234505 /nfs/dbraw/zinc/23/45/05/563234505.db2.gz LWBVTIQZYZUARQ-MDASCCDHSA-N 2 2 386.367 2.985 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294638 563271872 /nfs/dbraw/zinc/27/18/72/563271872.db2.gz MEKFIGUYDFSVQH-BRWVUGGUSA-N 2 2 396.329 2.571 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294638 563271874 /nfs/dbraw/zinc/27/18/74/563271874.db2.gz MEKFIGUYDFSVQH-BRWVUGGUSA-N 2 2 396.329 2.571 20 0 GFADLP Cc1csc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000372846964 563319616 /nfs/dbraw/zinc/31/96/16/563319616.db2.gz PIAPNTZMIVEDEQ-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1csc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000372846964 563319620 /nfs/dbraw/zinc/31/96/20/563319620.db2.gz PIAPNTZMIVEDEQ-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP CC[C@H]([NH3+])CN[C@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423480497 563361581 /nfs/dbraw/zinc/36/15/81/563361581.db2.gz WDPMGSKDNIPZGZ-GJZGRUSLSA-N 2 2 398.292 2.924 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377260410 563469482 /nfs/dbraw/zinc/46/94/82/563469482.db2.gz YKUUHUQBANQSKZ-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377260410 563469486 /nfs/dbraw/zinc/46/94/86/563469486.db2.gz YKUUHUQBANQSKZ-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)c1cc(Br)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638463 563481873 /nfs/dbraw/zinc/48/18/73/563481873.db2.gz BXNWXHLHJDQXOD-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(Br)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638463 563481876 /nfs/dbraw/zinc/48/18/76/563481876.db2.gz BXNWXHLHJDQXOD-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000428241281 563486289 /nfs/dbraw/zinc/48/62/89/563486289.db2.gz DXXMSQFVXHEKHJ-CQSZACIVSA-N 2 2 387.281 2.975 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582304 563545728 /nfs/dbraw/zinc/54/57/28/563545728.db2.gz WBFUKZGNEWFBOE-ZDUSSCGKSA-N 2 2 378.261 2.971 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582304 563545730 /nfs/dbraw/zinc/54/57/30/563545730.db2.gz WBFUKZGNEWFBOE-ZDUSSCGKSA-N 2 2 378.261 2.971 20 0 GFADLP COc1cc(C)c(Br)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000287262234 563594370 /nfs/dbraw/zinc/59/43/70/563594370.db2.gz CDEIAXKSWBLLMH-UHFFFAOYSA-N 2 2 398.345 2.522 20 0 GFADLP [NH3+]C1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCCCC1 ZINC000332390781 563596926 /nfs/dbraw/zinc/59/69/26/563596926.db2.gz VLUDPEWKDBUYTJ-CQSZACIVSA-N 2 2 387.343 2.919 20 0 GFADLP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000333825475 563643056 /nfs/dbraw/zinc/64/30/56/563643056.db2.gz IKLITMJNAWQBQJ-DOMZBBRYSA-N 2 2 384.307 2.632 20 0 GFADLP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000333825475 563643060 /nfs/dbraw/zinc/64/30/60/563643060.db2.gz IKLITMJNAWQBQJ-DOMZBBRYSA-N 2 2 384.307 2.632 20 0 GFADLP C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630272 563655511 /nfs/dbraw/zinc/65/55/11/563655511.db2.gz ZZRCOSVMXSBIBR-LLVKDONJSA-N 2 2 376.245 2.740 20 0 GFADLP C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630272 563655512 /nfs/dbraw/zinc/65/55/12/563655512.db2.gz ZZRCOSVMXSBIBR-LLVKDONJSA-N 2 2 376.245 2.740 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711123 563708810 /nfs/dbraw/zinc/70/88/10/563708810.db2.gz NMXKRNATWCBIFI-MASHWEEQSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711123 563708812 /nfs/dbraw/zinc/70/88/12/563708812.db2.gz NMXKRNATWCBIFI-MASHWEEQSA-N 2 2 398.370 2.809 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829835 563712052 /nfs/dbraw/zinc/71/20/52/563712052.db2.gz RUDOHSZMFXOQAI-JKIFEVAISA-N 2 2 394.313 2.783 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829835 563712055 /nfs/dbraw/zinc/71/20/55/563712055.db2.gz RUDOHSZMFXOQAI-JKIFEVAISA-N 2 2 394.313 2.783 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000414330042 563726996 /nfs/dbraw/zinc/72/69/96/563726996.db2.gz REJKYJPNZNYLRN-KRWDZBQOSA-N 2 2 378.563 2.806 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000414330042 563726999 /nfs/dbraw/zinc/72/69/99/563726999.db2.gz REJKYJPNZNYLRN-KRWDZBQOSA-N 2 2 378.563 2.806 20 0 GFADLP C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364306023 563749063 /nfs/dbraw/zinc/74/90/63/563749063.db2.gz QUKACRDQGCQFDZ-AWEZNQCLSA-N 2 2 384.977 2.754 20 0 GFADLP C[C@H]1CN(C(=O)NCCc2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364306023 563749066 /nfs/dbraw/zinc/74/90/66/563749066.db2.gz QUKACRDQGCQFDZ-AWEZNQCLSA-N 2 2 384.977 2.754 20 0 GFADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693814 563750179 /nfs/dbraw/zinc/75/01/79/563750179.db2.gz NCBYLDGHCRYWLL-SUMWQHHRSA-N 2 2 386.323 2.564 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134372 563760175 /nfs/dbraw/zinc/76/01/75/563760175.db2.gz DQNGCDZPDGRIEC-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134372 563760180 /nfs/dbraw/zinc/76/01/80/563760180.db2.gz DQNGCDZPDGRIEC-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134914 563760355 /nfs/dbraw/zinc/76/03/55/563760355.db2.gz WIYIUDLYYQEEEH-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134914 563760357 /nfs/dbraw/zinc/76/03/57/563760357.db2.gz WIYIUDLYYQEEEH-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442779189 563779376 /nfs/dbraw/zinc/77/93/76/563779376.db2.gz IKKIQNWVLLVMHD-FOSCPWQOSA-N 2 2 388.256 2.881 20 0 GFADLP C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442779189 563779382 /nfs/dbraw/zinc/77/93/82/563779382.db2.gz IKKIQNWVLLVMHD-FOSCPWQOSA-N 2 2 388.256 2.881 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232178 563779516 /nfs/dbraw/zinc/77/95/16/563779516.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232178 563779519 /nfs/dbraw/zinc/77/95/19/563779519.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232178 563779522 /nfs/dbraw/zinc/77/95/22/563779522.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292232178 563779525 /nfs/dbraw/zinc/77/95/25/563779525.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 2 394.357 2.824 20 0 GFADLP COCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417869247 563890450 /nfs/dbraw/zinc/89/04/50/563890450.db2.gz DRZVMCVLPDZLJZ-UHFFFAOYSA-N 2 2 392.256 2.631 20 0 GFADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418035930 563896443 /nfs/dbraw/zinc/89/64/43/563896443.db2.gz YMCPTLLAYOYEDY-ZDUSSCGKSA-N 2 2 382.306 2.722 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389523 564183911 /nfs/dbraw/zinc/18/39/11/564183911.db2.gz SNKGMORRAHLWLD-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389523 564183913 /nfs/dbraw/zinc/18/39/13/564183913.db2.gz SNKGMORRAHLWLD-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064667 564324263 /nfs/dbraw/zinc/32/42/63/564324263.db2.gz LOCYPLZVGOZCPU-ZWKOTPCHSA-N 2 2 385.599 2.706 20 0 GFADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064667 564324264 /nfs/dbraw/zinc/32/42/64/564324264.db2.gz LOCYPLZVGOZCPU-ZWKOTPCHSA-N 2 2 385.599 2.706 20 0 GFADLP CN(CC1CC1)C(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510932465 564351149 /nfs/dbraw/zinc/35/11/49/564351149.db2.gz BAIYSCAYUFIGCG-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP CN(CC1CC1)C(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510932465 564351151 /nfs/dbraw/zinc/35/11/51/564351151.db2.gz BAIYSCAYUFIGCG-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000567258203 564364037 /nfs/dbraw/zinc/36/40/37/564364037.db2.gz VFPCCSKFVKIBSE-UHFFFAOYSA-N 2 2 398.345 2.540 20 0 GFADLP O=C(NCC[NH+]1CCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544289429 564381206 /nfs/dbraw/zinc/38/12/06/564381206.db2.gz ZJMUTXZDURITBY-UHFFFAOYSA-N 2 2 385.339 2.963 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3CCC(C)CC3)[nH+]c12 ZINC000544772230 564398716 /nfs/dbraw/zinc/39/87/16/564398716.db2.gz BBMGPJOGKGFJJH-UHFFFAOYSA-N 2 2 393.329 2.796 20 0 GFADLP Cc1cc(Br)cn2cc(CCNc3nc(N)c4ccccc4[nH+]3)[nH+]c12 ZINC000546758638 564467136 /nfs/dbraw/zinc/46/71/36/564467136.db2.gz RWAUPPJEZCPXHS-UHFFFAOYSA-N 2 2 397.280 3.007 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)[nH+]c12 ZINC000546824551 564470669 /nfs/dbraw/zinc/47/06/69/564470669.db2.gz AYDNMOVETBBMBT-ZDUSSCGKSA-N 2 2 394.317 2.641 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[N@H+](C)CC[C@@H]3C)[nH+]c12 ZINC000546824551 564470673 /nfs/dbraw/zinc/47/06/73/564470673.db2.gz AYDNMOVETBBMBT-ZDUSSCGKSA-N 2 2 394.317 2.641 20 0 GFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920327 564528158 /nfs/dbraw/zinc/52/81/58/564528158.db2.gz UWMHDOCAZUDFJU-ULQDDVLXSA-N 2 2 385.961 2.916 20 0 GFADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920327 564528161 /nfs/dbraw/zinc/52/81/61/564528161.db2.gz UWMHDOCAZUDFJU-ULQDDVLXSA-N 2 2 385.961 2.916 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000571156120 564537918 /nfs/dbraw/zinc/53/79/18/564537918.db2.gz YIRWLPBCLVNJFE-OAHLLOKOSA-N 2 2 394.317 2.641 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549093 564545934 /nfs/dbraw/zinc/54/59/34/564545934.db2.gz CQXOFMBEFSOWDT-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549093 564545936 /nfs/dbraw/zinc/54/59/36/564545936.db2.gz CQXOFMBEFSOWDT-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921295 564572761 /nfs/dbraw/zinc/57/27/61/564572761.db2.gz KJIYVDFBVMTVGB-RDTXWAMCSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921295 564572762 /nfs/dbraw/zinc/57/27/62/564572762.db2.gz KJIYVDFBVMTVGB-RDTXWAMCSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921293 564572801 /nfs/dbraw/zinc/57/28/01/564572801.db2.gz KJIYVDFBVMTVGB-KDOFPFPSSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921293 564572804 /nfs/dbraw/zinc/57/28/04/564572804.db2.gz KJIYVDFBVMTVGB-KDOFPFPSSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C[NH+]1CCCC1 ZINC000455858333 564575767 /nfs/dbraw/zinc/57/57/67/564575767.db2.gz BFVILQBLODYTHX-GFCCVEGCSA-N 2 2 384.322 2.764 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550892866 564634610 /nfs/dbraw/zinc/63/46/10/564634610.db2.gz UFWOVFVETMMZSU-CRAIPNDOSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550892866 564634614 /nfs/dbraw/zinc/63/46/14/564634614.db2.gz UFWOVFVETMMZSU-CRAIPNDOSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@](O)(C[NH2+]CCC[NH+]1CCN(c2ccccc2Cl)CC1)C(F)(F)F ZINC000573597248 564645021 /nfs/dbraw/zinc/64/50/21/564645021.db2.gz ZFZGSXNQWVANRJ-MRXNPFEDSA-N 2 2 379.854 2.755 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC(C)(C)C[NH+](C)C)[nH+]c12 ZINC000458657279 564710762 /nfs/dbraw/zinc/71/07/62/564710762.db2.gz MVTDTUZSAUQQGH-UHFFFAOYSA-N 2 2 382.306 2.545 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580644780 564767928 /nfs/dbraw/zinc/76/79/28/564767928.db2.gz SUJNWISBHYLJDH-JQHSSLGASA-N 2 2 392.341 2.796 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)[nH+]c12 ZINC000581478117 564804716 /nfs/dbraw/zinc/80/47/16/564804716.db2.gz GACXSOKWSLRRGT-KRWDZBQOSA-N 2 2 394.317 2.594 20 0 GFADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000528830309 564806966 /nfs/dbraw/zinc/80/69/66/564806966.db2.gz BVFNZKOVUMQBDW-UHFFFAOYSA-N 2 2 391.313 2.735 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556403563 564824736 /nfs/dbraw/zinc/82/47/36/564824736.db2.gz DWXRNGHEPXUQOO-MRXNPFEDSA-N 2 2 388.293 2.738 20 0 GFADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556403563 564824740 /nfs/dbraw/zinc/82/47/40/564824740.db2.gz DWXRNGHEPXUQOO-MRXNPFEDSA-N 2 2 388.293 2.738 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075917 564869209 /nfs/dbraw/zinc/86/92/09/564869209.db2.gz GPSFHJBGSPRAND-HNNXBMFYSA-N 2 2 393.329 2.802 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000463075917 564869212 /nfs/dbraw/zinc/86/92/12/564869212.db2.gz GPSFHJBGSPRAND-HNNXBMFYSA-N 2 2 393.329 2.802 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536062052 565028045 /nfs/dbraw/zinc/02/80/45/565028045.db2.gz TZOBJFCHDPCIAE-QWHCGFSZSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536062052 565028049 /nfs/dbraw/zinc/02/80/49/565028049.db2.gz TZOBJFCHDPCIAE-QWHCGFSZSA-N 2 2 377.286 2.999 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150092 565057574 /nfs/dbraw/zinc/05/75/74/565057574.db2.gz YRZQKYJLMAAJOS-MRXNPFEDSA-N 2 2 386.359 2.545 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150092 565057576 /nfs/dbraw/zinc/05/75/76/565057576.db2.gz YRZQKYJLMAAJOS-MRXNPFEDSA-N 2 2 386.359 2.545 20 0 GFADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)[NH+](C)C ZINC000614440574 565113614 /nfs/dbraw/zinc/11/36/14/565113614.db2.gz MVNLVTUUENHYJI-AWEZNQCLSA-N 2 2 379.302 2.625 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329908 565212610 /nfs/dbraw/zinc/21/26/10/565212610.db2.gz MMXHUAOMADVDKS-APNQJHFZSA-N 2 2 388.339 2.868 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329908 565212617 /nfs/dbraw/zinc/21/26/17/565212617.db2.gz MMXHUAOMADVDKS-APNQJHFZSA-N 2 2 388.339 2.868 20 0 GFADLP Cc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Br)s1 ZINC000638986302 565219767 /nfs/dbraw/zinc/21/97/67/565219767.db2.gz JRRXNAJJNIQWJB-UHFFFAOYSA-N 2 2 381.299 2.876 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639177621 565230266 /nfs/dbraw/zinc/23/02/66/565230266.db2.gz WKNQEXCNSFUHBL-UHFFFAOYSA-N 2 2 384.933 2.659 20 0 GFADLP CC(C)[NH2+]CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000662547010 565376365 /nfs/dbraw/zinc/37/63/65/565376365.db2.gz XXEMKUOGWGNGQH-UHFFFAOYSA-N 2 2 379.302 2.672 20 0 GFADLP Clc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Cl)s1 ZINC000641787168 565399644 /nfs/dbraw/zinc/39/96/44/565399644.db2.gz PHBLEEWZPRZYCM-AWEZNQCLSA-N 2 2 378.369 2.941 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789077 565399662 /nfs/dbraw/zinc/39/96/62/565399662.db2.gz YJQFXQLABWKCTE-QFBILLFUSA-N 2 2 396.373 2.896 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789075 565399924 /nfs/dbraw/zinc/39/99/24/565399924.db2.gz YJQFXQLABWKCTE-APWZRJJASA-N 2 2 396.373 2.896 20 0 GFADLP CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000664661494 565472828 /nfs/dbraw/zinc/47/28/28/565472828.db2.gz WYNQLBVSRTXMBW-HNNXBMFYSA-N 2 2 394.317 2.641 20 0 GFADLP CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000664661494 565472834 /nfs/dbraw/zinc/47/28/34/565472834.db2.gz WYNQLBVSRTXMBW-HNNXBMFYSA-N 2 2 394.317 2.641 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652355 565530608 /nfs/dbraw/zinc/53/06/08/565530608.db2.gz SMVJUOUYTHJTHP-MFKMUULPSA-N 2 2 394.684 2.801 20 0 GFADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086844 565542552 /nfs/dbraw/zinc/54/25/52/565542552.db2.gz ZGDSGJANQYXYKF-MSOLQXFVSA-N 2 2 396.373 2.946 20 0 GFADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086844 565542555 /nfs/dbraw/zinc/54/25/55/565542555.db2.gz ZGDSGJANQYXYKF-MSOLQXFVSA-N 2 2 396.373 2.946 20 0 GFADLP Fc1cncc(Br)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667565160 565595718 /nfs/dbraw/zinc/59/57/18/565595718.db2.gz LDXBDUMACGNMNH-UHFFFAOYSA-N 2 2 386.309 2.918 20 0 GFADLP [NH3+]CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557972 565608395 /nfs/dbraw/zinc/60/83/95/565608395.db2.gz ZLHOWSBECJZTJB-UHFFFAOYSA-N 2 2 379.302 2.803 20 0 GFADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646652608 565612129 /nfs/dbraw/zinc/61/21/29/565612129.db2.gz UBTPKNHNWZUSSB-IRXDYDNUSA-N 2 2 380.330 2.844 20 0 GFADLP Cn1cc(Br)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000648731499 565724376 /nfs/dbraw/zinc/72/43/76/565724376.db2.gz FYPRLXPCRKVHKL-UHFFFAOYSA-N 2 2 393.329 2.947 20 0 GFADLP Cn1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1=O ZINC000671702384 565782180 /nfs/dbraw/zinc/78/21/80/565782180.db2.gz HIRYYHANNPGLRZ-UHFFFAOYSA-N 2 2 391.269 2.640 20 0 GFADLP Cn1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1=O ZINC000671702384 565782185 /nfs/dbraw/zinc/78/21/85/565782185.db2.gz HIRYYHANNPGLRZ-UHFFFAOYSA-N 2 2 391.269 2.640 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563283 565859319 /nfs/dbraw/zinc/85/93/19/565859319.db2.gz DNYZILPLERJPKN-ZLDLUXBVSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563283 565859322 /nfs/dbraw/zinc/85/93/22/565859322.db2.gz DNYZILPLERJPKN-ZLDLUXBVSA-N 2 2 377.838 2.804 20 0 GFADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603897 565863671 /nfs/dbraw/zinc/86/36/71/565863671.db2.gz QLGOZCABRBVYHS-IAGOWNOFSA-N 2 2 383.330 2.795 20 0 GFADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603897 565863678 /nfs/dbraw/zinc/86/36/78/565863678.db2.gz QLGOZCABRBVYHS-IAGOWNOFSA-N 2 2 383.330 2.795 20 0 GFADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000675782016 565915235 /nfs/dbraw/zinc/91/52/35/565915235.db2.gz KFIQZIHPUGKAGD-CYBMUJFWSA-N 2 2 375.460 2.766 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000678580794 566013338 /nfs/dbraw/zinc/01/33/38/566013338.db2.gz MUXCYAJGMWITTA-ZFWWWQNUSA-N 2 2 376.302 2.746 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000678580794 566013344 /nfs/dbraw/zinc/01/33/44/566013344.db2.gz MUXCYAJGMWITTA-ZFWWWQNUSA-N 2 2 376.302 2.746 20 0 GFADLP O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679338932 566037811 /nfs/dbraw/zinc/03/78/11/566037811.db2.gz KJGLPMKTLMCOPY-KURKYZTESA-N 2 2 383.330 2.716 20 0 GFADLP Cc1cccc2c(NC[C@H](c3ccco3)[NH+]3CCCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737409418 599121176 /nfs/dbraw/zinc/12/11/76/599121176.db2.gz OAUBTGLEVHMQBU-QGZVFWFLSA-N 2 2 389.463 2.987 20 0 GFADLP CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000736482234 598369223 /nfs/dbraw/zinc/36/92/23/598369223.db2.gz YQAKKTIRDIEUCG-OAQYLSRUSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000736482234 598369224 /nfs/dbraw/zinc/36/92/24/598369224.db2.gz YQAKKTIRDIEUCG-OAQYLSRUSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000736482234 598369225 /nfs/dbraw/zinc/36/92/25/598369225.db2.gz YQAKKTIRDIEUCG-OAQYLSRUSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000736482234 598369226 /nfs/dbraw/zinc/36/92/26/598369226.db2.gz YQAKKTIRDIEUCG-OAQYLSRUSA-N 2 2 394.523 2.572 20 0 GFADLP CCCC[N@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736452222 598772965 /nfs/dbraw/zinc/77/29/65/598772965.db2.gz CRFOKCSTOCZVSQ-UHFFFAOYSA-N 2 2 391.426 2.582 20 0 GFADLP CCCC[N@@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736452222 598772966 /nfs/dbraw/zinc/77/29/66/598772966.db2.gz CRFOKCSTOCZVSQ-UHFFFAOYSA-N 2 2 391.426 2.582 20 0 GFADLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805619 599463707 /nfs/dbraw/zinc/46/37/07/599463707.db2.gz VNYIXOFCBOMFRK-GOSISDBHSA-N 2 2 389.463 2.682 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC1CC[NH+](CC2CCCC2)CC1 ZINC000823796426 599505287 /nfs/dbraw/zinc/50/52/87/599505287.db2.gz AESSZSIBHYRRCJ-UHFFFAOYSA-N 2 2 377.496 2.903 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182920 607522663 /nfs/dbraw/zinc/52/26/63/607522663.db2.gz YGYMKTJUVOESBV-KRWDZBQOSA-N 2 2 384.528 2.819 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826182920 607522665 /nfs/dbraw/zinc/52/26/65/607522665.db2.gz YGYMKTJUVOESBV-KRWDZBQOSA-N 2 2 384.528 2.819 20 0 GFADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C[C@H](C)O1 ZINC000820761746 606407615 /nfs/dbraw/zinc/40/76/15/606407615.db2.gz ZEAGMXVVXJGMLY-GJZGRUSLSA-N 2 2 398.536 2.827 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451844 608316246 /nfs/dbraw/zinc/31/62/46/608316246.db2.gz LFEFOSQCKIMOLP-QAPCUYQASA-N 2 2 394.527 2.523 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451844 608316248 /nfs/dbraw/zinc/31/62/48/608316248.db2.gz LFEFOSQCKIMOLP-QAPCUYQASA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451844 608316251 /nfs/dbraw/zinc/31/62/51/608316251.db2.gz LFEFOSQCKIMOLP-QAPCUYQASA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451844 608316252 /nfs/dbraw/zinc/31/62/52/608316252.db2.gz LFEFOSQCKIMOLP-QAPCUYQASA-N 2 2 394.527 2.523 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC000826331085 609135587 /nfs/dbraw/zinc/13/55/87/609135587.db2.gz UJFUANWZPLLMQS-GFCCVEGCSA-N 2 2 378.415 2.746 20 0 GFADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000131635160 654911912 /nfs/dbraw/zinc/91/19/12/654911912.db2.gz WBQJQRTWHBBUGA-INIZCTEOSA-N 2 2 379.595 2.920 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954047 654992613 /nfs/dbraw/zinc/99/26/13/654992613.db2.gz VTOBGBJHEJHPJA-GJZGRUSLSA-N 2 2 398.370 2.915 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954047 654992616 /nfs/dbraw/zinc/99/26/16/654992616.db2.gz VTOBGBJHEJHPJA-GJZGRUSLSA-N 2 2 398.370 2.915 20 0 GFADLP COc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1O ZINC000272211296 655105876 /nfs/dbraw/zinc/10/58/76/655105876.db2.gz AJBLKBVXMQDGSL-UHFFFAOYSA-N 2 2 399.329 2.708 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)c3cccnc23)CC1 ZINC000272301690 655108568 /nfs/dbraw/zinc/10/85/68/655108568.db2.gz PTPMDVYRFYZAEL-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)c3cccnc23)CC1 ZINC000272301690 655108569 /nfs/dbraw/zinc/10/85/69/655108569.db2.gz PTPMDVYRFYZAEL-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227935251 655423102 /nfs/dbraw/zinc/42/31/02/655423102.db2.gz BBFVVPRTJPOUES-LLVKDONJSA-N 2 2 386.153 2.675 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779558 655888982 /nfs/dbraw/zinc/88/89/82/655888982.db2.gz KELJLTSVVZWWHC-CQSZACIVSA-N 2 2 394.313 2.978 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c4cc(Br)ccc4oc3=O)C2)CC1 ZINC000755779558 655888983 /nfs/dbraw/zinc/88/89/83/655888983.db2.gz KELJLTSVVZWWHC-CQSZACIVSA-N 2 2 394.313 2.978 20 0 GFADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787193839 657526912 /nfs/dbraw/zinc/52/69/12/657526912.db2.gz ZOLKLRHWDCZUPU-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787193839 657526919 /nfs/dbraw/zinc/52/69/19/657526919.db2.gz ZOLKLRHWDCZUPU-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092436 661367524 /nfs/dbraw/zinc/36/75/24/661367524.db2.gz CZMNFSNKUAYHOX-LPHOPBHVSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092436 661367528 /nfs/dbraw/zinc/36/75/28/661367528.db2.gz CZMNFSNKUAYHOX-LPHOPBHVSA-N 2 2 393.325 2.565 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cnc1Cl ZINC000843408198 661380039 /nfs/dbraw/zinc/38/00/39/661380039.db2.gz AZHLXGGRFQAKRR-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cnc1Cl ZINC000843408198 661380043 /nfs/dbraw/zinc/38/00/43/661380043.db2.gz AZHLXGGRFQAKRR-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000863643563 662342028 /nfs/dbraw/zinc/34/20/28/662342028.db2.gz OHTFODCEMDVEQI-KGLIPLIRSA-N 2 2 388.270 2.890 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000865481574 662424091 /nfs/dbraw/zinc/42/40/91/662424091.db2.gz QYYFXPAGHSNAHK-UHFFFAOYSA-N 2 2 386.334 2.832 20 0 GFADLP Cn1c2ccccc2c(Br)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000873021664 662796627 /nfs/dbraw/zinc/79/66/27/662796627.db2.gz NXMWLYCKQONHLX-UHFFFAOYSA-N 2 2 380.330 2.877 20 0 GFADLP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1(F)F ZINC000876720654 662865430 /nfs/dbraw/zinc/86/54/30/662865430.db2.gz ANDRMIWTXLZHMO-RIEGTJTDSA-N 2 2 375.822 2.572 20 0 GFADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876924993 662868233 /nfs/dbraw/zinc/86/82/33/662868233.db2.gz YXAVQWSZAAQUBW-UHFFFAOYSA-N 2 2 375.742 2.613 20 0 GFADLP Cc1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)sc1Br ZINC000878078805 662889363 /nfs/dbraw/zinc/88/93/63/662889363.db2.gz JZEZBSKRNWKXKH-UHFFFAOYSA-N 2 2 396.358 2.651 20 0 GFADLP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1(C[NH3+])CCCCC1 ZINC000883453316 663055386 /nfs/dbraw/zinc/05/53/86/663055386.db2.gz KRZQKKOEUPTHDZ-UHFFFAOYSA-N 2 2 379.302 2.550 20 0 GFADLP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C1(C[NH3+])CCCCC1 ZINC000883453316 663055388 /nfs/dbraw/zinc/05/53/88/663055388.db2.gz KRZQKKOEUPTHDZ-UHFFFAOYSA-N 2 2 379.302 2.550 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200347 663066933 /nfs/dbraw/zinc/06/69/33/663066933.db2.gz ZQRLFNJBJVZDGY-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(Br)cc1 ZINC000884200347 663066934 /nfs/dbraw/zinc/06/69/34/663066934.db2.gz ZQRLFNJBJVZDGY-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)n1 ZINC000924624508 664659067 /nfs/dbraw/zinc/65/90/67/664659067.db2.gz CIRHZUMTOIOVBJ-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933302861 664857522 /nfs/dbraw/zinc/85/75/22/664857522.db2.gz YZYGDHGQNCPGMO-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(F)ccc(Br)c1F ZINC000933302861 664857524 /nfs/dbraw/zinc/85/75/24/664857524.db2.gz YZYGDHGQNCPGMO-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164724619 720316030 /nfs/dbraw/zinc/31/60/30/720316030.db2.gz SCZHUWRZMXGJFE-HXUWFJFHSA-N 2 2 396.539 2.695 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887732 721417340 /nfs/dbraw/zinc/41/73/40/721417340.db2.gz MUKLLAXXUNJTBB-IRLDBZIGSA-N 2 2 388.556 2.634 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164808810 721567475 /nfs/dbraw/zinc/56/74/75/721567475.db2.gz VSCTZYSBFGCLEP-DXIQSLLYSA-N 2 2 396.539 2.586 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc[nH+]1 ZINC001164808810 721567477 /nfs/dbraw/zinc/56/74/77/721567477.db2.gz VSCTZYSBFGCLEP-DXIQSLLYSA-N 2 2 396.539 2.586 20 0 GFADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164919557 721821239 /nfs/dbraw/zinc/82/12/39/721821239.db2.gz SQQJNLRDNPKMAZ-UHFFFAOYSA-N 2 2 380.540 2.623 20 0 GFADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967095 722073063 /nfs/dbraw/zinc/07/30/63/722073063.db2.gz HUIYKBDYIQPFTO-HDICACEKSA-N 2 2 376.932 2.630 20 0 GFADLP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967095 722073065 /nfs/dbraw/zinc/07/30/65/722073065.db2.gz HUIYKBDYIQPFTO-HDICACEKSA-N 2 2 376.932 2.630 20 0 GFADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000054758912 551170302 /nfs/dbraw/zinc/17/03/02/551170302.db2.gz KRZCCXZBZWTIGY-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000054758912 551170304 /nfs/dbraw/zinc/17/03/04/551170304.db2.gz KRZCCXZBZWTIGY-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000054758916 551170461 /nfs/dbraw/zinc/17/04/61/551170461.db2.gz RQPIJVNCUKFMIS-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1ccc(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000054758916 551170464 /nfs/dbraw/zinc/17/04/64/551170464.db2.gz RQPIJVNCUKFMIS-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152466834 551433569 /nfs/dbraw/zinc/43/35/69/551433569.db2.gz VOXXDAXHBMGYKV-HNNXBMFYSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152466834 551433571 /nfs/dbraw/zinc/43/35/71/551433571.db2.gz VOXXDAXHBMGYKV-HNNXBMFYSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152466834 551433572 /nfs/dbraw/zinc/43/35/72/551433572.db2.gz VOXXDAXHBMGYKV-HNNXBMFYSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152466834 551433575 /nfs/dbraw/zinc/43/35/75/551433575.db2.gz VOXXDAXHBMGYKV-HNNXBMFYSA-N 2 2 382.346 2.681 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1OC(F)F ZINC000180340406 552223034 /nfs/dbraw/zinc/22/30/34/552223034.db2.gz KFNOGIHPPYONCX-OAHLLOKOSA-N 2 2 381.261 2.761 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446187 552496540 /nfs/dbraw/zinc/49/65/40/552496540.db2.gz HQZHGNBJRZYHOX-KBPBESRZSA-N 2 2 398.345 2.661 20 0 GFADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073528 552549098 /nfs/dbraw/zinc/54/90/98/552549098.db2.gz HKFKYNMBMLPPSV-CRAIPNDOSA-N 2 2 392.341 2.972 20 0 GFADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073528 552549099 /nfs/dbraw/zinc/54/90/99/552549099.db2.gz HKFKYNMBMLPPSV-CRAIPNDOSA-N 2 2 392.341 2.972 20 0 GFADLP Brc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261617488 553154731 /nfs/dbraw/zinc/15/47/31/553154731.db2.gz AZVUQTAHWAYTAD-UHFFFAOYSA-N 2 2 376.302 2.523 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418553749 563220042 /nfs/dbraw/zinc/22/00/42/563220042.db2.gz MVBVVIBKBNJZOM-WMLDXEAASA-N 2 2 397.361 2.965 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)CSC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000370163926 563235603 /nfs/dbraw/zinc/23/56/03/563235603.db2.gz QZRYWTGICLSWTB-LBPRGKRZSA-N 2 2 376.448 2.627 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1C ZINC000419694386 563246290 /nfs/dbraw/zinc/24/62/90/563246290.db2.gz QAEJPYVTZOXBEZ-HNNXBMFYSA-N 2 2 382.295 2.688 20 0 GFADLP CN(C(=O)c1ccc(Br)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832735 563257131 /nfs/dbraw/zinc/25/71/31/563257131.db2.gz ZJVXOTWIIBXMDD-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1ccc(Br)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832735 563257134 /nfs/dbraw/zinc/25/71/34/563257134.db2.gz ZJVXOTWIIBXMDD-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374374 563262922 /nfs/dbraw/zinc/26/29/22/563262922.db2.gz NRFBPPAZFXSJHP-KDOFPFPSSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374374 563262924 /nfs/dbraw/zinc/26/29/24/563262924.db2.gz NRFBPPAZFXSJHP-KDOFPFPSSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415696 563263697 /nfs/dbraw/zinc/26/36/97/563263697.db2.gz VCGIWYVRRNQLJX-GXTWGEPZSA-N 2 2 379.302 2.840 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000420415696 563263700 /nfs/dbraw/zinc/26/37/00/563263700.db2.gz VCGIWYVRRNQLJX-GXTWGEPZSA-N 2 2 379.302 2.840 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000371305739 563271358 /nfs/dbraw/zinc/27/13/58/563271358.db2.gz ZXQCVZORFYEGPP-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000371305739 563271360 /nfs/dbraw/zinc/27/13/60/563271360.db2.gz ZXQCVZORFYEGPP-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP C[C@H]1C[N@H+](CCOc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371366419 563275085 /nfs/dbraw/zinc/27/50/85/563275085.db2.gz LTMYJXFJUQFIOD-WMZOPIPTSA-N 2 2 396.373 2.786 20 0 GFADLP C[C@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371366419 563275090 /nfs/dbraw/zinc/27/50/90/563275090.db2.gz LTMYJXFJUQFIOD-WMZOPIPTSA-N 2 2 396.373 2.786 20 0 GFADLP CC1=C(Br)CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000373782876 563351348 /nfs/dbraw/zinc/35/13/48/563351348.db2.gz NKOBHGAPUWRNMO-UHFFFAOYSA-N 2 2 399.377 2.629 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000423211936 563358628 /nfs/dbraw/zinc/35/86/28/563358628.db2.gz HXEGAGUOJFIDIW-VWYCJHECSA-N 2 2 380.341 2.680 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447968 563361187 /nfs/dbraw/zinc/36/11/87/563361187.db2.gz PKLCGFUJIICESP-LALPHHSUSA-N 2 2 398.292 2.922 20 0 GFADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005435 563387852 /nfs/dbraw/zinc/38/78/52/563387852.db2.gz OLWJWOSTZTWRRI-ZWKOTPCHSA-N 2 2 385.599 2.609 20 0 GFADLP CSc1nc2ncnc(NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2s1 ZINC000301170443 563394956 /nfs/dbraw/zinc/39/49/56/563394956.db2.gz WYJBENGOUBRNIY-UHFFFAOYSA-N 2 2 378.571 2.779 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C(C)(C)n3cncn3)[nH+]c12 ZINC000285243007 563510508 /nfs/dbraw/zinc/51/05/08/563510508.db2.gz PRXHYNMVPBKZBW-CYBMUJFWSA-N 2 2 391.317 2.953 20 0 GFADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Br)ccc(F)c12 ZINC000409726792 563570108 /nfs/dbraw/zinc/57/01/08/563570108.db2.gz LNXNPJWXABGESG-ZDUSSCGKSA-N 2 2 395.320 2.996 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333359409 563628690 /nfs/dbraw/zinc/62/86/90/563628690.db2.gz SOAZMPNUHYKKIA-OLZOCXBDSA-N 2 2 396.333 2.764 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH+]cc1Br ZINC000333646423 563638137 /nfs/dbraw/zinc/63/81/37/563638137.db2.gz JTZGKPJSFGXVTD-QGZVFWFLSA-N 2 2 396.333 2.860 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH+]cc1Br ZINC000333646423 563638140 /nfs/dbraw/zinc/63/81/40/563638140.db2.gz JTZGKPJSFGXVTD-QGZVFWFLSA-N 2 2 396.333 2.860 20 0 GFADLP Cc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1Br ZINC000289140159 563669689 /nfs/dbraw/zinc/66/96/89/563669689.db2.gz AFSXKIXAKARVLI-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)Cn1cc[nH+]c1 ZINC000290017056 563695535 /nfs/dbraw/zinc/69/55/35/563695535.db2.gz UWMNTBSBKKCGGJ-ZDUSSCGKSA-N 2 2 375.274 2.652 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000414068439 563717488 /nfs/dbraw/zinc/71/74/88/563717488.db2.gz JSQOSGRKVBWPKQ-CRAIPNDOSA-N 2 2 392.341 2.762 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339559 563719842 /nfs/dbraw/zinc/71/98/42/563719842.db2.gz YVCQJYADZDBUMT-AWEZNQCLSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339559 563719846 /nfs/dbraw/zinc/71/98/46/563719846.db2.gz YVCQJYADZDBUMT-AWEZNQCLSA-N 2 2 386.323 2.657 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363783254 563733046 /nfs/dbraw/zinc/73/30/46/563733046.db2.gz JUQKDWNQSIPUGS-DOTOQJQBSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363783254 563733048 /nfs/dbraw/zinc/73/30/48/563733048.db2.gz JUQKDWNQSIPUGS-DOTOQJQBSA-N 2 2 392.345 2.931 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204845 563746293 /nfs/dbraw/zinc/74/62/93/563746293.db2.gz BVBXYTKTHWMGJJ-KRWDZBQOSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204845 563746296 /nfs/dbraw/zinc/74/62/96/563746296.db2.gz BVBXYTKTHWMGJJ-KRWDZBQOSA-N 2 2 394.357 2.666 20 0 GFADLP CC[C@](C)([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1nccs1 ZINC000440692173 563748283 /nfs/dbraw/zinc/74/82/83/563748283.db2.gz KCNIMYNAZABMGI-SFHVURJKSA-N 2 2 378.567 2.764 20 0 GFADLP C[NH+]1CCC(n2ccc(NCc3c[nH+]c4ccc(Br)cn34)n2)CC1 ZINC000366742691 563818268 /nfs/dbraw/zinc/81/82/68/563818268.db2.gz DKPJLOGCQUFACK-UHFFFAOYSA-N 2 2 389.301 3.172 20 0 GFADLP [NH3+]C1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCCCC1 ZINC000417213692 563873776 /nfs/dbraw/zinc/87/37/76/563873776.db2.gz GCKWXRMQOFHAPU-UHFFFAOYSA-N 2 2 380.290 2.558 20 0 GFADLP CCCC[C@@H](C[NH3+])NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418018288 563895705 /nfs/dbraw/zinc/89/57/05/563895705.db2.gz ILPZPBWREWSTOL-AWEZNQCLSA-N 2 2 396.333 2.764 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1F ZINC000449113144 563906875 /nfs/dbraw/zinc/90/68/75/563906875.db2.gz VKDQYKIUHURPPU-HNNXBMFYSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1F ZINC000449113144 563906876 /nfs/dbraw/zinc/90/68/76/563906876.db2.gz VKDQYKIUHURPPU-HNNXBMFYSA-N 2 2 386.309 2.621 20 0 GFADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936908 564180759 /nfs/dbraw/zinc/18/07/59/564180759.db2.gz HPQFYYATZZSGTM-HIFRSBDPSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936908 564180762 /nfs/dbraw/zinc/18/07/62/564180762.db2.gz HPQFYYATZZSGTM-HIFRSBDPSA-N 2 2 375.460 2.665 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000449399633 564184264 /nfs/dbraw/zinc/18/42/64/564184264.db2.gz CISNJCVKLNYTOZ-UHFFFAOYSA-N 2 2 390.347 2.721 20 0 GFADLP Cc1c(Br)cccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000563416800 564190064 /nfs/dbraw/zinc/19/00/64/564190064.db2.gz JUOZDNLDVCLZKG-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1c(Br)cccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000563416800 564190069 /nfs/dbraw/zinc/19/00/69/564190069.db2.gz JUOZDNLDVCLZKG-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)c3cccnc3)c[nH+]c12 ZINC000564117139 564221230 /nfs/dbraw/zinc/22/12/30/564221230.db2.gz ZGZDZPYDAKHVKF-CQSZACIVSA-N 2 2 375.270 2.666 20 0 GFADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450241163 564223587 /nfs/dbraw/zinc/22/35/87/564223587.db2.gz KGMSFVMTQYXLDI-UHFFFAOYSA-N 2 2 395.276 2.759 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000509439754 564299217 /nfs/dbraw/zinc/29/92/17/564299217.db2.gz PMDRIXGPJNRQAN-TZMCWYRMSA-N 2 2 386.277 2.885 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000509439754 564299218 /nfs/dbraw/zinc/29/92/18/564299218.db2.gz PMDRIXGPJNRQAN-TZMCWYRMSA-N 2 2 386.277 2.885 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCSC1 ZINC000566111020 564310522 /nfs/dbraw/zinc/31/05/22/564310522.db2.gz WEMYAOKSKVGIMP-MRXNPFEDSA-N 2 2 386.359 2.805 20 0 GFADLP Cn1nccc1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510905170 564349260 /nfs/dbraw/zinc/34/92/60/564349260.db2.gz DLBYQCBIDTWKSV-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP Cn1nccc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510905170 564349262 /nfs/dbraw/zinc/34/92/62/564349262.db2.gz DLBYQCBIDTWKSV-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP C[N@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121958 564394705 /nfs/dbraw/zinc/39/47/05/564394705.db2.gz UCBSDLFQZAAOKK-HNNXBMFYSA-N 2 2 380.476 2.974 20 0 GFADLP C[N@@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121958 564394709 /nfs/dbraw/zinc/39/47/09/564394709.db2.gz UCBSDLFQZAAOKK-HNNXBMFYSA-N 2 2 380.476 2.974 20 0 GFADLP C[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000453312551 564453161 /nfs/dbraw/zinc/45/31/61/564453161.db2.gz VDBACZHTHFSVQK-ZDUSSCGKSA-N 2 2 381.318 2.974 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000515054709 564467166 /nfs/dbraw/zinc/46/71/66/564467166.db2.gz MRWBUUDXIGRDHG-CKEIUWERSA-N 2 2 391.339 2.570 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000516217587 564496872 /nfs/dbraw/zinc/49/68/72/564496872.db2.gz NISXZUNUBWNXEU-STQMWFEESA-N 2 2 386.309 2.791 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286789 564549645 /nfs/dbraw/zinc/54/96/45/564549645.db2.gz LHAULDVKDUSJIM-INIZCTEOSA-N 2 2 384.307 2.699 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286789 564549647 /nfs/dbraw/zinc/54/96/47/564549647.db2.gz LHAULDVKDUSJIM-INIZCTEOSA-N 2 2 384.307 2.699 20 0 GFADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455858718 564576054 /nfs/dbraw/zinc/57/60/54/564576054.db2.gz CFEMAFULPPVCIA-GFCCVEGCSA-N 2 2 384.322 2.858 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000485587798 564620457 /nfs/dbraw/zinc/62/04/57/564620457.db2.gz AFUBGWSZOGYDGT-YJBOKZPZSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000485587798 564620458 /nfs/dbraw/zinc/62/04/58/564620458.db2.gz AFUBGWSZOGYDGT-YJBOKZPZSA-N 2 2 381.973 2.983 20 0 GFADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486022147 564636135 /nfs/dbraw/zinc/63/61/35/564636135.db2.gz AVVNOOLOPVOFKI-HNNXBMFYSA-N 2 2 398.370 2.567 20 0 GFADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486022147 564636139 /nfs/dbraw/zinc/63/61/39/564636139.db2.gz AVVNOOLOPVOFKI-HNNXBMFYSA-N 2 2 398.370 2.567 20 0 GFADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000574101669 564668798 /nfs/dbraw/zinc/66/87/98/564668798.db2.gz JCJBJSNVXSDYQY-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](C3CC3)[C@@]3(CO)CCCO3)c[nH+]c12 ZINC000552422953 564690816 /nfs/dbraw/zinc/69/08/16/564690816.db2.gz KYGRUIWTPDZKPU-WMZOPIPTSA-N 2 2 394.313 2.815 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956987 564705154 /nfs/dbraw/zinc/70/51/54/564705154.db2.gz BPIVSTYPLBMFEM-KRWDZBQOSA-N 2 2 398.345 2.724 20 0 GFADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956987 564705158 /nfs/dbraw/zinc/70/51/58/564705158.db2.gz BPIVSTYPLBMFEM-KRWDZBQOSA-N 2 2 398.345 2.724 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000489382974 564737919 /nfs/dbraw/zinc/73/79/19/564737919.db2.gz FQCSPQXXVLZHTM-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489382974 564737923 /nfs/dbraw/zinc/73/79/23/564737923.db2.gz FQCSPQXXVLZHTM-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842586 564774317 /nfs/dbraw/zinc/77/43/17/564774317.db2.gz HVHJVMQMPMOVNM-KRWDZBQOSA-N 2 2 398.320 2.889 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842586 564774322 /nfs/dbraw/zinc/77/43/22/564774322.db2.gz HVHJVMQMPMOVNM-KRWDZBQOSA-N 2 2 398.320 2.889 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 ZINC000581881664 564821904 /nfs/dbraw/zinc/82/19/04/564821904.db2.gz AQZDNVFIYIZSLV-UHFFFAOYSA-N 2 2 385.599 2.546 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 ZINC000581881664 564821909 /nfs/dbraw/zinc/82/19/09/564821909.db2.gz AQZDNVFIYIZSLV-UHFFFAOYSA-N 2 2 385.599 2.546 20 0 GFADLP CC(C)C[C@H]([NH2+][C@H](C)c1nc(C(F)(F)F)cs1)C(=O)NCC[NH+](C)C ZINC000467746548 564970913 /nfs/dbraw/zinc/97/09/13/564970913.db2.gz JMSCAWYVHDXBMM-NEPJUHHUSA-N 2 2 380.480 2.905 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508919 565014752 /nfs/dbraw/zinc/01/47/52/565014752.db2.gz XONVGBXVXVWFKR-HUUCEWRRSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508919 565014754 /nfs/dbraw/zinc/01/47/54/565014754.db2.gz XONVGBXVXVWFKR-HUUCEWRRSA-N 2 2 384.293 2.505 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000469559922 565020833 /nfs/dbraw/zinc/02/08/33/565020833.db2.gz FGDXIYGHBKPMAE-UHFFFAOYSA-N 2 2 380.124 2.615 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000469559922 565020830 /nfs/dbraw/zinc/02/08/30/565020830.db2.gz FGDXIYGHBKPMAE-UHFFFAOYSA-N 2 2 380.124 2.615 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cnc12 ZINC000657753133 565126601 /nfs/dbraw/zinc/12/66/01/565126601.db2.gz ULLDABPDZVPOJU-INIZCTEOSA-N 2 2 393.329 2.748 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860949 565226685 /nfs/dbraw/zinc/22/66/85/565226685.db2.gz JRMNVSGIZFPLAW-UHFFFAOYSA-N 2 2 398.345 2.787 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712120 565290311 /nfs/dbraw/zinc/29/03/11/565290311.db2.gz IYJACXJBIJXPFK-CQSZACIVSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000660712120 565290316 /nfs/dbraw/zinc/29/03/16/565290316.db2.gz IYJACXJBIJXPFK-CQSZACIVSA-N 2 2 385.339 2.961 20 0 GFADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1Br ZINC000662367891 565363485 /nfs/dbraw/zinc/36/34/85/565363485.db2.gz HOMIEPOYDRIRJR-KRWDZBQOSA-N 2 2 389.297 2.761 20 0 GFADLP Cc1ccn2cc(CNC(=O)c3sc4c(c3Br)C[NH2+]C4)[nH+]c2c1 ZINC000662399877 565366089 /nfs/dbraw/zinc/36/60/89/565366089.db2.gz FANYXTIDHMMDNJ-UHFFFAOYSA-N 2 2 391.294 3.000 20 0 GFADLP O=C(N1CC[NH+](Cc2ccccc2Cl)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662787175 565385049 /nfs/dbraw/zinc/38/50/49/565385049.db2.gz IHWASCTZCKTKPP-INIZCTEOSA-N 2 2 375.822 2.526 20 0 GFADLP Cc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663731168 565432858 /nfs/dbraw/zinc/43/28/58/565432858.db2.gz IEIVFLGPHGZQSP-HNNXBMFYSA-N 2 2 383.334 2.937 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548866 565434826 /nfs/dbraw/zinc/43/48/26/565434826.db2.gz WIJIVGWJXKOSFP-ZFWWWQNUSA-N 2 2 399.354 2.932 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000663955524 565445296 /nfs/dbraw/zinc/44/52/96/565445296.db2.gz QQYMDORKLLKKAA-QGZVFWFLSA-N 2 2 397.361 2.619 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2c1cccc2Br ZINC000663955524 565445298 /nfs/dbraw/zinc/44/52/98/565445298.db2.gz QQYMDORKLLKKAA-QGZVFWFLSA-N 2 2 397.361 2.619 20 0 GFADLP Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668639653 565658069 /nfs/dbraw/zinc/65/80/69/565658069.db2.gz KGSXMTOKFYLHFR-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(F)c(Br)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668639653 565658075 /nfs/dbraw/zinc/65/80/75/565658075.db2.gz KGSXMTOKFYLHFR-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672118 /nfs/dbraw/zinc/67/21/18/565672118.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672121 /nfs/dbraw/zinc/67/21/21/565672121.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672123 /nfs/dbraw/zinc/67/21/23/565672123.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672127 /nfs/dbraw/zinc/67/21/27/565672127.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 2 385.346 2.566 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Br)cc3c1OCC3)CCO2 ZINC000648072278 565689773 /nfs/dbraw/zinc/68/97/73/565689773.db2.gz VFXBXHLXGHFUPW-UHFFFAOYSA-N 2 2 381.314 2.681 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Br)cc3c1OCC3)CCO2 ZINC000648072278 565689777 /nfs/dbraw/zinc/68/97/77/565689777.db2.gz VFXBXHLXGHFUPW-UHFFFAOYSA-N 2 2 381.314 2.681 20 0 GFADLP COC(=O)[C@@]1([NH2+]CCCn2cc[nH+]c2)CCc2cc(Br)ccc2C1 ZINC000599594595 565691475 /nfs/dbraw/zinc/69/14/75/565691475.db2.gz OIOULHSLZXLXHW-GOSISDBHSA-N 2 2 392.297 2.726 20 0 GFADLP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C(C)(C)C1 ZINC000652035845 565912072 /nfs/dbraw/zinc/91/20/72/565912072.db2.gz JZKJKVIGSUTEGQ-UHFFFAOYSA-N 2 2 381.318 2.639 20 0 GFADLP COCC[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C(C)(C)C1 ZINC000652035845 565912080 /nfs/dbraw/zinc/91/20/80/565912080.db2.gz JZKJKVIGSUTEGQ-UHFFFAOYSA-N 2 2 381.318 2.639 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351946 565922734 /nfs/dbraw/zinc/92/27/34/565922734.db2.gz LHRWKLGIBXPFCY-LRDDRELGSA-N 2 2 386.359 2.530 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351946 565922739 /nfs/dbraw/zinc/92/27/39/565922739.db2.gz LHRWKLGIBXPFCY-LRDDRELGSA-N 2 2 386.359 2.530 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885925 565981196 /nfs/dbraw/zinc/98/11/96/565981196.db2.gz FEDLCQYCTDUYSC-QRTARXTBSA-N 2 2 380.330 2.700 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(Br)cc1 ZINC000631885925 565981198 /nfs/dbraw/zinc/98/11/98/565981198.db2.gz FEDLCQYCTDUYSC-QRTARXTBSA-N 2 2 380.330 2.700 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000655701153 566082552 /nfs/dbraw/zinc/08/25/52/566082552.db2.gz ACEUONUQDMJRLY-HNNXBMFYSA-N 2 2 397.313 2.563 20 0 GFADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1CCOC ZINC000820995650 599533725 /nfs/dbraw/zinc/53/37/25/599533725.db2.gz VKWLSYVBFOWIJE-MRXNPFEDSA-N 2 2 395.511 2.579 20 0 GFADLP CC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1CCOC ZINC000820995650 599533726 /nfs/dbraw/zinc/53/37/26/599533726.db2.gz VKWLSYVBFOWIJE-MRXNPFEDSA-N 2 2 395.511 2.579 20 0 GFADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@@H]1CC ZINC000821378388 599533875 /nfs/dbraw/zinc/53/38/75/599533875.db2.gz MWNSEIZCKUPUQG-INIZCTEOSA-N 2 2 395.511 2.660 20 0 GFADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@@H]1CC ZINC000821378388 599533876 /nfs/dbraw/zinc/53/38/76/599533876.db2.gz MWNSEIZCKUPUQG-INIZCTEOSA-N 2 2 395.511 2.660 20 0 GFADLP Cc1oc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(=O)[O-] ZINC000833025717 601156290 /nfs/dbraw/zinc/15/62/90/601156290.db2.gz QOXJJTJVZDVGGV-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP Cc1oc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(=O)[O-] ZINC000833025717 601156291 /nfs/dbraw/zinc/15/62/91/601156291.db2.gz QOXJJTJVZDVGGV-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP Cc1cccc2c(NC3CC[NH+](C4CCCC4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335237 606403319 /nfs/dbraw/zinc/40/33/19/606403319.db2.gz JETDKZHCNUNOGZ-UHFFFAOYSA-N 2 2 377.496 2.964 20 0 GFADLP c1ccc(N2CCC([NH2+]CCSCc3ccccc3-c3nn[nH]n3)CC2)[nH+]c1 ZINC000823787764 607019057 /nfs/dbraw/zinc/01/90/57/607019057.db2.gz QKVKEFVMOFFARA-UHFFFAOYSA-N 2 2 395.536 2.754 20 0 GFADLP CC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000825465817 607822154 /nfs/dbraw/zinc/82/21/54/607822154.db2.gz RIGNSAYUBIOFCE-NSHDSACASA-N 2 2 389.410 2.547 20 0 GFADLP CC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000825465817 607822155 /nfs/dbraw/zinc/82/21/55/607822155.db2.gz RIGNSAYUBIOFCE-NSHDSACASA-N 2 2 389.410 2.547 20 0 GFADLP C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000822797818 660354599 /nfs/dbraw/zinc/35/45/99/660354599.db2.gz LWBVTIQZYZUARQ-ZOCIIQOWSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000822797818 660354601 /nfs/dbraw/zinc/35/46/01/660354601.db2.gz LWBVTIQZYZUARQ-ZOCIIQOWSA-N 2 2 386.367 2.985 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867792 654989445 /nfs/dbraw/zinc/98/94/45/654989445.db2.gz FRZAJEJZSDBPFQ-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867792 654989450 /nfs/dbraw/zinc/98/94/50/654989450.db2.gz FRZAJEJZSDBPFQ-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000273480499 655144964 /nfs/dbraw/zinc/14/49/64/655144964.db2.gz SNQCUQSLYGKDIF-GJZGRUSLSA-N 2 2 388.961 2.723 20 0 GFADLP CN(CCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1)CC[NH+](C)C ZINC000578096465 655472432 /nfs/dbraw/zinc/47/24/32/655472432.db2.gz KEDYGFYXJJAYCR-UHFFFAOYSA-N 2 2 382.350 2.641 20 0 GFADLP CN(CCC[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1)CC[NH+](C)C ZINC000578096465 655472435 /nfs/dbraw/zinc/47/24/35/655472435.db2.gz KEDYGFYXJJAYCR-UHFFFAOYSA-N 2 2 382.350 2.641 20 0 GFADLP CN(CCC[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1)CC[NH+](C)C ZINC000578096465 655472437 /nfs/dbraw/zinc/47/24/37/655472437.db2.gz KEDYGFYXJJAYCR-UHFFFAOYSA-N 2 2 382.350 2.641 20 0 GFADLP CN(CCC[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1)CC[NH+](C)C ZINC000578096465 655472439 /nfs/dbraw/zinc/47/24/39/655472439.db2.gz KEDYGFYXJJAYCR-UHFFFAOYSA-N 2 2 382.350 2.641 20 0 GFADLP COc1ccc(NC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000732719897 655600647 /nfs/dbraw/zinc/60/06/47/655600647.db2.gz DITMEWIJDZHEKH-AWEZNQCLSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(NC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000732719897 655600652 /nfs/dbraw/zinc/60/06/52/655600652.db2.gz DITMEWIJDZHEKH-AWEZNQCLSA-N 2 2 382.961 2.804 20 0 GFADLP Cc1cc(Br)ncc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000754457221 655868091 /nfs/dbraw/zinc/86/80/91/655868091.db2.gz SRLZERHWYUTPSJ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1cc(Br)ncc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000754457221 655868093 /nfs/dbraw/zinc/86/80/93/655868093.db2.gz SRLZERHWYUTPSJ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)[NH+](C)C ZINC000787674314 657584303 /nfs/dbraw/zinc/58/43/03/657584303.db2.gz MOQKAVFXQQGFEC-QGZVFWFLSA-N 2 2 397.361 2.726 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912384 661448897 /nfs/dbraw/zinc/44/88/97/661448897.db2.gz SZAPWYGJDYUWBY-VNQPRFMTSA-N 2 2 393.329 2.958 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912384 661448900 /nfs/dbraw/zinc/44/89/00/661448900.db2.gz SZAPWYGJDYUWBY-VNQPRFMTSA-N 2 2 393.329 2.958 20 0 GFADLP CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845675754 661489382 /nfs/dbraw/zinc/48/93/82/661489382.db2.gz KFWIYISSFIBVDY-ZBFHGGJFSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845675754 661489389 /nfs/dbraw/zinc/48/93/89/661489389.db2.gz KFWIYISSFIBVDY-ZBFHGGJFSA-N 2 2 391.387 2.770 20 0 GFADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778862 662043762 /nfs/dbraw/zinc/04/37/62/662043762.db2.gz QXQSDFFWWMMQOP-NSHDSACASA-N 2 2 378.826 2.569 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@@H](C(F)F)C1)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000859297283 662151263 /nfs/dbraw/zinc/15/12/63/662151263.db2.gz WYGPUXVFAHJPDK-ZIAGYGMSSA-N 2 2 386.506 2.627 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@@H](C(F)F)C1)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000859297283 662151264 /nfs/dbraw/zinc/15/12/64/662151264.db2.gz WYGPUXVFAHJPDK-ZIAGYGMSSA-N 2 2 386.506 2.627 20 0 GFADLP Brc1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccn21 ZINC000863652242 662342535 /nfs/dbraw/zinc/34/25/35/662342535.db2.gz SRTUZEJGTDRWER-HNNXBMFYSA-N 2 2 393.329 2.687 20 0 GFADLP C[NH+]1CCC2(CC1)CC[NH+]([C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000879249894 662921748 /nfs/dbraw/zinc/92/17/48/662921748.db2.gz FDWMNNLWTJTHEY-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570686 662929707 /nfs/dbraw/zinc/92/97/07/662929707.db2.gz DOUSKAXFZYEFHS-KYJSFNMBSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879570686 662929708 /nfs/dbraw/zinc/92/97/08/662929708.db2.gz DOUSKAXFZYEFHS-KYJSFNMBSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879570686 662929709 /nfs/dbraw/zinc/92/97/09/662929709.db2.gz DOUSKAXFZYEFHS-KYJSFNMBSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879570686 662929710 /nfs/dbraw/zinc/92/97/10/662929710.db2.gz DOUSKAXFZYEFHS-KYJSFNMBSA-N 2 2 394.357 2.822 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000884188285 663066710 /nfs/dbraw/zinc/06/67/10/663066710.db2.gz CSXWWYKWNIUTEO-LSDHHAIUSA-N 2 2 382.327 2.930 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000884188283 663066772 /nfs/dbraw/zinc/06/67/72/663066772.db2.gz CSXWWYKWNIUTEO-GJZGRUSLSA-N 2 2 382.327 2.930 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212475 663449058 /nfs/dbraw/zinc/44/90/58/663449058.db2.gz BLGQHLJIOWBVJB-OAHLLOKOSA-N 2 2 380.945 2.982 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212475 663449059 /nfs/dbraw/zinc/44/90/59/663449059.db2.gz BLGQHLJIOWBVJB-OAHLLOKOSA-N 2 2 380.945 2.982 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930223 663812323 /nfs/dbraw/zinc/81/23/23/663812323.db2.gz VECGDKYCCYZCEV-RDTXWAMCSA-N 2 2 392.345 2.841 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)cnn1C ZINC000903930223 663812324 /nfs/dbraw/zinc/81/23/24/663812324.db2.gz VECGDKYCCYZCEV-RDTXWAMCSA-N 2 2 392.345 2.841 20 0 GFADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924782314 664661800 /nfs/dbraw/zinc/66/18/00/664661800.db2.gz MPJMXFXGVXRGIH-UHFFFAOYSA-N 2 2 381.571 2.540 20 0 GFADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615489 719004098 /nfs/dbraw/zinc/00/40/98/719004098.db2.gz HBLSAIVSHYDEIX-PXCRPINLSA-N 2 2 386.540 2.748 20 0 GFADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615489 719004102 /nfs/dbraw/zinc/00/41/02/719004102.db2.gz HBLSAIVSHYDEIX-PXCRPINLSA-N 2 2 386.540 2.748 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC001164830711 720344748 /nfs/dbraw/zinc/34/47/48/720344748.db2.gz WPWUVVGYFRJCGH-RBUKOAKNSA-N 2 2 383.540 2.574 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762023 721176700 /nfs/dbraw/zinc/17/67/00/721176700.db2.gz BXMWDERFIUCBPH-OALUTQOASA-N 2 2 377.492 2.935 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762023 721176715 /nfs/dbraw/zinc/17/67/15/721176715.db2.gz BXMWDERFIUCBPH-OALUTQOASA-N 2 2 377.492 2.935 20 0 GFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cc(C)cc3N)C2)C1 ZINC001164783957 721362255 /nfs/dbraw/zinc/36/22/55/721362255.db2.gz QBSZJJZEJWYQPI-NRFANRHFSA-N 2 2 385.512 2.696 20 0 GFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cc(C)cc3N)C2)C1 ZINC001164783957 721362258 /nfs/dbraw/zinc/36/22/58/721362258.db2.gz QBSZJJZEJWYQPI-NRFANRHFSA-N 2 2 385.512 2.696 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977539 722120736 /nfs/dbraw/zinc/12/07/36/722120736.db2.gz NLXWIGTZPDMBIQ-RBUKOAKNSA-N 2 2 392.507 2.697 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164977539 722120738 /nfs/dbraw/zinc/12/07/38/722120738.db2.gz NLXWIGTZPDMBIQ-RBUKOAKNSA-N 2 2 392.507 2.697 20 0 GFADLP Cc1nc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc(N)[nH+]1 ZINC000631168068 532546638 /nfs/dbraw/zinc/54/66/38/532546638.db2.gz YQGNYVMQHZSVNN-UHFFFAOYSA-N 2 2 377.290 2.601 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)c(F)c3)CC2)CC1 ZINC000050797528 551161504 /nfs/dbraw/zinc/16/15/04/551161504.db2.gz LEMZPBUTMGJMSC-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000128342293 551348908 /nfs/dbraw/zinc/34/89/08/551348908.db2.gz AWJMXWAPZIYYDH-QGZVFWFLSA-N 2 2 379.595 2.920 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000128342293 551348911 /nfs/dbraw/zinc/34/89/11/551348911.db2.gz AWJMXWAPZIYYDH-QGZVFWFLSA-N 2 2 379.595 2.920 20 0 GFADLP CCN(CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)S(C)(=O)=O ZINC000128333606 551349107 /nfs/dbraw/zinc/34/91/07/551349107.db2.gz ZGLMGVFIPCSHQK-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000156416501 551522370 /nfs/dbraw/zinc/52/23/70/551522370.db2.gz IDQJBTKFUGLWEC-XJKSGUPXSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000156416501 551522373 /nfs/dbraw/zinc/52/23/73/551522373.db2.gz IDQJBTKFUGLWEC-XJKSGUPXSA-N 2 2 380.330 2.784 20 0 GFADLP Cc1[nH]c(=S)sc1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172850715 551688253 /nfs/dbraw/zinc/68/82/53/551688253.db2.gz LLNRMLPBRILUBW-UHFFFAOYSA-N 2 2 382.599 2.723 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969371 552349263 /nfs/dbraw/zinc/34/92/63/552349263.db2.gz DHPVBOAKJSLMQB-HNNXBMFYSA-N 2 2 392.345 2.537 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969371 552349266 /nfs/dbraw/zinc/34/92/66/552349266.db2.gz DHPVBOAKJSLMQB-HNNXBMFYSA-N 2 2 392.345 2.537 20 0 GFADLP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000189037233 552461349 /nfs/dbraw/zinc/46/13/49/552461349.db2.gz DXAKFCBFHKMDBO-AWEZNQCLSA-N 2 2 387.293 2.621 20 0 GFADLP Fc1cc(Br)cc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000189037233 552461350 /nfs/dbraw/zinc/46/13/50/552461350.db2.gz DXAKFCBFHKMDBO-AWEZNQCLSA-N 2 2 387.293 2.621 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246284580 553105940 /nfs/dbraw/zinc/10/59/40/553105940.db2.gz AAGXORMGYZZJSM-HOCLYGCPSA-N 2 2 382.346 2.680 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246284580 553105942 /nfs/dbraw/zinc/10/59/42/553105942.db2.gz AAGXORMGYZZJSM-HOCLYGCPSA-N 2 2 382.346 2.680 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262350767 553169666 /nfs/dbraw/zinc/16/96/66/553169666.db2.gz ILQKZGHHNKORLG-CYBMUJFWSA-N 2 2 378.929 2.817 20 0 GFADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474713845 564286984 /nfs/dbraw/zinc/28/69/84/564286984.db2.gz MUOLDRBCIKNFFC-ZDUSSCGKSA-N 2 2 380.252 2.803 20 0 GFADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474713845 564286979 /nfs/dbraw/zinc/28/69/79/564286979.db2.gz MUOLDRBCIKNFFC-ZDUSSCGKSA-N 2 2 380.252 2.803 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420376635 563262754 /nfs/dbraw/zinc/26/27/54/563262754.db2.gz VIMGVQJLJXAHOE-OAHLLOKOSA-N 2 2 388.375 2.966 20 0 GFADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728430 563223461 /nfs/dbraw/zinc/22/34/61/563223461.db2.gz ZNJDGZAGTXOKBE-YJBOKZPZSA-N 2 2 379.595 2.705 20 0 GFADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728430 563223464 /nfs/dbraw/zinc/22/34/64/563223464.db2.gz ZNJDGZAGTXOKBE-YJBOKZPZSA-N 2 2 379.595 2.705 20 0 GFADLP CCn1cc(Br)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371468219 563278564 /nfs/dbraw/zinc/27/85/64/563278564.db2.gz ACUXGFVNSAIJCT-AWEZNQCLSA-N 2 2 397.361 2.511 20 0 GFADLP CCn1cc(Br)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371468219 563278566 /nfs/dbraw/zinc/27/85/66/563278566.db2.gz ACUXGFVNSAIJCT-AWEZNQCLSA-N 2 2 397.361 2.511 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1Br ZINC000279180829 563286568 /nfs/dbraw/zinc/28/65/68/563286568.db2.gz RUTGLFYQERKBPT-UHFFFAOYSA-N 2 2 393.329 2.613 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c1Br ZINC000279240487 563289037 /nfs/dbraw/zinc/28/90/37/563289037.db2.gz ZVCFFIRPQJXXGG-UHFFFAOYSA-N 2 2 381.318 2.721 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3c2cccc3Br)CC1 ZINC000422184306 563333141 /nfs/dbraw/zinc/33/31/41/563333141.db2.gz PJEPDAQPGSYQFV-UHFFFAOYSA-N 2 2 395.345 2.547 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000423092582 563354556 /nfs/dbraw/zinc/35/45/56/563354556.db2.gz CKVPAGCQYYOHQM-VXGBXAGGSA-N 2 2 380.657 2.923 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117693 563356110 /nfs/dbraw/zinc/35/61/10/563356110.db2.gz WTHHOQWCHVZGDI-JQWIXIFHSA-N 2 2 394.684 2.801 20 0 GFADLP COc1cc2[nH+]ccc(NCC3([NH+]4CCOCC4)CC3)c2cc1Br ZINC000425264887 563415646 /nfs/dbraw/zinc/41/56/46/563415646.db2.gz YDYPAKMEKCCTEM-UHFFFAOYSA-N 2 2 392.297 2.705 20 0 GFADLP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000376470266 563443059 /nfs/dbraw/zinc/44/30/59/563443059.db2.gz AXHARKQFMIYLCL-QGZVFWFLSA-N 2 2 383.583 2.508 20 0 GFADLP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000376470266 563443062 /nfs/dbraw/zinc/44/30/62/563443062.db2.gz AXHARKQFMIYLCL-QGZVFWFLSA-N 2 2 383.583 2.508 20 0 GFADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCSC[C@@H]3c3cccs3)cn2)CC1 ZINC000377256157 563468544 /nfs/dbraw/zinc/46/85/44/563468544.db2.gz ZVMFNQCHBZNEDL-MRXNPFEDSA-N 2 2 375.567 2.580 20 0 GFADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCSC[C@@H]3c3cccs3)cn2)CC1 ZINC000377256157 563468546 /nfs/dbraw/zinc/46/85/46/563468546.db2.gz ZVMFNQCHBZNEDL-MRXNPFEDSA-N 2 2 375.567 2.580 20 0 GFADLP Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000378276698 563501437 /nfs/dbraw/zinc/50/14/37/563501437.db2.gz ZYEIZNJMWWKHJA-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000378276698 563501441 /nfs/dbraw/zinc/50/14/41/563501441.db2.gz ZYEIZNJMWWKHJA-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC000430933182 563550123 /nfs/dbraw/zinc/55/01/23/563550123.db2.gz HKYKHPWVKGOPBT-UHFFFAOYSA-N 2 2 379.551 2.645 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)[nH+]cc1Br ZINC000333278854 563626867 /nfs/dbraw/zinc/62/68/67/563626867.db2.gz HFMLWBGGFXAEBT-ZDUSSCGKSA-N 2 2 396.333 2.764 20 0 GFADLP CC(C)N(C)C(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411722753 563631852 /nfs/dbraw/zinc/63/18/52/563631852.db2.gz RKAXGVSQRBFMKL-UHFFFAOYSA-N 2 2 383.290 2.608 20 0 GFADLP CC(C)N(C)C(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411722753 563631854 /nfs/dbraw/zinc/63/18/54/563631854.db2.gz RKAXGVSQRBFMKL-UHFFFAOYSA-N 2 2 383.290 2.608 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434997703 563641243 /nfs/dbraw/zinc/64/12/43/563641243.db2.gz WNOFWIGOMNDJQE-OAHLLOKOSA-N 2 2 380.286 2.792 20 0 GFADLP CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618471 563654801 /nfs/dbraw/zinc/65/48/01/563654801.db2.gz YVEATICWDZBXOY-HNNXBMFYSA-N 2 2 389.359 2.687 20 0 GFADLP CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435618471 563654802 /nfs/dbraw/zinc/65/48/02/563654802.db2.gz YVEATICWDZBXOY-HNNXBMFYSA-N 2 2 389.359 2.687 20 0 GFADLP C[NH+](C)CCN1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413096045 563682238 /nfs/dbraw/zinc/68/22/38/563682238.db2.gz QHYVTDTVGFRIIT-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GFADLP CN(CC[NH2+]C1CC[NH+](Cc2cccs2)CC1)S(=O)(=O)c1cccs1 ZINC000360810516 563695280 /nfs/dbraw/zinc/69/52/80/563695280.db2.gz LJADIDZQUIYTMA-UHFFFAOYSA-N 2 2 399.607 2.684 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944602 563737937 /nfs/dbraw/zinc/73/79/37/563737937.db2.gz HZCOSBCUSBHAOJ-CZUORRHYSA-N 2 2 392.345 2.886 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1Br ZINC000363944602 563737939 /nfs/dbraw/zinc/73/79/39/563737939.db2.gz HZCOSBCUSBHAOJ-CZUORRHYSA-N 2 2 392.345 2.886 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414968866 563755240 /nfs/dbraw/zinc/75/52/40/563755240.db2.gz DGKLYPFGRIZAHH-KBXCAEBGSA-N 2 2 392.341 2.863 20 0 GFADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414969725 563755356 /nfs/dbraw/zinc/75/53/56/563755356.db2.gz TXBRLJIOEOEFNR-AWEZNQCLSA-N 2 2 381.343 2.566 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415099106 563758606 /nfs/dbraw/zinc/75/86/06/563758606.db2.gz XSPBTPGAKZJUFI-QGZVFWFLSA-N 2 2 393.329 2.836 20 0 GFADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000365793084 563793836 /nfs/dbraw/zinc/79/38/36/563793836.db2.gz DKRDQHBPXRPYEL-INIZCTEOSA-N 2 2 396.373 2.896 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000365793084 563793839 /nfs/dbraw/zinc/79/38/39/563793839.db2.gz DKRDQHBPXRPYEL-INIZCTEOSA-N 2 2 396.373 2.896 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368074863 563863132 /nfs/dbraw/zinc/86/31/32/563863132.db2.gz KCCKRIKZZSJAIL-CRAIPNDOSA-N 2 2 396.373 2.916 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062706 563873615 /nfs/dbraw/zinc/87/36/15/563873615.db2.gz CUZDLIXNYQKCAI-KGLIPLIRSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062706 563873618 /nfs/dbraw/zinc/87/36/18/563873618.db2.gz CUZDLIXNYQKCAI-KGLIPLIRSA-N 2 2 376.444 2.825 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C[NH3+])CC(C)C)[nH+]c12 ZINC000418020666 563895628 /nfs/dbraw/zinc/89/56/28/563895628.db2.gz NPDQFMJMAFOCIB-ZDUSSCGKSA-N 2 2 382.306 2.578 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)CCCC[NH3+])[nH+]c12 ZINC000418019130 563895685 /nfs/dbraw/zinc/89/56/85/563895685.db2.gz KFXLPOYCUDGUOY-GFCCVEGCSA-N 2 2 382.306 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)[nH+]c12 ZINC000418023702 563895995 /nfs/dbraw/zinc/89/59/95/563895995.db2.gz MHSVQUSTGQBZCY-OAHLLOKOSA-N 2 2 396.333 2.920 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121587 563906945 /nfs/dbraw/zinc/90/69/45/563906945.db2.gz ICIFOKSIHSKYBQ-MKTAYPAQSA-N 2 2 398.320 2.764 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121587 563906946 /nfs/dbraw/zinc/90/69/46/563906946.db2.gz ICIFOKSIHSKYBQ-MKTAYPAQSA-N 2 2 398.320 2.764 20 0 GFADLP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449375852 564183224 /nfs/dbraw/zinc/18/32/24/564183224.db2.gz JPDNPGQPJKDORL-UHFFFAOYSA-N 2 2 396.251 2.617 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449388544 564183282 /nfs/dbraw/zinc/18/32/82/564183282.db2.gz AJLKWSJKPRKEOU-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449388544 564183284 /nfs/dbraw/zinc/18/32/84/564183284.db2.gz AJLKWSJKPRKEOU-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563497308 564193343 /nfs/dbraw/zinc/19/33/43/564193343.db2.gz WRJWXXWICWJZBX-LLVKDONJSA-N 2 2 387.347 2.668 20 0 GFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679273 564195652 /nfs/dbraw/zinc/19/56/52/564195652.db2.gz HTHXSUBIBWVFGN-JJRVBVJISA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)C1 ZINC000449679273 564195653 /nfs/dbraw/zinc/19/56/53/564195653.db2.gz HTHXSUBIBWVFGN-JJRVBVJISA-N 2 2 385.346 2.539 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564447 564239458 /nfs/dbraw/zinc/23/94/58/564239458.db2.gz PAOKGRSKRNJGCC-ZBFHGGJFSA-N 2 2 394.313 2.861 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000509439741 564299436 /nfs/dbraw/zinc/29/94/36/564299436.db2.gz PMDRIXGPJNRQAN-GXTWGEPZSA-N 2 2 386.277 2.885 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000509439741 564299438 /nfs/dbraw/zinc/29/94/38/564299438.db2.gz PMDRIXGPJNRQAN-GXTWGEPZSA-N 2 2 386.277 2.885 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)Cc3ccco3)c[nH+]c12 ZINC000542312835 564309445 /nfs/dbraw/zinc/30/94/45/564309445.db2.gz GTKNTILFRJTYNR-ZDUSSCGKSA-N 2 2 378.270 2.939 20 0 GFADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000542580812 564319095 /nfs/dbraw/zinc/31/90/95/564319095.db2.gz XLRWTPSTRHXKBE-UHFFFAOYSA-N 2 2 378.567 2.682 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425811 564326956 /nfs/dbraw/zinc/32/69/56/564326956.db2.gz YWWOHRHTTBTIGE-WBVHZDCISA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425811 564326960 /nfs/dbraw/zinc/32/69/60/564326960.db2.gz YWWOHRHTTBTIGE-WBVHZDCISA-N 2 2 385.346 2.601 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480617 564328840 /nfs/dbraw/zinc/32/88/40/564328840.db2.gz YMDBMWJSBNVNKD-ASFAAARLSA-N 2 2 394.357 2.999 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480617 564328843 /nfs/dbraw/zinc/32/88/43/564328843.db2.gz YMDBMWJSBNVNKD-ASFAAARLSA-N 2 2 394.357 2.999 20 0 GFADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1c(Cl)cccc1Cl ZINC000512312223 564397774 /nfs/dbraw/zinc/39/77/74/564397774.db2.gz CBRIYFIKXNPEJG-UHFFFAOYSA-N 2 2 382.295 2.863 20 0 GFADLP C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514143047 564447186 /nfs/dbraw/zinc/44/71/86/564447186.db2.gz ZRZPGMTXAFBGOI-CQSZACIVSA-N 2 2 380.330 2.532 20 0 GFADLP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000514143047 564447192 /nfs/dbraw/zinc/44/71/92/564447192.db2.gz ZRZPGMTXAFBGOI-CQSZACIVSA-N 2 2 380.330 2.532 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000546619617 564462425 /nfs/dbraw/zinc/46/24/25/564462425.db2.gz NGIJSHWVHUVEJO-UHFFFAOYSA-N 2 2 399.329 2.835 20 0 GFADLP O=C1[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724111 564475980 /nfs/dbraw/zinc/47/59/80/564475980.db2.gz YIABIOGNMMTAIN-SJLPKXTDSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724111 564475983 /nfs/dbraw/zinc/47/59/83/564475983.db2.gz YIABIOGNMMTAIN-SJLPKXTDSA-N 2 2 378.314 2.630 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1=O ZINC000516621631 564507027 /nfs/dbraw/zinc/50/70/27/564507027.db2.gz YHUXTHAVHDGYIL-CQSZACIVSA-N 2 2 395.276 2.603 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665783 564519086 /nfs/dbraw/zinc/51/90/86/564519086.db2.gz DJNPDPTZQCEIOI-DQYPLSBCSA-N 2 2 385.961 2.772 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665783 564519090 /nfs/dbraw/zinc/51/90/90/564519090.db2.gz DJNPDPTZQCEIOI-DQYPLSBCSA-N 2 2 385.961 2.772 20 0 GFADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519825865 564592077 /nfs/dbraw/zinc/59/20/77/564592077.db2.gz NTSMUBDQBAYGOJ-CPUCHLNUSA-N 2 2 380.330 2.782 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c[nH+]c12 ZINC000484745018 564596494 /nfs/dbraw/zinc/59/64/94/564596494.db2.gz VXSSOCDWTFBTQZ-QGZVFWFLSA-N 2 2 398.301 2.588 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000485592905 564621346 /nfs/dbraw/zinc/62/13/46/564621346.db2.gz PEVIMFHJXKTZKB-CVEARBPZSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550892867 564633926 /nfs/dbraw/zinc/63/39/26/564633926.db2.gz UFWOVFVETMMZSU-MAUKXSAKSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550892867 564633933 /nfs/dbraw/zinc/63/39/33/564633933.db2.gz UFWOVFVETMMZSU-MAUKXSAKSA-N 2 2 390.325 2.863 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979745 564662711 /nfs/dbraw/zinc/66/27/11/564662711.db2.gz SUJBZUAJOIPILA-AWEZNQCLSA-N 2 2 381.307 2.875 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979745 564662715 /nfs/dbraw/zinc/66/27/15/564662715.db2.gz SUJBZUAJOIPILA-AWEZNQCLSA-N 2 2 381.307 2.875 20 0 GFADLP O=C(C[NH2+]Cc1csc(-c2cccs2)n1)NCC[NH+]1CCCCCC1 ZINC000552064678 564675829 /nfs/dbraw/zinc/67/58/29/564675829.db2.gz HRCHLNUHCIOQQW-UHFFFAOYSA-N 2 2 378.567 2.953 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000552689992 564697817 /nfs/dbraw/zinc/69/78/17/564697817.db2.gz RDOWQDMASHWKNX-MRXNPFEDSA-N 2 2 381.973 2.730 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@@H+]3CCC(C)(C)C3)[nH+]c12 ZINC000575428547 564699483 /nfs/dbraw/zinc/69/94/83/564699483.db2.gz YFWBZMKCTDGGPF-UHFFFAOYSA-N 2 2 393.329 2.796 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@H+]3CCC(C)(C)C3)[nH+]c12 ZINC000575428547 564699486 /nfs/dbraw/zinc/69/94/86/564699486.db2.gz YFWBZMKCTDGGPF-UHFFFAOYSA-N 2 2 393.329 2.796 20 0 GFADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000577266964 564731686 /nfs/dbraw/zinc/73/16/86/564731686.db2.gz UEDNQMQMASOIEW-UHFFFAOYSA-N 2 2 391.313 2.886 20 0 GFADLP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(O)c3Br)CC2)CC1 ZINC000459390313 564742453 /nfs/dbraw/zinc/74/24/53/564742453.db2.gz PLUKDYWNOFLYGG-UHFFFAOYSA-N 2 2 382.346 2.803 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NCc3cccc(O)c3Br)CC2)CC1 ZINC000459390313 564742458 /nfs/dbraw/zinc/74/24/58/564742458.db2.gz PLUKDYWNOFLYGG-UHFFFAOYSA-N 2 2 382.346 2.803 20 0 GFADLP FC(F)(F)c1cnc(NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000578348164 564743260 /nfs/dbraw/zinc/74/32/60/564743260.db2.gz QTKMGYNUZRMFBC-KGLIPLIRSA-N 2 2 378.826 2.522 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc(Br)c1O ZINC000459436275 564744712 /nfs/dbraw/zinc/74/47/12/564744712.db2.gz QIMCGFVKMKBSAY-ZDUSSCGKSA-N 2 2 387.318 2.611 20 0 GFADLP Brc1ccccc1-c1cnc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000489855575 564755333 /nfs/dbraw/zinc/75/53/33/564755333.db2.gz FBGOAHPKGAMYMQ-CQSZACIVSA-N 2 2 391.313 2.584 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037677 564784922 /nfs/dbraw/zinc/78/49/22/564784922.db2.gz PWANUXBCTDEASD-KRWDZBQOSA-N 2 2 398.345 2.724 20 0 GFADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000581037677 564784926 /nfs/dbraw/zinc/78/49/26/564784926.db2.gz PWANUXBCTDEASD-KRWDZBQOSA-N 2 2 398.345 2.724 20 0 GFADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)COc1ccc(Br)cc1 ZINC000581066668 564785662 /nfs/dbraw/zinc/78/56/62/564785662.db2.gz HZTUHHFNOSVZCR-OAHLLOKOSA-N 2 2 380.286 2.676 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698281 564837279 /nfs/dbraw/zinc/83/72/79/564837279.db2.gz UXJBXHHUQPBMET-DYVFJYSZSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698281 564837283 /nfs/dbraw/zinc/83/72/83/564837283.db2.gz UXJBXHHUQPBMET-DYVFJYSZSA-N 2 2 380.330 2.641 20 0 GFADLP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779360 564918872 /nfs/dbraw/zinc/91/88/72/564918872.db2.gz YHQKOYBNOBHRNF-MSOLQXFVSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779360 564918876 /nfs/dbraw/zinc/91/88/76/564918876.db2.gz YHQKOYBNOBHRNF-MSOLQXFVSA-N 2 2 381.611 2.998 20 0 GFADLP O=C(CCc1[nH]cc[nH+]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561046468 564982809 /nfs/dbraw/zinc/98/28/09/564982809.db2.gz HIRMSKOZDUCXTL-UHFFFAOYSA-N 2 2 392.257 2.623 20 0 GFADLP C[N@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH+](CCO)CC1 ZINC000470198446 565040442 /nfs/dbraw/zinc/04/04/42/565040442.db2.gz RUADJTBDCLTVNM-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[N@@H+](Cc1cc(Br)cc2cccnc21)C1CC[NH+](CCO)CC1 ZINC000470198446 565040445 /nfs/dbraw/zinc/04/04/45/565040445.db2.gz RUADJTBDCLTVNM-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)COc1cccc(Br)c1 ZINC000562993897 565051423 /nfs/dbraw/zinc/05/14/23/565051423.db2.gz RCARHQQNTHWORO-OAHLLOKOSA-N 2 2 380.286 2.676 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000638172045 565187703 /nfs/dbraw/zinc/18/77/03/565187703.db2.gz NHONFOWVBOIZMV-DOMZBBRYSA-N 2 2 375.274 2.771 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@@H]1n1cc[nH+]c1 ZINC000638172045 565187707 /nfs/dbraw/zinc/18/77/07/565187707.db2.gz NHONFOWVBOIZMV-DOMZBBRYSA-N 2 2 375.274 2.771 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000659287276 565210614 /nfs/dbraw/zinc/21/06/14/565210614.db2.gz YJYBJGJGICAGRY-NVXWUHKLSA-N 2 2 388.339 2.727 20 0 GFADLP COc1ccc(Br)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638987489 565220138 /nfs/dbraw/zinc/22/01/38/565220138.db2.gz RNGNBDLFGMKQFL-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000638977454 565220420 /nfs/dbraw/zinc/22/04/20/565220420.db2.gz SINYSTUNWDFELV-QGZVFWFLSA-N 2 2 385.346 2.698 20 0 GFADLP COc1nsc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000639121223 565227840 /nfs/dbraw/zinc/22/78/40/565227840.db2.gz NWJCVKAZIVUFDE-LLVKDONJSA-N 2 2 378.336 2.505 20 0 GFADLP COc1nsc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1Br ZINC000639121223 565227841 /nfs/dbraw/zinc/22/78/41/565227841.db2.gz NWJCVKAZIVUFDE-LLVKDONJSA-N 2 2 378.336 2.505 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617768232 565258726 /nfs/dbraw/zinc/25/87/26/565258726.db2.gz VDTHCRDUCHAANE-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617768232 565258727 /nfs/dbraw/zinc/25/87/27/565258727.db2.gz VDTHCRDUCHAANE-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP CCC1([NH+](C)C)CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000640017800 565274436 /nfs/dbraw/zinc/27/44/36/565274436.db2.gz QSRONWQEBQPUAT-UHFFFAOYSA-N 2 2 393.329 2.763 20 0 GFADLP O=C(CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151270 565351129 /nfs/dbraw/zinc/35/11/29/565351129.db2.gz HGAZZLVKLVRSTO-GOSISDBHSA-N 2 2 395.341 2.943 20 0 GFADLP O=C(CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151270 565351135 /nfs/dbraw/zinc/35/11/35/565351135.db2.gz HGAZZLVKLVRSTO-GOSISDBHSA-N 2 2 395.341 2.943 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296475 565358970 /nfs/dbraw/zinc/35/89/70/565358970.db2.gz KYJGEFYQYOOUMW-NVXWUHKLSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296475 565358976 /nfs/dbraw/zinc/35/89/76/565358976.db2.gz KYJGEFYQYOOUMW-NVXWUHKLSA-N 2 2 380.330 2.687 20 0 GFADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662377711 565364568 /nfs/dbraw/zinc/36/45/68/565364568.db2.gz OODCBOVHFZWZIW-UHFFFAOYSA-N 2 2 395.326 2.619 20 0 GFADLP [NH3+][C@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1Br ZINC000662623740 565379235 /nfs/dbraw/zinc/37/92/35/565379235.db2.gz ODXPLXNIPSEODY-INIZCTEOSA-N 2 2 389.297 2.761 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087216 565542633 /nfs/dbraw/zinc/54/26/33/565542633.db2.gz MYQVXLHENLJGEF-BMIGLBTASA-N 2 2 390.272 2.718 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087216 565542637 /nfs/dbraw/zinc/54/26/37/565542637.db2.gz MYQVXLHENLJGEF-BMIGLBTASA-N 2 2 390.272 2.718 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000666919662 565562382 /nfs/dbraw/zinc/56/23/82/565562382.db2.gz APWVHXXAUJFSEH-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc(Br)c1F ZINC000666919662 565562385 /nfs/dbraw/zinc/56/23/85/565562385.db2.gz APWVHXXAUJFSEH-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP Cn1c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)nc2ccc(Br)cc21 ZINC000646106185 565586318 /nfs/dbraw/zinc/58/63/18/565586318.db2.gz RQDZZLMYTQVPJQ-UHFFFAOYSA-N 2 2 393.329 2.632 20 0 GFADLP Cn1c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)nc2ccc(Br)cc21 ZINC000646106185 565586326 /nfs/dbraw/zinc/58/63/26/565586326.db2.gz RQDZZLMYTQVPJQ-UHFFFAOYSA-N 2 2 393.329 2.632 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265986 565614096 /nfs/dbraw/zinc/61/40/96/565614096.db2.gz KPQQBCDADBGDBH-XJKSGUPXSA-N 2 2 389.297 2.925 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265986 565614103 /nfs/dbraw/zinc/61/41/03/565614103.db2.gz KPQQBCDADBGDBH-XJKSGUPXSA-N 2 2 389.297 2.925 20 0 GFADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647056165 565634334 /nfs/dbraw/zinc/63/43/34/565634334.db2.gz UZRCIRAEJFKYCW-SJORKVTESA-N 2 2 392.341 2.844 20 0 GFADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1Cl ZINC000631082010 565940395 /nfs/dbraw/zinc/94/03/95/565940395.db2.gz FXIVYDAGNNMCGD-UHFFFAOYSA-N 2 2 385.961 2.874 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133723 566004953 /nfs/dbraw/zinc/00/49/53/566004953.db2.gz CZHRHPQOIGGBGD-HNNXBMFYSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133723 566004958 /nfs/dbraw/zinc/00/49/58/566004958.db2.gz CZHRHPQOIGGBGD-HNNXBMFYSA-N 2 2 386.323 2.657 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000678580792 566013966 /nfs/dbraw/zinc/01/39/66/566013966.db2.gz MUXCYAJGMWITTA-UKRRQHHQSA-N 2 2 376.302 2.746 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000678580792 566013969 /nfs/dbraw/zinc/01/39/69/566013969.db2.gz MUXCYAJGMWITTA-UKRRQHHQSA-N 2 2 376.302 2.746 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000655724408 566084662 /nfs/dbraw/zinc/08/46/62/566084662.db2.gz BRMVWWXSRMNGQJ-HNNXBMFYSA-N 2 2 399.329 2.809 20 0 GFADLP OC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655737158 566085301 /nfs/dbraw/zinc/08/53/01/566085301.db2.gz WGGACXAGOGIQAM-QZTJIDSGSA-N 2 2 383.330 2.716 20 0 GFADLP C[C@H](Nc1cc[nH+]cc1Br)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681386599 566104816 /nfs/dbraw/zinc/10/48/16/566104816.db2.gz CYVCKUIDPJNQDU-KBXCAEBGSA-N 2 2 376.298 2.967 20 0 GFADLP C[C@H](Nc1cc[nH+]cc1Br)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681386599 566104824 /nfs/dbraw/zinc/10/48/24/566104824.db2.gz CYVCKUIDPJNQDU-KBXCAEBGSA-N 2 2 376.298 2.967 20 0 GFADLP Ic1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611136035 566117738 /nfs/dbraw/zinc/11/77/38/566117738.db2.gz KHSKRVAHVGNTCD-BETUJISGSA-N 2 2 395.244 2.597 20 0 GFADLP Ic1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611136035 566117742 /nfs/dbraw/zinc/11/77/42/566117742.db2.gz KHSKRVAHVGNTCD-BETUJISGSA-N 2 2 395.244 2.597 20 0 GFADLP C[NH+](C)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000736765118 598722339 /nfs/dbraw/zinc/72/23/39/598722339.db2.gz UKDXQZLBJPFPKU-UHFFFAOYSA-N 2 2 389.410 2.547 20 0 GFADLP c1ccc(CC[N@@H+]2CC[C@@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779347 599528246 /nfs/dbraw/zinc/52/82/46/599528246.db2.gz ATRYARPPDUXMQS-SFHVURJKSA-N 2 2 399.502 2.813 20 0 GFADLP c1ccc(CC[N@H+]2CC[C@@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779347 599528248 /nfs/dbraw/zinc/52/82/48/599528248.db2.gz ATRYARPPDUXMQS-SFHVURJKSA-N 2 2 399.502 2.813 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826514045 607478671 /nfs/dbraw/zinc/47/86/71/607478671.db2.gz FQKYQMYPQOQKDG-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826514045 607478672 /nfs/dbraw/zinc/47/86/72/607478672.db2.gz FQKYQMYPQOQKDG-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826514045 607478673 /nfs/dbraw/zinc/47/86/73/607478673.db2.gz FQKYQMYPQOQKDG-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826514045 607478674 /nfs/dbraw/zinc/47/86/74/607478674.db2.gz FQKYQMYPQOQKDG-FXAWDEMLSA-N 2 2 382.512 2.584 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000823867953 608652556 /nfs/dbraw/zinc/65/25/56/608652556.db2.gz KQUYZIZAAFPXHL-MRXNPFEDSA-N 2 2 375.480 2.893 20 0 GFADLP Brc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000823820928 609365311 /nfs/dbraw/zinc/36/53/11/609365311.db2.gz MKUJYQJMKWGMKF-ZDUSSCGKSA-N 2 2 388.273 2.732 20 0 GFADLP Brc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000823820928 609365314 /nfs/dbraw/zinc/36/53/14/609365314.db2.gz MKUJYQJMKWGMKF-ZDUSSCGKSA-N 2 2 388.273 2.732 20 0 GFADLP [NH3+][C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)C1CC1 ZINC000832183144 660761057 /nfs/dbraw/zinc/76/10/57/660761057.db2.gz SULFPANBKUJWHW-KRWDZBQOSA-N 2 2 391.313 2.802 20 0 GFADLP CCCOc1c(Br)cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1OC ZINC000131439548 654907044 /nfs/dbraw/zinc/90/70/44/654907044.db2.gz PUQOHGCPWPRBEC-QGZVFWFLSA-N 2 2 389.334 2.649 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478452 655224859 /nfs/dbraw/zinc/22/48/59/655224859.db2.gz AAGXORMGYZZJSM-GDBMZVCRSA-N 2 2 382.346 2.680 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478452 655224861 /nfs/dbraw/zinc/22/48/61/655224861.db2.gz AAGXORMGYZZJSM-GDBMZVCRSA-N 2 2 382.346 2.680 20 0 GFADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185022191 655361835 /nfs/dbraw/zinc/36/18/35/655361835.db2.gz QQHBOTSXFKEBEA-CHWSQXEVSA-N 2 2 388.325 2.970 20 0 GFADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)COCc1cccs1 ZINC000517925873 655419225 /nfs/dbraw/zinc/41/92/25/655419225.db2.gz KRHKKNUSNGEXDO-QGZVFWFLSA-N 2 2 384.611 2.967 20 0 GFADLP O=C(C[NH2+]Cc1ccc(CSC(F)F)o1)NCC[NH+]1CCCCCC1 ZINC000816621083 660163091 /nfs/dbraw/zinc/16/30/91/660163091.db2.gz YKVUUFWGBTVUEO-UHFFFAOYSA-N 2 2 375.485 2.817 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092434 661367373 /nfs/dbraw/zinc/36/73/73/661367373.db2.gz CZMNFSNKUAYHOX-APWZRJJASA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000843092434 661367378 /nfs/dbraw/zinc/36/73/78/661367378.db2.gz CZMNFSNKUAYHOX-APWZRJJASA-N 2 2 393.325 2.565 20 0 GFADLP [NH3+][C@H](C(=O)NCCCCNc1cccc[nH+]1)c1cccc(Br)c1 ZINC000870883091 662704617 /nfs/dbraw/zinc/70/46/17/662704617.db2.gz ZKOSWNIFFLNTGJ-INIZCTEOSA-N 2 2 377.286 2.852 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075642 662755250 /nfs/dbraw/zinc/75/52/50/662755250.db2.gz TUFGCGGFYZLUFW-BHIYHBOVSA-N 2 2 397.357 2.963 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075642 662755252 /nfs/dbraw/zinc/75/52/52/662755252.db2.gz TUFGCGGFYZLUFW-BHIYHBOVSA-N 2 2 397.357 2.963 20 0 GFADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC000892892987 663388710 /nfs/dbraw/zinc/38/87/10/663388710.db2.gz JDZXWCGPTRNOIF-LLVKDONJSA-N 2 2 378.717 2.967 20 0 GFADLP Oc1cc(Br)cnc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000893305722 663406143 /nfs/dbraw/zinc/40/61/43/663406143.db2.gz UIFBBVQRQDORNV-UHFFFAOYSA-N 2 2 377.286 2.951 20 0 GFADLP Clc1cnc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(Cl)c1 ZINC000903732043 663805554 /nfs/dbraw/zinc/80/55/54/663805554.db2.gz CEUYWOSLOWEUFT-OAHLLOKOSA-N 2 2 385.339 2.669 20 0 GFADLP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000903955110 663813689 /nfs/dbraw/zinc/81/36/89/663813689.db2.gz KXEWVCQQZSJRTE-CYBMUJFWSA-N 2 2 385.256 2.969 20 0 GFADLP O[C@H](COc1ccc(Cl)cc1Br)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923381811 664629316 /nfs/dbraw/zinc/62/93/16/664629316.db2.gz PNBYWYSRZAMAFI-ZDUSSCGKSA-N 2 2 389.721 2.670 20 0 GFADLP Brc1cnn(C2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)c1 ZINC000927007856 664702256 /nfs/dbraw/zinc/70/22/56/664702256.db2.gz LPEKCBCCLCAFNQ-UHFFFAOYSA-N 2 2 390.329 2.784 20 0 GFADLP Cn1nnc2c1CCN(c1cc3ccccc3c[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714018 720172753 /nfs/dbraw/zinc/17/27/53/720172753.db2.gz NJDFRWZDGXXQHH-HXUWFJFHSA-N 2 2 392.507 2.580 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839291 720572860 /nfs/dbraw/zinc/57/28/60/720572860.db2.gz PUOYNSNTLSNIIH-VAMGGRTRSA-N 2 2 397.571 2.897 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839291 720572873 /nfs/dbraw/zinc/57/28/73/720572873.db2.gz PUOYNSNTLSNIIH-VAMGGRTRSA-N 2 2 397.571 2.897 20 0 GFADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC001165022155 721838759 /nfs/dbraw/zinc/83/87/59/721838759.db2.gz PSKCVRCLRQSLIS-UHFFFAOYSA-N 2 2 399.539 2.969 20 0 GFADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC001165022155 721838760 /nfs/dbraw/zinc/83/87/60/721838760.db2.gz PSKCVRCLRQSLIS-UHFFFAOYSA-N 2 2 399.539 2.969 20 0 GFADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983326 722147231 /nfs/dbraw/zinc/14/72/31/722147231.db2.gz UDKRMKKRCCUUIB-WOJBJXKFSA-N 2 2 379.508 2.785 20 0 GFADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983326 722147232 /nfs/dbraw/zinc/14/72/32/722147232.db2.gz UDKRMKKRCCUUIB-WOJBJXKFSA-N 2 2 379.508 2.785 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(Br)c3)CC2)CC1 ZINC000050798928 551161604 /nfs/dbraw/zinc/16/16/04/551161604.db2.gz RBJJOXRYOUOXHT-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP CC(C)OCC[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000093586335 551195301 /nfs/dbraw/zinc/19/53/01/551195301.db2.gz XUJVVTNEEONDBS-UHFFFAOYSA-N 2 2 381.318 2.639 20 0 GFADLP C[C@@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCOCC1 ZINC000120358646 551220271 /nfs/dbraw/zinc/22/02/71/551220271.db2.gz GRHGFNBCINATAA-AWEZNQCLSA-N 2 2 393.329 2.897 20 0 GFADLP CC[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000157485003 551538548 /nfs/dbraw/zinc/53/85/48/551538548.db2.gz NKLPYPDFFMCBAK-UHFFFAOYSA-N 2 2 388.375 2.885 20 0 GFADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC1 ZINC000157485003 551538551 /nfs/dbraw/zinc/53/85/51/551538551.db2.gz NKLPYPDFFMCBAK-UHFFFAOYSA-N 2 2 388.375 2.885 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179317527 552189565 /nfs/dbraw/zinc/18/95/65/552189565.db2.gz OGEDWOBQELEZIJ-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359547 552361561 /nfs/dbraw/zinc/36/15/61/552361561.db2.gz GRXGDASURDDMNE-KEYYUXOJSA-N 2 2 380.330 2.935 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359547 552361564 /nfs/dbraw/zinc/36/15/64/552361564.db2.gz GRXGDASURDDMNE-KEYYUXOJSA-N 2 2 380.330 2.935 20 0 GFADLP Brc1cncc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000186594386 552392067 /nfs/dbraw/zinc/39/20/67/552392067.db2.gz AQQHSXZCAKKZIC-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP C[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1cc[nH+]c1 ZINC000188711428 552453419 /nfs/dbraw/zinc/45/34/19/552453419.db2.gz PQLJTHMLYHJIMY-HNNXBMFYSA-N 2 2 393.329 2.908 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000189014093 552460667 /nfs/dbraw/zinc/46/06/67/552460667.db2.gz RQUHTRKHSOTCBU-UHFFFAOYSA-N 2 2 389.309 2.746 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000189014093 552460670 /nfs/dbraw/zinc/46/06/70/552460670.db2.gz RQUHTRKHSOTCBU-UHFFFAOYSA-N 2 2 389.309 2.746 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246284668 553105866 /nfs/dbraw/zinc/10/58/66/553105866.db2.gz AAGXORMGYZZJSM-ZBFHGGJFSA-N 2 2 382.346 2.680 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246284668 553105868 /nfs/dbraw/zinc/10/58/68/553105868.db2.gz AAGXORMGYZZJSM-ZBFHGGJFSA-N 2 2 382.346 2.680 20 0 GFADLP Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261674992 553155933 /nfs/dbraw/zinc/15/59/33/553155933.db2.gz HBQPAYPPGLMXMI-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)ccc(Br)c1F ZINC000281257137 563371085 /nfs/dbraw/zinc/37/10/85/563371085.db2.gz KBTCYJBGOJKRSO-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(F)ccc(Br)c1F ZINC000281257137 563371087 /nfs/dbraw/zinc/37/10/87/563371087.db2.gz KBTCYJBGOJKRSO-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(Br)c1O ZINC000278046423 563238242 /nfs/dbraw/zinc/23/82/42/563238242.db2.gz XUSXYESGYGUHAD-CYBMUJFWSA-N 2 2 387.318 2.754 20 0 GFADLP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(Br)c1O ZINC000278046423 563238243 /nfs/dbraw/zinc/23/82/43/563238243.db2.gz XUSXYESGYGUHAD-CYBMUJFWSA-N 2 2 387.318 2.754 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371218 563262687 /nfs/dbraw/zinc/26/26/87/563262687.db2.gz LPLBYGVVJHGBNX-INIZCTEOSA-N 2 2 386.359 2.545 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371218 563262690 /nfs/dbraw/zinc/26/26/90/563262690.db2.gz LPLBYGVVJHGBNX-INIZCTEOSA-N 2 2 386.359 2.545 20 0 GFADLP C[N@H+](CCOCC(F)(F)F)[C@@H]1CCC[NH+](CCOCC(F)(F)F)CC1 ZINC000371096584 563265292 /nfs/dbraw/zinc/26/52/92/563265292.db2.gz AOVDQFKXRCCUMJ-CYBMUJFWSA-N 2 2 380.373 2.931 20 0 GFADLP C[N@@H+](CCOCC(F)(F)F)[C@@H]1CCC[NH+](CCOCC(F)(F)F)CC1 ZINC000371096584 563265294 /nfs/dbraw/zinc/26/52/94/563265294.db2.gz AOVDQFKXRCCUMJ-CYBMUJFWSA-N 2 2 380.373 2.931 20 0 GFADLP C[NH+](CCOCC(F)(F)F)[C@@H]1CCC[N@H+](CCOCC(F)(F)F)CC1 ZINC000371096584 563265299 /nfs/dbraw/zinc/26/52/99/563265299.db2.gz AOVDQFKXRCCUMJ-CYBMUJFWSA-N 2 2 380.373 2.931 20 0 GFADLP C[NH+](CCOCC(F)(F)F)[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)CC1 ZINC000371096584 563265301 /nfs/dbraw/zinc/26/53/01/563265301.db2.gz AOVDQFKXRCCUMJ-CYBMUJFWSA-N 2 2 380.373 2.931 20 0 GFADLP CCn1cc[nH+]c1[C@@H](N[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423337801 563360083 /nfs/dbraw/zinc/36/00/83/563360083.db2.gz VWLMGFQRTDQQJU-RISCZKNCSA-N 2 2 384.265 2.534 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1F ZINC000375516457 563408221 /nfs/dbraw/zinc/40/82/21/563408221.db2.gz BLWHIALTFJSLEH-NCAQKEMTSA-N 2 2 395.276 2.992 20 0 GFADLP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353452 563537012 /nfs/dbraw/zinc/53/70/12/563537012.db2.gz KJADVHVGWLAKPC-CZUORRHYSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353452 563537013 /nfs/dbraw/zinc/53/70/13/563537013.db2.gz KJADVHVGWLAKPC-CZUORRHYSA-N 2 2 389.359 2.672 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]cc1Br ZINC000333650182 563638019 /nfs/dbraw/zinc/63/80/19/563638019.db2.gz KGBYMRJVCYBBDH-TZMCWYRMSA-N 2 2 396.333 2.858 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]cc1Br ZINC000333650182 563638022 /nfs/dbraw/zinc/63/80/22/563638022.db2.gz KGBYMRJVCYBBDH-TZMCWYRMSA-N 2 2 396.333 2.858 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000439431078 563723627 /nfs/dbraw/zinc/72/36/27/563723627.db2.gz LHQRBRGGXIIJAE-WFASDCNBSA-N 2 2 398.276 2.931 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000439431078 563723628 /nfs/dbraw/zinc/72/36/28/563723628.db2.gz LHQRBRGGXIIJAE-WFASDCNBSA-N 2 2 398.276 2.931 20 0 GFADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693804 563750084 /nfs/dbraw/zinc/75/00/84/563750084.db2.gz NCBYLDGHCRYWLL-CXAGYDPISA-N 2 2 386.323 2.564 20 0 GFADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414750750 563752002 /nfs/dbraw/zinc/75/20/02/563752002.db2.gz RQDNJXALIGSCLN-OAHLLOKOSA-N 2 2 383.334 2.868 20 0 GFADLP COc1cc(Br)c(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1O ZINC000414889573 563753601 /nfs/dbraw/zinc/75/36/01/563753601.db2.gz YLSOKMFTFMTZKA-UHFFFAOYSA-N 2 2 380.286 2.828 20 0 GFADLP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118790 563759696 /nfs/dbraw/zinc/75/96/96/563759696.db2.gz DZRXDXOTXVWFKE-GOEBONIOSA-N 2 2 382.346 2.702 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1C[NH3+] ZINC000415118790 563759698 /nfs/dbraw/zinc/75/96/98/563759698.db2.gz DZRXDXOTXVWFKE-GOEBONIOSA-N 2 2 382.346 2.702 20 0 GFADLP Cc1nn(C)c(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)c1Br ZINC000366730679 563817482 /nfs/dbraw/zinc/81/74/82/563817482.db2.gz QJENSTVORYGNPW-UHFFFAOYSA-N 2 2 392.345 2.683 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707493 563835830 /nfs/dbraw/zinc/83/58/30/563835830.db2.gz YBOLHAVBXINCKN-OAHLLOKOSA-N 2 2 382.346 2.742 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707493 563835832 /nfs/dbraw/zinc/83/58/32/563835832.db2.gz YBOLHAVBXINCKN-OAHLLOKOSA-N 2 2 382.346 2.742 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367690037 563852259 /nfs/dbraw/zinc/85/22/59/563852259.db2.gz SZGXEXFWGNDIMK-GFCCVEGCSA-N 2 2 391.322 2.911 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367690037 563852261 /nfs/dbraw/zinc/85/22/61/563852261.db2.gz SZGXEXFWGNDIMK-GFCCVEGCSA-N 2 2 391.322 2.911 20 0 GFADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000446134407 563859828 /nfs/dbraw/zinc/85/98/28/563859828.db2.gz BPNVLKMMMZTWTK-UHFFFAOYSA-N 2 2 394.317 2.723 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368074864 563863312 /nfs/dbraw/zinc/86/33/12/563863312.db2.gz KCCKRIKZZSJAIL-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275054 563891361 /nfs/dbraw/zinc/89/13/61/563891361.db2.gz UYTUWVGPQLYZAH-MRXNPFEDSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccccc3Br)C2)CC1 ZINC000369275054 563891362 /nfs/dbraw/zinc/89/13/62/563891362.db2.gz UYTUWVGPQLYZAH-MRXNPFEDSA-N 2 2 394.357 2.666 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])[nH+]c12 ZINC000418021984 563895574 /nfs/dbraw/zinc/89/55/74/563895574.db2.gz QKHPPLPNMPFHFS-IUODEOHRSA-N 2 2 394.317 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)[nH+]c12 ZINC000418023692 563896153 /nfs/dbraw/zinc/89/61/53/563896153.db2.gz MHSVQUSTGQBZCY-HNNXBMFYSA-N 2 2 396.333 2.920 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000541841678 564291867 /nfs/dbraw/zinc/29/18/67/564291867.db2.gz ANPHVMYAISTPBH-TZMCWYRMSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000541841678 564291872 /nfs/dbraw/zinc/29/18/72/564291872.db2.gz ANPHVMYAISTPBH-TZMCWYRMSA-N 2 2 394.317 2.687 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232082 564362822 /nfs/dbraw/zinc/36/28/22/564362822.db2.gz ANBHWNJBNIYZGV-RPVQJOFSSA-N 2 2 385.936 2.826 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567232082 564362826 /nfs/dbraw/zinc/36/28/26/564362826.db2.gz ANBHWNJBNIYZGV-RPVQJOFSSA-N 2 2 385.936 2.826 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544776198 564398664 /nfs/dbraw/zinc/39/86/64/564398664.db2.gz OVSMTZJIKMITRF-OAHLLOKOSA-N 2 2 394.317 2.689 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544776198 564398667 /nfs/dbraw/zinc/39/86/67/564398667.db2.gz OVSMTZJIKMITRF-OAHLLOKOSA-N 2 2 394.317 2.689 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3CCC(C)CC3)[nH+]c12 ZINC000545406720 564421782 /nfs/dbraw/zinc/42/17/82/564421782.db2.gz IJSLCYUKGWXNDO-UHFFFAOYSA-N 2 2 379.302 2.753 20 0 GFADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364955 564437552 /nfs/dbraw/zinc/43/75/52/564437552.db2.gz SJYKHUUGMVSKEH-WDEREUQCSA-N 2 2 380.341 2.633 20 0 GFADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479364955 564437556 /nfs/dbraw/zinc/43/75/56/564437556.db2.gz SJYKHUUGMVSKEH-WDEREUQCSA-N 2 2 380.341 2.633 20 0 GFADLP CC(=O)N1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000546058564 564441961 /nfs/dbraw/zinc/44/19/61/564441961.db2.gz XOYMNPSKJQIBRA-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNc2ncc(Cl)cc2Cl)CC1 ZINC000546622978 564462738 /nfs/dbraw/zinc/46/27/38/564462738.db2.gz RJVSQMJWIHYDTB-UHFFFAOYSA-N 2 2 389.327 2.808 20 0 GFADLP Brc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000548152112 564533038 /nfs/dbraw/zinc/53/30/38/564533038.db2.gz KJUYXNAWJVKBLQ-UHFFFAOYSA-N 2 2 390.281 2.938 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631583 564547555 /nfs/dbraw/zinc/54/75/55/564547555.db2.gz SMEBDRMHJYGKSD-SMDDNHRTSA-N 2 2 375.847 2.932 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631583 564547559 /nfs/dbraw/zinc/54/75/59/564547559.db2.gz SMEBDRMHJYGKSD-SMDDNHRTSA-N 2 2 375.847 2.932 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(I)s1 ZINC000518837967 564563892 /nfs/dbraw/zinc/56/38/92/564563892.db2.gz FINPCCRNGKTNHD-UHFFFAOYSA-N 2 2 376.267 2.775 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(I)s1 ZINC000518837967 564563897 /nfs/dbraw/zinc/56/38/97/564563897.db2.gz FINPCCRNGKTNHD-UHFFFAOYSA-N 2 2 376.267 2.775 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571797578 564566968 /nfs/dbraw/zinc/56/69/68/564566968.db2.gz XGLJQYUFKVOEIO-RYRKJORJSA-N 2 2 392.341 2.654 20 0 GFADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@@H+]1C ZINC000455860581 564575595 /nfs/dbraw/zinc/57/55/95/564575595.db2.gz FHWMOHKZFJTOJH-VXGBXAGGSA-N 2 2 384.322 2.857 20 0 GFADLP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@H+]1C ZINC000455860581 564575599 /nfs/dbraw/zinc/57/55/99/564575599.db2.gz FHWMOHKZFJTOJH-VXGBXAGGSA-N 2 2 384.322 2.857 20 0 GFADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455867537 564576661 /nfs/dbraw/zinc/57/66/61/564576661.db2.gz PCYGOYSYJHOHSL-UHFFFAOYSA-N 2 2 395.305 2.969 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573204010 564628217 /nfs/dbraw/zinc/62/82/17/564628217.db2.gz BOLIHLKQCNGSCM-BBRMVZONSA-N 2 2 382.892 2.960 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573204010 564628222 /nfs/dbraw/zinc/62/82/22/564628222.db2.gz BOLIHLKQCNGSCM-BBRMVZONSA-N 2 2 382.892 2.960 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685659 564756830 /nfs/dbraw/zinc/75/68/30/564756830.db2.gz AZJFEZQEMRGWAQ-DFHBCGBQSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685659 564756834 /nfs/dbraw/zinc/75/68/34/564756834.db2.gz AZJFEZQEMRGWAQ-DFHBCGBQSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000459710922 564757596 /nfs/dbraw/zinc/75/75/96/564757596.db2.gz UYKCNYOIWKDQKX-MRRJBJDNSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000459710922 564757599 /nfs/dbraw/zinc/75/75/99/564757599.db2.gz UYKCNYOIWKDQKX-MRRJBJDNSA-N 2 2 385.321 2.954 20 0 GFADLP Cc1csc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000490043692 564761422 /nfs/dbraw/zinc/76/14/22/564761422.db2.gz PVLHFOYSSANODI-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1csc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000490043692 564761426 /nfs/dbraw/zinc/76/14/26/564761426.db2.gz PVLHFOYSSANODI-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318151 564797460 /nfs/dbraw/zinc/79/74/60/564797460.db2.gz CVDPUBIXFUYNEU-DOMZBBRYSA-N 2 2 398.276 2.551 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000495254888 564852863 /nfs/dbraw/zinc/85/28/63/564852863.db2.gz PTKHWRFCYBGSIK-KRWDZBQOSA-N 2 2 398.320 2.793 20 0 GFADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465508 564882427 /nfs/dbraw/zinc/88/24/27/564882427.db2.gz UTWXWAXGRGDLCP-UWVGGRQHSA-N 2 2 389.308 2.503 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000583270977 564883123 /nfs/dbraw/zinc/88/31/23/564883123.db2.gz ISPDXLUIFKMRGQ-MRXNPFEDSA-N 2 2 385.346 2.568 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463818643 564890982 /nfs/dbraw/zinc/89/09/82/564890982.db2.gz PYZZXOYQEIMNFZ-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000463818643 564890987 /nfs/dbraw/zinc/89/09/87/564890987.db2.gz PYZZXOYQEIMNFZ-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP Oc1ccc(Br)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532724586 564943125 /nfs/dbraw/zinc/94/31/25/564943125.db2.gz OESXFSTWJCOQJB-LJQANCHMSA-N 2 2 391.309 2.881 20 0 GFADLP Oc1ccc(Br)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532724586 564943129 /nfs/dbraw/zinc/94/31/29/564943129.db2.gz OESXFSTWJCOQJB-LJQANCHMSA-N 2 2 391.309 2.881 20 0 GFADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288512 565056311 /nfs/dbraw/zinc/05/63/11/565056311.db2.gz FGRIFJBSYOGQEW-JKSUJKDBSA-N 2 2 386.309 2.969 20 0 GFADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288512 565056314 /nfs/dbraw/zinc/05/63/14/565056314.db2.gz FGRIFJBSYOGQEW-JKSUJKDBSA-N 2 2 386.309 2.969 20 0 GFADLP COc1sc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000657750598 565126726 /nfs/dbraw/zinc/12/67/26/565126726.db2.gz JJNKFYUDBPLYAR-LBPRGKRZSA-N 2 2 375.332 2.862 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329919 565212643 /nfs/dbraw/zinc/21/26/43/565212643.db2.gz MMXHUAOMADVDKS-KOFHJDLBSA-N 2 2 388.339 2.868 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659329919 565212649 /nfs/dbraw/zinc/21/26/49/565212649.db2.gz MMXHUAOMADVDKS-KOFHJDLBSA-N 2 2 388.339 2.868 20 0 GFADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1cccc(Cl)c1 ZINC000638991003 565219685 /nfs/dbraw/zinc/21/96/85/565219685.db2.gz SUFXURKDRWILFG-KRWDZBQOSA-N 2 2 376.913 2.604 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617767045 565258563 /nfs/dbraw/zinc/25/85/63/565258563.db2.gz DKJMIPXNHCMJDY-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617767045 565258566 /nfs/dbraw/zinc/25/85/66/565258566.db2.gz DKJMIPXNHCMJDY-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP Cc1sc(Br)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617764392 565258594 /nfs/dbraw/zinc/25/85/94/565258594.db2.gz VCGRIEPDDSXPSD-UHFFFAOYSA-N 2 2 376.364 2.741 20 0 GFADLP Cc1sc(Br)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000617764392 565258597 /nfs/dbraw/zinc/25/85/97/565258597.db2.gz VCGRIEPDDSXPSD-UHFFFAOYSA-N 2 2 376.364 2.741 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765932 565258621 /nfs/dbraw/zinc/25/86/21/565258621.db2.gz WKAUAQQILWDYQK-OAHLLOKOSA-N 2 2 384.362 2.627 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765932 565258623 /nfs/dbraw/zinc/25/86/23/565258623.db2.gz WKAUAQQILWDYQK-OAHLLOKOSA-N 2 2 384.362 2.627 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662279943 565357390 /nfs/dbraw/zinc/35/73/90/565357390.db2.gz BGIYWHWNPHIYCT-CVEARBPZSA-N 2 2 384.318 2.571 20 0 GFADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662542112 565376155 /nfs/dbraw/zinc/37/61/55/565376155.db2.gz NMNOKTVWQTVHIZ-UHFFFAOYSA-N 2 2 375.925 2.835 20 0 GFADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662542112 565376159 /nfs/dbraw/zinc/37/61/59/565376159.db2.gz NMNOKTVWQTVHIZ-UHFFFAOYSA-N 2 2 375.925 2.835 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@H](C)[NH+](C)C)[nH+]c12 ZINC000664647939 565471357 /nfs/dbraw/zinc/47/13/57/565471357.db2.gz WOTSIVYZUCLWTL-ZDUSSCGKSA-N 2 2 396.333 2.587 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895723 565496219 /nfs/dbraw/zinc/49/62/19/565496219.db2.gz TXXHFQAITHAMKU-ZQIUZPCESA-N 2 2 381.314 2.985 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000595895723 565496221 /nfs/dbraw/zinc/49/62/21/565496221.db2.gz TXXHFQAITHAMKU-ZQIUZPCESA-N 2 2 381.314 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)cc1Br ZINC000665598525 565505218 /nfs/dbraw/zinc/50/52/18/565505218.db2.gz HGKNPPWBLNPKFQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)cc1Br ZINC000665598525 565505220 /nfs/dbraw/zinc/50/52/20/565505220.db2.gz HGKNPPWBLNPKFQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652351 565530897 /nfs/dbraw/zinc/53/08/97/565530897.db2.gz SMVJUOUYTHJTHP-GWCFXTLKSA-N 2 2 394.684 2.801 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)ccc1Br ZINC000666324802 565531695 /nfs/dbraw/zinc/53/16/95/565531695.db2.gz OWHMFSHGBSUVRQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)ccc1Br ZINC000666324802 565531700 /nfs/dbraw/zinc/53/17/00/565531700.db2.gz OWHMFSHGBSUVRQ-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[C@@H]1[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC[N@@H+]1C ZINC000648900203 565738179 /nfs/dbraw/zinc/73/81/79/565738179.db2.gz LDRJYAUMSJRWHR-UKRRQHHQSA-N 2 2 395.301 2.608 20 0 GFADLP C[C@@H]1[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC[N@H+]1C ZINC000648900203 565738188 /nfs/dbraw/zinc/73/81/88/565738188.db2.gz LDRJYAUMSJRWHR-UKRRQHHQSA-N 2 2 395.301 2.608 20 0 GFADLP C[C@@]([NH3+])(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000649306391 565758983 /nfs/dbraw/zinc/75/89/83/565758983.db2.gz ONHZTKMHVDIFSB-IBGZPJMESA-N 2 2 388.309 2.755 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209552 565926111 /nfs/dbraw/zinc/92/61/11/565926111.db2.gz QEBGKPWUQKYABP-HNNXBMFYSA-N 2 2 381.318 2.739 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209552 565926114 /nfs/dbraw/zinc/92/61/14/565926114.db2.gz QEBGKPWUQKYABP-HNNXBMFYSA-N 2 2 381.318 2.739 20 0 GFADLP Cc1cccc2c(N[C@H]3CC[N@H+](Cc4ccccc4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410975 599122828 /nfs/dbraw/zinc/12/28/28/599122828.db2.gz WPQPWGDLJSQTIM-KRWDZBQOSA-N 2 2 385.475 2.832 20 0 GFADLP Cc1cccc2c(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410975 599122830 /nfs/dbraw/zinc/12/28/30/599122830.db2.gz WPQPWGDLJSQTIM-KRWDZBQOSA-N 2 2 385.475 2.832 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1Br ZINC000048402009 654706276 /nfs/dbraw/zinc/70/62/76/654706276.db2.gz MNLTUPVLEUDIGL-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1Br ZINC000048402009 654706281 /nfs/dbraw/zinc/70/62/81/654706281.db2.gz MNLTUPVLEUDIGL-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478449 655224870 /nfs/dbraw/zinc/22/48/70/655224870.db2.gz AAGXORMGYZZJSM-GOEBONIOSA-N 2 2 382.346 2.680 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478449 655224871 /nfs/dbraw/zinc/22/48/71/655224871.db2.gz AAGXORMGYZZJSM-GOEBONIOSA-N 2 2 382.346 2.680 20 0 GFADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245716904 655428300 /nfs/dbraw/zinc/42/83/00/655428300.db2.gz OTDIBGHBRUBQHJ-ARFHVFGLSA-N 2 2 376.372 2.976 20 0 GFADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245716904 655428301 /nfs/dbraw/zinc/42/83/01/655428301.db2.gz OTDIBGHBRUBQHJ-ARFHVFGLSA-N 2 2 376.372 2.976 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1Br ZINC000574802763 655431042 /nfs/dbraw/zinc/43/10/42/655431042.db2.gz GGGYJOXVDLTTGU-LLVKDONJSA-N 2 2 394.317 2.894 20 0 GFADLP C[N@@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693169 655871527 /nfs/dbraw/zinc/87/15/27/655871527.db2.gz UAMUQXBEGOGFKJ-IAGOWNOFSA-N 2 2 384.952 2.783 20 0 GFADLP C[N@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754693169 655871528 /nfs/dbraw/zinc/87/15/28/655871528.db2.gz UAMUQXBEGOGFKJ-IAGOWNOFSA-N 2 2 384.952 2.783 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841099064 661232269 /nfs/dbraw/zinc/23/22/69/661232269.db2.gz CPESBKWEAPYOEN-STQMWFEESA-N 2 2 380.842 2.811 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000841173199 661241339 /nfs/dbraw/zinc/24/13/39/661241339.db2.gz HOBZSAAQXCECIO-DLBZAZTESA-N 2 2 385.643 2.978 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000841173199 661241341 /nfs/dbraw/zinc/24/13/41/661241341.db2.gz HOBZSAAQXCECIO-DLBZAZTESA-N 2 2 385.643 2.978 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912382 661448985 /nfs/dbraw/zinc/44/89/85/661448985.db2.gz SZAPWYGJDYUWBY-FVQBIDKESA-N 2 2 393.329 2.958 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912382 661448986 /nfs/dbraw/zinc/44/89/86/661448986.db2.gz SZAPWYGJDYUWBY-FVQBIDKESA-N 2 2 393.329 2.958 20 0 GFADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000852122087 661853740 /nfs/dbraw/zinc/85/37/40/661853740.db2.gz GAGCBBDBJCSSHN-QGZVFWFLSA-N 2 2 385.346 2.555 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458916 663785193 /nfs/dbraw/zinc/78/51/93/663785193.db2.gz MYXWJRWOEKZXKB-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458916 663785194 /nfs/dbraw/zinc/78/51/94/663785194.db2.gz MYXWJRWOEKZXKB-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP Brc1ccc2c(c1)OCC[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766075 663806184 /nfs/dbraw/zinc/80/61/84/663806184.db2.gz OATCARWXKSNBDD-MRXNPFEDSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1ccc2c(c1)OCC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766075 663806185 /nfs/dbraw/zinc/80/61/85/663806185.db2.gz OATCARWXKSNBDD-MRXNPFEDSA-N 2 2 381.314 2.802 20 0 GFADLP CCn1c(Br)c(Br)nc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000921526433 664552242 /nfs/dbraw/zinc/55/22/42/664552242.db2.gz DMHYQMSOLWYOJO-SECBINFHSA-N 2 2 391.111 2.803 20 0 GFADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924776394 664661572 /nfs/dbraw/zinc/66/15/72/664661572.db2.gz DMSNPDYFTNQSBL-UHFFFAOYSA-N 2 2 381.571 2.540 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(F)ccc2SCC(F)F)CC1 ZINC000926042472 664679811 /nfs/dbraw/zinc/67/98/11/664679811.db2.gz IYNIUFFCUFXNGH-UHFFFAOYSA-N 2 2 376.448 2.728 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000926110871 664681978 /nfs/dbraw/zinc/68/19/78/664681978.db2.gz BXHIIERYHOQLBZ-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP Brc1ccc(C[N@H+](CCO[C@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000930445707 664770657 /nfs/dbraw/zinc/77/06/57/664770657.db2.gz JAMNQGIHBOSIGX-HNNXBMFYSA-N 2 2 384.274 2.546 20 0 GFADLP Brc1ccc(C[N@@H+](CCO[C@H]2CCOC2)CCn2cc[nH+]c2)o1 ZINC000930445707 664770659 /nfs/dbraw/zinc/77/06/59/664770659.db2.gz JAMNQGIHBOSIGX-HNNXBMFYSA-N 2 2 384.274 2.546 20 0 GFADLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000931355261 664792317 /nfs/dbraw/zinc/79/23/17/664792317.db2.gz PKODLTFIDWEVHF-OAHLLOKOSA-N 2 2 389.309 2.744 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)[nH+]1 ZINC001164647320 719306504 /nfs/dbraw/zinc/30/65/04/719306504.db2.gz LWNYMFRLGUJGIA-UHFFFAOYSA-N 2 2 383.544 2.787 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806402 720067090 /nfs/dbraw/zinc/06/70/90/720067090.db2.gz CBXUKAHJECFEQX-KNQAVFIVSA-N 2 2 385.556 2.792 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(NCC3CC3)c(C)c[nH+]1)C2 ZINC001164806402 720067098 /nfs/dbraw/zinc/06/70/98/720067098.db2.gz CBXUKAHJECFEQX-KNQAVFIVSA-N 2 2 385.556 2.792 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164840476 720657329 /nfs/dbraw/zinc/65/73/29/720657329.db2.gz MSHZLSVEKDAPJU-LJQANCHMSA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc[nH+]1 ZINC001164840476 720657343 /nfs/dbraw/zinc/65/73/43/720657343.db2.gz MSHZLSVEKDAPJU-LJQANCHMSA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164840476 720657351 /nfs/dbraw/zinc/65/73/51/720657351.db2.gz MSHZLSVEKDAPJU-LJQANCHMSA-N 2 2 381.524 2.803 20 0 GFADLP CN(C)c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]cn1 ZINC001164840476 720657358 /nfs/dbraw/zinc/65/73/58/720657358.db2.gz MSHZLSVEKDAPJU-LJQANCHMSA-N 2 2 381.524 2.803 20 0 GFADLP Cc1cc2ccccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]1 ZINC001164796744 721516323 /nfs/dbraw/zinc/51/63/23/721516323.db2.gz BCXXASSFYAWYRU-UHFFFAOYSA-N 2 2 376.508 2.507 20 0 GFADLP CN(C)c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906028 721584094 /nfs/dbraw/zinc/58/40/94/721584094.db2.gz YOFNUUSAAIGCFL-LJQANCHMSA-N 2 2 388.466 2.675 20 0 GFADLP CN(C)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc[nH+]1 ZINC001164906028 721584095 /nfs/dbraw/zinc/58/40/95/721584095.db2.gz YOFNUUSAAIGCFL-LJQANCHMSA-N 2 2 388.466 2.675 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164958725 722051926 /nfs/dbraw/zinc/05/19/26/722051926.db2.gz FYAIGNDOWRCQGP-UHFFFAOYSA-N 2 2 392.507 2.780 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164958725 722051928 /nfs/dbraw/zinc/05/19/28/722051928.db2.gz FYAIGNDOWRCQGP-UHFFFAOYSA-N 2 2 392.507 2.780 20 0 GFADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963788 722055530 /nfs/dbraw/zinc/05/55/30/722055530.db2.gz KWPWSUFMLDWBOZ-UHFFFAOYSA-N 2 2 382.508 2.913 20 0 GFADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963788 722055533 /nfs/dbraw/zinc/05/55/33/722055533.db2.gz KWPWSUFMLDWBOZ-UHFFFAOYSA-N 2 2 382.508 2.913 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)c(F)c1 ZINC000068332708 551191471 /nfs/dbraw/zinc/19/14/71/551191471.db2.gz XYYXWHWPQMYENS-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)c(F)c1 ZINC000068332708 551191473 /nfs/dbraw/zinc/19/14/73/551191473.db2.gz XYYXWHWPQMYENS-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000120351216 551220110 /nfs/dbraw/zinc/22/01/10/551220110.db2.gz BITYOLPRWIZOOE-WFASDCNBSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000120351216 551220113 /nfs/dbraw/zinc/22/01/13/551220113.db2.gz BITYOLPRWIZOOE-WFASDCNBSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000127770084 551344656 /nfs/dbraw/zinc/34/46/56/551344656.db2.gz HOFUYXOYJFXVFO-HNNXBMFYSA-N 2 2 379.551 2.535 20 0 GFADLP CCN(CC)S(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000154791247 551482704 /nfs/dbraw/zinc/48/27/04/551482704.db2.gz YCIQLJRPWDRSNM-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP Ic1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCO2 ZINC000155695396 551505684 /nfs/dbraw/zinc/50/56/84/551505684.db2.gz RMJIXCYSMVSNAY-AWEZNQCLSA-N 2 2 383.233 2.991 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000168954087 551634873 /nfs/dbraw/zinc/63/48/73/551634873.db2.gz YEHWBCNCNDMCMT-GOSISDBHSA-N 2 2 383.989 2.857 20 0 GFADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ncc(Br)s1 ZINC000179214746 552187375 /nfs/dbraw/zinc/18/73/75/552187375.db2.gz VUWMCGIJVUCBLV-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP COc1ccc(Br)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944500 552241467 /nfs/dbraw/zinc/24/14/67/552241467.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944500 552241471 /nfs/dbraw/zinc/24/14/71/552241471.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1ccc(Br)cc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180944500 552241476 /nfs/dbraw/zinc/24/14/76/552241476.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1ccc(Br)cc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180944500 552241480 /nfs/dbraw/zinc/24/14/80/552241480.db2.gz VRJONDOFYFYVGI-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000181055272 552244141 /nfs/dbraw/zinc/24/41/41/552244141.db2.gz CQQOHBGSNJNQEA-UHFFFAOYSA-N 2 2 376.309 2.986 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000181055272 552244142 /nfs/dbraw/zinc/24/41/42/552244142.db2.gz CQQOHBGSNJNQEA-UHFFFAOYSA-N 2 2 376.309 2.986 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225649 552410052 /nfs/dbraw/zinc/41/00/52/552410052.db2.gz RDAFNNYIPWPZGD-LLVKDONJSA-N 2 2 377.124 2.978 20 0 GFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225649 552410054 /nfs/dbraw/zinc/41/00/54/552410054.db2.gz RDAFNNYIPWPZGD-LLVKDONJSA-N 2 2 377.124 2.978 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000238152638 553086278 /nfs/dbraw/zinc/08/62/78/553086278.db2.gz VPLZFKUBDBGMKQ-UHFFFAOYSA-N 2 2 393.329 2.776 20 0 GFADLP C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000245571259 553093643 /nfs/dbraw/zinc/09/36/43/553093643.db2.gz GQYFWUDASYEBQS-UHOFOFEASA-N 2 2 377.286 2.755 20 0 GFADLP C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000245571259 553093644 /nfs/dbraw/zinc/09/36/44/553093644.db2.gz GQYFWUDASYEBQS-UHOFOFEASA-N 2 2 377.286 2.755 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)CSC(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163925 563235828 /nfs/dbraw/zinc/23/58/28/563235828.db2.gz QZRYWTGICLSWTB-GFCCVEGCSA-N 2 2 376.448 2.627 20 0 GFADLP O=C1[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348380 563262217 /nfs/dbraw/zinc/26/22/17/563262217.db2.gz LETVBYPURRHICN-AEFFLSMTSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348380 563262221 /nfs/dbraw/zinc/26/22/21/563262221.db2.gz LETVBYPURRHICN-AEFFLSMTSA-N 2 2 378.314 2.630 20 0 GFADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420358218 563263236 /nfs/dbraw/zinc/26/32/36/563263236.db2.gz FDAZMLRRWXGIAQ-RFXMVYNHSA-N 2 2 376.245 2.642 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(F)c3Br)CC2)CC1 ZINC000296100930 563274316 /nfs/dbraw/zinc/27/43/16/563274316.db2.gz RVJCMELHHKRXIR-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP COCc1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)no1 ZINC000297596536 563330441 /nfs/dbraw/zinc/33/04/41/563330441.db2.gz JQESXYJUCUQMDL-UHFFFAOYSA-N 2 2 379.258 2.872 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560059 563342305 /nfs/dbraw/zinc/34/23/05/563342305.db2.gz HNVPJBLVVMEWDZ-SDDRHHMPSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560059 563342308 /nfs/dbraw/zinc/34/23/08/563342308.db2.gz HNVPJBLVVMEWDZ-SDDRHHMPSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640087 563345278 /nfs/dbraw/zinc/34/52/78/563345278.db2.gz UWVALKRWLXYBEK-MCIONIFRSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640087 563345282 /nfs/dbraw/zinc/34/52/82/563345282.db2.gz UWVALKRWLXYBEK-MCIONIFRSA-N 2 2 389.359 2.528 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422944298 563351679 /nfs/dbraw/zinc/35/16/79/563351679.db2.gz LIIZCOFCJISMTM-LSDHHAIUSA-N 2 2 391.256 2.907 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000423092580 563354622 /nfs/dbraw/zinc/35/46/22/563354622.db2.gz CKVPAGCQYYOHQM-NWDGAFQWSA-N 2 2 380.657 2.923 20 0 GFADLP CCn1ccnc1[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423226947 563359652 /nfs/dbraw/zinc/35/96/52/563359652.db2.gz SWQQFRBLWZNBMG-WFASDCNBSA-N 2 2 398.292 2.924 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000375202487 563394759 /nfs/dbraw/zinc/39/47/59/563394759.db2.gz QSUZFQLVZTVFPH-OCCSQVGLSA-N 2 2 376.492 2.928 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000285788013 563537675 /nfs/dbraw/zinc/53/76/75/563537675.db2.gz XQXMYFOBOFCFRT-UHFFFAOYSA-N 2 2 376.258 2.646 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NCC3([NH+]4CCOCC4)CC3)c12 ZINC000409646278 563567311 /nfs/dbraw/zinc/56/73/11/563567311.db2.gz DAGVVVQQOWFWQU-UHFFFAOYSA-N 2 2 380.261 2.835 20 0 GFADLP C[C@@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375824 563595831 /nfs/dbraw/zinc/59/58/31/563595831.db2.gz RNCLAKZRDWKSOZ-GOEBONIOSA-N 2 2 387.343 2.647 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3F)CC2)CC1 ZINC000289681098 563682965 /nfs/dbraw/zinc/68/29/65/563682965.db2.gz DYJRFBFKVXJRFA-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP Clc1cnn([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069349 563696529 /nfs/dbraw/zinc/69/65/29/563696529.db2.gz YEYFAPRVEJKBNE-IAGOWNOFSA-N 2 2 383.327 2.970 20 0 GFADLP Clc1cnn([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069349 563696531 /nfs/dbraw/zinc/69/65/31/563696531.db2.gz YEYFAPRVEJKBNE-IAGOWNOFSA-N 2 2 383.327 2.970 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000439420451 563723884 /nfs/dbraw/zinc/72/38/84/563723884.db2.gz IZDSFHJNQCBDIN-INIZCTEOSA-N 2 2 398.276 2.862 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000414299501 563725315 /nfs/dbraw/zinc/72/53/15/563725315.db2.gz HXPFVEWCNIILQV-CQSZACIVSA-N 2 2 392.345 2.865 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)n1C ZINC000414349142 563728305 /nfs/dbraw/zinc/72/83/05/563728305.db2.gz JTQMKFYVZAZCBZ-ZDUSSCGKSA-N 2 2 378.318 2.617 20 0 GFADLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000364459094 563753691 /nfs/dbraw/zinc/75/36/91/563753691.db2.gz QSUQOLNIVBRPTR-RTBURBONSA-N 2 2 396.373 2.896 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000367348479 563841618 /nfs/dbraw/zinc/84/16/18/563841618.db2.gz OZMAZMWHLNTYBV-AWEZNQCLSA-N 2 2 379.913 2.634 20 0 GFADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417209371 563873235 /nfs/dbraw/zinc/87/32/35/563873235.db2.gz CCUAKNFHBVAGCP-AWEZNQCLSA-N 2 2 394.317 2.674 20 0 GFADLP Cc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000448978631 563904391 /nfs/dbraw/zinc/90/43/91/563904391.db2.gz YHOJLRIUMKBUAC-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000448978631 563904392 /nfs/dbraw/zinc/90/43/92/563904392.db2.gz YHOJLRIUMKBUAC-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942685 564181248 /nfs/dbraw/zinc/18/12/48/564181248.db2.gz AWVGLLFHYMIYCD-ZFWWWQNUSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000470942685 564181251 /nfs/dbraw/zinc/18/12/51/564181251.db2.gz AWVGLLFHYMIYCD-ZFWWWQNUSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000449686172 564197089 /nfs/dbraw/zinc/19/70/89/564197089.db2.gz VKXNNYOHRZWTST-VHDGCEQUSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000449686172 564197091 /nfs/dbraw/zinc/19/70/91/564197091.db2.gz VKXNNYOHRZWTST-VHDGCEQUSA-N 2 2 385.321 2.954 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)CC1 ZINC000540191697 564242097 /nfs/dbraw/zinc/24/20/97/564242097.db2.gz QUVIVJJOXJPAJX-CYBMUJFWSA-N 2 2 399.329 2.982 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729779 564247401 /nfs/dbraw/zinc/24/74/01/564247401.db2.gz TUKKODSBZPRBDX-DNVCBOLYSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729779 564247404 /nfs/dbraw/zinc/24/74/04/564247404.db2.gz TUKKODSBZPRBDX-DNVCBOLYSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729786 564247415 /nfs/dbraw/zinc/24/74/15/564247415.db2.gz TUKKODSBZPRBDX-KXBFYZLASA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729786 564247418 /nfs/dbraw/zinc/24/74/18/564247418.db2.gz TUKKODSBZPRBDX-KXBFYZLASA-N 2 2 394.357 2.872 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852587 564252471 /nfs/dbraw/zinc/25/24/71/564252471.db2.gz NGGSCQDPHNSLFL-ZBFHGGJFSA-N 2 2 394.313 2.861 20 0 GFADLP CCCC[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544683357 564394358 /nfs/dbraw/zinc/39/43/58/564394358.db2.gz NUCMGFSMRFFUQX-UHFFFAOYSA-N 2 2 396.333 2.936 20 0 GFADLP CCCC[N@@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544683357 564394362 /nfs/dbraw/zinc/39/43/62/564394362.db2.gz NUCMGFSMRFFUQX-UHFFFAOYSA-N 2 2 396.333 2.936 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568656677 564429090 /nfs/dbraw/zinc/42/90/90/564429090.db2.gz YDOJCALITFDNLX-UHFFFAOYSA-N 2 2 387.977 2.519 20 0 GFADLP CC[NH+](CC)CCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568656677 564429093 /nfs/dbraw/zinc/42/90/93/564429093.db2.gz YDOJCALITFDNLX-UHFFFAOYSA-N 2 2 387.977 2.519 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000545916740 564437621 /nfs/dbraw/zinc/43/76/21/564437621.db2.gz FLNFDIZUQPYJBK-UHFFFAOYSA-N 2 2 390.311 2.774 20 0 GFADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943669 564441536 /nfs/dbraw/zinc/44/15/36/564441536.db2.gz FHEPXQJWFUSQDJ-UKRRQHHQSA-N 2 2 382.917 2.500 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CCOC(C)C)[nH+]c12 ZINC000569096844 564449188 /nfs/dbraw/zinc/44/91/88/564449188.db2.gz OXKICXBHPYXWJI-INIZCTEOSA-N 2 2 384.318 2.713 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(I)cc1 ZINC000453261109 564451227 /nfs/dbraw/zinc/45/12/27/564451227.db2.gz JWDOECDPYGWSFN-XJKSGUPXSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(I)cc1 ZINC000453261109 564451228 /nfs/dbraw/zinc/45/12/28/564451228.db2.gz JWDOECDPYGWSFN-XJKSGUPXSA-N 2 2 388.293 2.789 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665784 564518797 /nfs/dbraw/zinc/51/87/97/564518797.db2.gz DJNPDPTZQCEIOI-OAUYIBNBSA-N 2 2 385.961 2.772 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665784 564518799 /nfs/dbraw/zinc/51/87/99/564518799.db2.gz DJNPDPTZQCEIOI-OAUYIBNBSA-N 2 2 385.961 2.772 20 0 GFADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387851 564533106 /nfs/dbraw/zinc/53/31/06/564533106.db2.gz OPXCIZLQPRLTEZ-HNNXBMFYSA-N 2 2 388.339 2.957 20 0 GFADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387851 564533108 /nfs/dbraw/zinc/53/31/08/564533108.db2.gz OPXCIZLQPRLTEZ-HNNXBMFYSA-N 2 2 388.339 2.957 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491385 564628282 /nfs/dbraw/zinc/62/82/82/564628282.db2.gz QXGQIHQNZNEYDP-VNHYZAJKSA-N 2 2 383.945 2.552 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@H](C)O1 ZINC000521491385 564628284 /nfs/dbraw/zinc/62/82/84/564628284.db2.gz QXGQIHQNZNEYDP-VNHYZAJKSA-N 2 2 383.945 2.552 20 0 GFADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c[nH+]1 ZINC000574558339 564679061 /nfs/dbraw/zinc/67/90/61/564679061.db2.gz DHJYSCOZWCHMRL-KRWDZBQOSA-N 2 2 379.551 2.685 20 0 GFADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(O)c2Br)ccn1 ZINC000459455067 564744592 /nfs/dbraw/zinc/74/45/92/564744592.db2.gz GCHSDWYOLYLXDM-UHFFFAOYSA-N 2 2 380.286 2.780 20 0 GFADLP C[C@@H]1CN(Cc2cccc(O)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459557276 564750650 /nfs/dbraw/zinc/75/06/50/564750650.db2.gz JHLFEMBIEZCOKG-CQSZACIVSA-N 2 2 382.346 2.755 20 0 GFADLP C[C@@H]1CN(Cc2cccc(O)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459557276 564750651 /nfs/dbraw/zinc/75/06/51/564750651.db2.gz JHLFEMBIEZCOKG-CQSZACIVSA-N 2 2 382.346 2.755 20 0 GFADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527672637 564753911 /nfs/dbraw/zinc/75/39/11/564753911.db2.gz BSBUQFGJMUGKHP-IRXDYDNUSA-N 2 2 386.309 2.841 20 0 GFADLP Brc1ccc(-c2nc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000489881420 564756298 /nfs/dbraw/zinc/75/62/98/564756298.db2.gz FQQHRCAQXDLHRB-QGZVFWFLSA-N 2 2 391.313 2.584 20 0 GFADLP Brc1ccc(-c2cnc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000489929962 564757594 /nfs/dbraw/zinc/75/75/94/564757594.db2.gz CRWNZSUIMXOIHZ-MRXNPFEDSA-N 2 2 391.313 2.584 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c(F)c1F ZINC000527729802 564758450 /nfs/dbraw/zinc/75/84/50/564758450.db2.gz MUBDZKHYSCXUEK-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c(F)c1F ZINC000527729802 564758452 /nfs/dbraw/zinc/75/84/52/564758452.db2.gz MUBDZKHYSCXUEK-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954490 564765235 /nfs/dbraw/zinc/76/52/35/564765235.db2.gz ZSAZBQSSKSBEPU-PBHICJAKSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527954490 564765236 /nfs/dbraw/zinc/76/52/36/564765236.db2.gz ZSAZBQSSKSBEPU-PBHICJAKSA-N 2 2 382.346 2.996 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000582427513 564846632 /nfs/dbraw/zinc/84/66/32/564846632.db2.gz AQTXOVYKYFEOPZ-VIFPVBQESA-N 2 2 386.091 2.908 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2Br)CC1 ZINC000462774434 564858128 /nfs/dbraw/zinc/85/81/28/564858128.db2.gz CESCQLFRJIDUEW-UHFFFAOYSA-N 2 2 399.329 2.965 20 0 GFADLP O[C@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000466375785 564939074 /nfs/dbraw/zinc/93/90/74/564939074.db2.gz YOKOLRZVDHLCST-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000466375785 564939076 /nfs/dbraw/zinc/93/90/76/564939076.db2.gz YOKOLRZVDHLCST-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536062050 565028123 /nfs/dbraw/zinc/02/81/23/565028123.db2.gz TZOBJFCHDPCIAE-CHWSQXEVSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536062050 565028126 /nfs/dbraw/zinc/02/81/26/565028126.db2.gz TZOBJFCHDPCIAE-CHWSQXEVSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067431 565029069 /nfs/dbraw/zinc/02/90/69/565029069.db2.gz QGMGZRJFBUXSPY-OLZOCXBDSA-N 2 2 377.286 2.999 20 0 GFADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067431 565029071 /nfs/dbraw/zinc/02/90/71/565029071.db2.gz QGMGZRJFBUXSPY-OLZOCXBDSA-N 2 2 377.286 2.999 20 0 GFADLP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000659313348 565211806 /nfs/dbraw/zinc/21/18/06/565211806.db2.gz AAYSIWYRUCVBFW-KRWDZBQOSA-N 2 2 388.339 2.826 20 0 GFADLP CSc1cc(Br)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763109 565257172 /nfs/dbraw/zinc/25/71/72/565257172.db2.gz FNEHUPIBHGFWPF-UHFFFAOYSA-N 2 2 388.375 2.784 20 0 GFADLP CSc1cc(Br)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763109 565257177 /nfs/dbraw/zinc/25/71/77/565257177.db2.gz FNEHUPIBHGFWPF-UHFFFAOYSA-N 2 2 388.375 2.784 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298745 565359419 /nfs/dbraw/zinc/35/94/19/565359419.db2.gz XKWQUAKPDATIST-CXAGYDPISA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298745 565359420 /nfs/dbraw/zinc/35/94/20/565359420.db2.gz XKWQUAKPDATIST-CXAGYDPISA-N 2 2 398.320 2.826 20 0 GFADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835626 565387025 /nfs/dbraw/zinc/38/70/25/565387025.db2.gz QLFNONQSHSMZPN-NWDGAFQWSA-N 2 2 384.343 2.861 20 0 GFADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1sc2c(c1Br)C[NH2+]C2 ZINC000662835626 565387030 /nfs/dbraw/zinc/38/70/30/565387030.db2.gz QLFNONQSHSMZPN-NWDGAFQWSA-N 2 2 384.343 2.861 20 0 GFADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788607 565400171 /nfs/dbraw/zinc/40/01/71/565400171.db2.gz TUFHGCNTFHEEPK-LPHOPBHVSA-N 2 2 396.373 2.896 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596410 565428070 /nfs/dbraw/zinc/42/80/70/565428070.db2.gz HHAIILWXEXZRTG-CYBMUJFWSA-N 2 2 380.334 2.697 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C4CC4)ncc3Br)C2)CC1 ZINC000663596410 565428076 /nfs/dbraw/zinc/42/80/76/565428076.db2.gz HHAIILWXEXZRTG-CYBMUJFWSA-N 2 2 380.334 2.697 20 0 GFADLP COc1ccc([C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C(C)C)c(Br)c1 ZINC000665293224 565496201 /nfs/dbraw/zinc/49/62/01/565496201.db2.gz VXTLJJNJIRGXOH-KRWDZBQOSA-N 2 2 395.301 2.899 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233375 565517775 /nfs/dbraw/zinc/51/77/75/565517775.db2.gz DCEJNFYIYKGQGM-AWEZNQCLSA-N 2 2 382.961 2.638 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233375 565517779 /nfs/dbraw/zinc/51/77/79/565517779.db2.gz DCEJNFYIYKGQGM-AWEZNQCLSA-N 2 2 382.961 2.638 20 0 GFADLP CSc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618848 565520732 /nfs/dbraw/zinc/52/07/32/565520732.db2.gz HQPRFIFCOGEQGN-AWEZNQCLSA-N 2 2 386.359 2.600 20 0 GFADLP CSc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618848 565520735 /nfs/dbraw/zinc/52/07/35/565520735.db2.gz HQPRFIFCOGEQGN-AWEZNQCLSA-N 2 2 386.359 2.600 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000623617712 565520898 /nfs/dbraw/zinc/52/08/98/565520898.db2.gz LIIONRGRVBHDBO-INIZCTEOSA-N 2 2 378.929 2.893 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000623617712 565520904 /nfs/dbraw/zinc/52/09/04/565520904.db2.gz LIIONRGRVBHDBO-INIZCTEOSA-N 2 2 378.929 2.893 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3c(F)cncc3Br)CC2)CC1 ZINC000667688375 565601690 /nfs/dbraw/zinc/60/16/90/565601690.db2.gz PNVLOHORULUFRM-UHFFFAOYSA-N 2 2 399.352 2.974 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccncc3Br)CC2)CC1 ZINC000625259535 565613005 /nfs/dbraw/zinc/61/30/05/565613005.db2.gz KRCCCGVWTCNPRX-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978657 565686090 /nfs/dbraw/zinc/68/60/90/565686090.db2.gz WIACTSNFXGXZLR-UXLLHSPISA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978657 565686092 /nfs/dbraw/zinc/68/60/92/565686092.db2.gz WIACTSNFXGXZLR-UXLLHSPISA-N 2 2 380.330 2.687 20 0 GFADLP CC[C@@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000669559431 565692335 /nfs/dbraw/zinc/69/23/35/565692335.db2.gz ZZUGYOFJVGSFAS-IUODEOHRSA-N 2 2 394.317 2.674 20 0 GFADLP C[NH+](C)C1CC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000670446463 565723427 /nfs/dbraw/zinc/72/34/27/565723427.db2.gz YFVGUGGXSSYORX-JCYILVPMSA-N 2 2 380.330 2.795 20 0 GFADLP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc(Br)c1OC ZINC000650715005 565832810 /nfs/dbraw/zinc/83/28/10/565832810.db2.gz LBVCJXKJULOFNC-CZUORRHYSA-N 2 2 387.318 2.652 20 0 GFADLP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc(Br)c1OC ZINC000650715005 565832813 /nfs/dbraw/zinc/83/28/13/565832813.db2.gz LBVCJXKJULOFNC-CZUORRHYSA-N 2 2 387.318 2.652 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798999 565846362 /nfs/dbraw/zinc/84/63/62/565846362.db2.gz ZZJWJPXOTGQRGN-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798999 565846366 /nfs/dbraw/zinc/84/63/66/565846366.db2.gz ZZJWJPXOTGQRGN-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560489 565859031 /nfs/dbraw/zinc/85/90/31/565859031.db2.gz FIJROPHXBDCVEA-KCPJHIHWSA-N 2 2 375.822 2.904 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@H]1C(F)(F)F ZINC000629560489 565859032 /nfs/dbraw/zinc/85/90/32/565859032.db2.gz FIJROPHXBDCVEA-KCPJHIHWSA-N 2 2 375.822 2.904 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564664 565859415 /nfs/dbraw/zinc/85/94/15/565859415.db2.gz IIVVRXNQJFUKHT-MRVWCRGKSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564664 565859418 /nfs/dbraw/zinc/85/94/18/565859418.db2.gz IIVVRXNQJFUKHT-MRVWCRGKSA-N 2 2 377.838 2.804 20 0 GFADLP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000652341190 565923574 /nfs/dbraw/zinc/92/35/74/565923574.db2.gz OLZCXOJLJRVBQO-SFHVURJKSA-N 2 2 388.309 2.753 20 0 GFADLP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000652341190 565923577 /nfs/dbraw/zinc/92/35/77/565923577.db2.gz OLZCXOJLJRVBQO-SFHVURJKSA-N 2 2 388.309 2.753 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716806 565946614 /nfs/dbraw/zinc/94/66/14/565946614.db2.gz YTGXEQLLMIXDBJ-IKGGRYGDSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716806 565946621 /nfs/dbraw/zinc/94/66/21/565946621.db2.gz YTGXEQLLMIXDBJ-IKGGRYGDSA-N 2 2 393.329 2.780 20 0 GFADLP CCc1c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n[nH]c1-c1ccc(Br)cc1 ZINC000653089215 565953998 /nfs/dbraw/zinc/95/39/98/565953998.db2.gz ATYQHWOTBXRCLX-CQSZACIVSA-N 2 2 394.317 2.619 20 0 GFADLP FC(F)(F)c1sccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000631657440 565966623 /nfs/dbraw/zinc/96/66/23/565966623.db2.gz WHZVNTGLYPCDSI-UHFFFAOYSA-N 2 2 377.476 2.653 20 0 GFADLP FC(F)(F)c1sccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000631657440 565966626 /nfs/dbraw/zinc/96/66/26/565966626.db2.gz WHZVNTGLYPCDSI-UHFFFAOYSA-N 2 2 377.476 2.653 20 0 GFADLP C[C@H](NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)C1CC[NH+](C)CC1 ZINC000653653613 565976312 /nfs/dbraw/zinc/97/63/12/565976312.db2.gz VCGJKALCUKDFPG-NSHDSACASA-N 2 2 384.322 2.762 20 0 GFADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000607729355 565989332 /nfs/dbraw/zinc/98/93/32/565989332.db2.gz TVHJUFVQFRJIJQ-UHFFFAOYSA-N 2 2 386.323 2.612 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)nc12 ZINC000655754157 566087123 /nfs/dbraw/zinc/08/71/23/566087123.db2.gz OJXHJYKJXDSBOX-QGZVFWFLSA-N 2 2 393.329 2.748 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1-c1nn[nH]n1 ZINC000826202681 607706933 /nfs/dbraw/zinc/70/69/33/607706933.db2.gz ILIJKRAHEYUYBU-OAHLLOKOSA-N 2 2 393.495 2.586 20 0 GFADLP CC(C)(C)OCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819950706 606765970 /nfs/dbraw/zinc/76/59/70/606765970.db2.gz LSZWKHGJOUOXII-UHFFFAOYSA-N 2 2 395.511 2.742 20 0 GFADLP CS[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000826227431 608382729 /nfs/dbraw/zinc/38/27/29/608382729.db2.gz QYTSZUFMVBVWJX-JKSUJKDBSA-N 2 2 383.525 2.514 20 0 GFADLP [NH3+][C@H](CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)C1CC1 ZINC000832183145 660761155 /nfs/dbraw/zinc/76/11/55/660761155.db2.gz SULFPANBKUJWHW-QGZVFWFLSA-N 2 2 391.313 2.802 20 0 GFADLP O=c1c(Br)nn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc12 ZINC000124193393 654772007 /nfs/dbraw/zinc/77/20/07/654772007.db2.gz MMPRNGTTZNFGEY-UHFFFAOYSA-N 2 2 388.269 2.650 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945635 654992344 /nfs/dbraw/zinc/99/23/44/654992344.db2.gz UFNQXEBZNXERQX-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000268945635 654992348 /nfs/dbraw/zinc/99/23/48/654992348.db2.gz UFNQXEBZNXERQX-CVEARBPZSA-N 2 2 396.329 2.592 20 0 GFADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3occc3Br)cn2)CC1 ZINC000735320767 655645292 /nfs/dbraw/zinc/64/52/92/655645292.db2.gz LZMAGQVWTKJKIR-UHFFFAOYSA-N 2 2 379.302 2.869 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793127 655889116 /nfs/dbraw/zinc/88/91/16/655889116.db2.gz YFZCXJFFNHSOJG-ZDUSSCGKSA-N 2 2 387.281 2.945 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793127 655889117 /nfs/dbraw/zinc/88/91/17/655889117.db2.gz YFZCXJFFNHSOJG-ZDUSSCGKSA-N 2 2 387.281 2.945 20 0 GFADLP Cn1nc(Br)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000787272415 657535763 /nfs/dbraw/zinc/53/57/63/657535763.db2.gz QLJODBIVAXHFLI-UHFFFAOYSA-N 2 2 385.350 2.507 20 0 GFADLP C[NH+]1CCC(CNC(=O)NCC[C@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000856868463 662048481 /nfs/dbraw/zinc/04/84/81/662048481.db2.gz ONBYWUNVYOTZLT-HNNXBMFYSA-N 2 2 391.387 2.820 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000865494547 662424914 /nfs/dbraw/zinc/42/49/14/662424914.db2.gz CXWPECBJCOFYHF-DLBZAZTESA-N 2 2 398.345 2.710 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412710 662471439 /nfs/dbraw/zinc/47/14/39/662471439.db2.gz BIDKSFGHFMNWAE-CJNGLKHVSA-N 2 2 398.345 2.601 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412710 662471441 /nfs/dbraw/zinc/47/14/41/662471441.db2.gz BIDKSFGHFMNWAE-CJNGLKHVSA-N 2 2 398.345 2.601 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000877976081 662887343 /nfs/dbraw/zinc/88/73/43/662887343.db2.gz LCKDBCPRVHPYJE-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000877976081 662887345 /nfs/dbraw/zinc/88/73/45/662887345.db2.gz LCKDBCPRVHPYJE-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570688 662929720 /nfs/dbraw/zinc/92/97/20/662929720.db2.gz DOUSKAXFZYEFHS-UWWQBHOKSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879570688 662929721 /nfs/dbraw/zinc/92/97/21/662929721.db2.gz DOUSKAXFZYEFHS-UWWQBHOKSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879570688 662929723 /nfs/dbraw/zinc/92/97/23/662929723.db2.gz DOUSKAXFZYEFHS-UWWQBHOKSA-N 2 2 394.357 2.822 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879570688 662929724 /nfs/dbraw/zinc/92/97/24/662929724.db2.gz DOUSKAXFZYEFHS-UWWQBHOKSA-N 2 2 394.357 2.822 20 0 GFADLP Cc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000894451815 663462447 /nfs/dbraw/zinc/46/24/47/663462447.db2.gz UVDLAOVWLHYDCK-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP Brc1cnc2n1C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000898723750 663661110 /nfs/dbraw/zinc/66/11/10/663661110.db2.gz IPJHNHBYYNRJAR-NSHDSACASA-N 2 2 378.299 2.997 20 0 GFADLP Brc1ccc([C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727138 663805072 /nfs/dbraw/zinc/80/50/72/663805072.db2.gz QWCDBTHBPNVFON-FGTMMUONSA-N 2 2 381.314 2.591 20 0 GFADLP Brc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903727138 663805074 /nfs/dbraw/zinc/80/50/74/663805074.db2.gz QWCDBTHBPNVFON-FGTMMUONSA-N 2 2 381.314 2.591 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3c(Br)cccc3C2)cnn1C ZINC000903888704 663810003 /nfs/dbraw/zinc/81/00/03/663810003.db2.gz JJFNBMUNKVHJIH-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3c(Br)cccc3C2)cnn1C ZINC000903888704 663810006 /nfs/dbraw/zinc/81/00/06/663810006.db2.gz JJFNBMUNKVHJIH-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916285 663811438 /nfs/dbraw/zinc/81/14/38/663811438.db2.gz SBJDNEJCRWPCDG-ZDUSSCGKSA-N 2 2 383.309 2.880 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916285 663811440 /nfs/dbraw/zinc/81/14/40/663811440.db2.gz SBJDNEJCRWPCDG-ZDUSSCGKSA-N 2 2 383.309 2.880 20 0 GFADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924946533 664664320 /nfs/dbraw/zinc/66/43/20/664664320.db2.gz UPNOTGIFKVKHNU-LLVKDONJSA-N 2 2 378.826 2.569 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925569196 664673128 /nfs/dbraw/zinc/67/31/28/664673128.db2.gz ZKOCNUIHJOJICN-INIZCTEOSA-N 2 2 380.330 2.672 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000926114935 664682164 /nfs/dbraw/zinc/68/21/64/664682164.db2.gz NKMIIOTZKYUVCI-UHFFFAOYSA-N 2 2 392.301 2.542 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806359 720066303 /nfs/dbraw/zinc/06/63/03/720066303.db2.gz BRIFOEXWFWCWJT-KNQAVFIVSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806359 720066312 /nfs/dbraw/zinc/06/63/12/720066312.db2.gz BRIFOEXWFWCWJT-KNQAVFIVSA-N 2 2 385.556 2.570 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744232 720812768 /nfs/dbraw/zinc/81/27/68/720812768.db2.gz IELXGJYVZFLTDW-SFHLNBCPSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(C(C)C)[nH+]1 ZINC001164744232 720812769 /nfs/dbraw/zinc/81/27/69/720812769.db2.gz IELXGJYVZFLTDW-SFHLNBCPSA-N 2 2 395.555 2.879 20 0 GFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748932 720857551 /nfs/dbraw/zinc/85/75/51/720857551.db2.gz MYHHWRDGDICOJP-QKNQBKEWSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@H]2C[C@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748932 720857553 /nfs/dbraw/zinc/85/75/53/720857553.db2.gz MYHHWRDGDICOJP-QKNQBKEWSA-N 2 2 378.524 2.930 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc[nH+]1 ZINC001164771435 721170629 /nfs/dbraw/zinc/17/06/29/721170629.db2.gz PRZCRQYINXNBMS-UXHICEINSA-N 2 2 397.571 2.795 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc[nH+]1 ZINC001164771435 721170633 /nfs/dbraw/zinc/17/06/33/721170633.db2.gz PRZCRQYINXNBMS-UXHICEINSA-N 2 2 397.571 2.795 20 0 GFADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc5c([nH+]4)CCCC5)C3)O2)CC1 ZINC001164889477 721404361 /nfs/dbraw/zinc/40/43/61/721404361.db2.gz QXMYSWQOGZGXQD-NZQKXSOJSA-N 2 2 384.568 2.726 20 0 GFADLP Cc1cccc2c(C)cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH+]c12 ZINC001164794692 721509459 /nfs/dbraw/zinc/50/94/59/721509459.db2.gz DEVUEMYNVPEWBM-UHFFFAOYSA-N 2 2 390.535 2.816 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794513 721523563 /nfs/dbraw/zinc/52/35/63/721523563.db2.gz FEEUHHXHYNELKA-SVFBPWRDSA-N 2 2 396.539 2.504 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794513 721523566 /nfs/dbraw/zinc/52/35/66/721523566.db2.gz FEEUHHXHYNELKA-SVFBPWRDSA-N 2 2 396.539 2.504 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[NH+](CCOc4ccccc4)CC3)[nH+]cc21 ZINC001165044691 721958968 /nfs/dbraw/zinc/95/89/68/721958968.db2.gz MNRYDNPFIINMNN-UHFFFAOYSA-N 2 2 394.475 2.941 20 0 GFADLP Cc1cccc2c1cc[nH+]c2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997619 722233927 /nfs/dbraw/zinc/23/39/27/722233927.db2.gz SGIQUQNFXSWSGD-UHFFFAOYSA-N 2 2 388.519 2.690 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)s3)CC2)CC1 ZINC000050801849 551161738 /nfs/dbraw/zinc/16/17/38/551161738.db2.gz WPYSLCOCLWLNDM-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000130407842 551365001 /nfs/dbraw/zinc/36/50/01/551365001.db2.gz BQBSQTXJZRACOP-OAHLLOKOSA-N 2 2 383.265 2.642 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000130407842 551365003 /nfs/dbraw/zinc/36/50/03/551365003.db2.gz BQBSQTXJZRACOP-OAHLLOKOSA-N 2 2 383.265 2.642 20 0 GFADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(I)cc1)C[NH+]1CCOCC1 ZINC000153309978 551450160 /nfs/dbraw/zinc/45/01/60/551450160.db2.gz PZTXFEYCWFJPNG-KBPBESRZSA-N 2 2 388.293 2.910 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000177151286 552150655 /nfs/dbraw/zinc/15/06/55/552150655.db2.gz MJYQADTXYUPMDR-MSOLQXFVSA-N 2 2 394.357 2.695 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000184935602 552348101 /nfs/dbraw/zinc/34/81/01/552348101.db2.gz XUCPJYALKFOCCW-INIZCTEOSA-N 2 2 394.313 2.893 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000184935602 552348099 /nfs/dbraw/zinc/34/80/99/552348099.db2.gz XUCPJYALKFOCCW-INIZCTEOSA-N 2 2 394.313 2.893 20 0 GFADLP Brc1cncc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000186579981 552391342 /nfs/dbraw/zinc/39/13/42/552391342.db2.gz DQFHQWKBYKJMHN-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP [NH3+]Cc1nc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cs1 ZINC000238035348 553085282 /nfs/dbraw/zinc/08/52/82/553085282.db2.gz BFSZSOQUPKQMIZ-CQSZACIVSA-N 2 2 382.892 2.961 20 0 GFADLP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000246602419 553110383 /nfs/dbraw/zinc/11/03/83/553110383.db2.gz HIUOUZRKKOKTJH-MAUKXSAKSA-N 2 2 383.330 2.527 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135545 /nfs/dbraw/zinc/13/55/45/553135545.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 2 392.341 2.971 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135546 /nfs/dbraw/zinc/13/55/46/553135546.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135548 /nfs/dbraw/zinc/13/55/48/553135548.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135549 /nfs/dbraw/zinc/13/55/49/553135549.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 2 392.341 2.971 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Br)cc1 ZINC000261681560 553156026 /nfs/dbraw/zinc/15/60/26/553156026.db2.gz GWZBVHAVMJVVBV-QGZVFWFLSA-N 2 2 377.286 2.752 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261681560 553156029 /nfs/dbraw/zinc/15/60/29/553156029.db2.gz GWZBVHAVMJVVBV-QGZVFWFLSA-N 2 2 377.286 2.752 20 0 GFADLP CO[C@H]1CC[NH+](Cc2cc(Br)ccc2C[N@H+]2CC[C@H](OC)C2)C1 ZINC000277646654 563218810 /nfs/dbraw/zinc/21/88/10/563218810.db2.gz YWTBUMCNJQXINO-ROUUACIJSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@H]1CC[NH+](Cc2cc(Br)ccc2C[N@@H+]2CC[C@H](OC)C2)C1 ZINC000277646654 563218815 /nfs/dbraw/zinc/21/88/15/563218815.db2.gz YWTBUMCNJQXINO-ROUUACIJSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@H]1CC[NH+](Cc2ccc(Br)cc2C[N@@H+]2CC[C@H](OC)C2)C1 ZINC000277646654 563218816 /nfs/dbraw/zinc/21/88/16/563218816.db2.gz YWTBUMCNJQXINO-ROUUACIJSA-N 2 2 383.330 2.891 20 0 GFADLP CO[C@H]1CC[NH+](Cc2ccc(Br)cc2C[N@H+]2CC[C@H](OC)C2)C1 ZINC000277646654 563218818 /nfs/dbraw/zinc/21/88/18/563218818.db2.gz YWTBUMCNJQXINO-ROUUACIJSA-N 2 2 383.330 2.891 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418553748 563219988 /nfs/dbraw/zinc/21/99/88/563219988.db2.gz MVBVVIBKBNJZOM-RHSMWYFYSA-N 2 2 397.361 2.965 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3c[nH+]c(N(C)C)n3C)nc12 ZINC000419679461 563245595 /nfs/dbraw/zinc/24/55/95/563245595.db2.gz FURCIJYTIKEYQI-UHFFFAOYSA-N 2 2 391.317 2.537 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000419736228 563248828 /nfs/dbraw/zinc/24/88/28/563248828.db2.gz WXPATKPATRUWCW-CQSZACIVSA-N 2 2 378.318 2.617 20 0 GFADLP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000371980608 563292689 /nfs/dbraw/zinc/29/26/89/563292689.db2.gz ZTTHQYXYECAWGA-HZPDHXFCSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000371980608 563292691 /nfs/dbraw/zinc/29/26/91/563292691.db2.gz ZTTHQYXYECAWGA-HZPDHXFCSA-N 2 2 385.599 2.611 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983317 563293202 /nfs/dbraw/zinc/29/32/02/563293202.db2.gz QLKYZQFWTDDDHN-OAHLLOKOSA-N 2 2 396.377 2.792 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000420983317 563293204 /nfs/dbraw/zinc/29/32/04/563293204.db2.gz QLKYZQFWTDDDHN-OAHLLOKOSA-N 2 2 396.377 2.792 20 0 GFADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280034711 563319384 /nfs/dbraw/zinc/31/93/84/563319384.db2.gz IJCTUHPEBQWXRG-LLVKDONJSA-N 2 2 380.341 2.777 20 0 GFADLP C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422759583 563349026 /nfs/dbraw/zinc/34/90/26/563349026.db2.gz LBSDRWGICUCENT-IUODEOHRSA-N 2 2 389.359 2.732 20 0 GFADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000423051132 563353731 /nfs/dbraw/zinc/35/37/31/563353731.db2.gz ZWMQLYUQOFYUTF-GUYCJALGSA-N 2 2 376.298 2.936 20 0 GFADLP Brc1cccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c21 ZINC000423121187 563356367 /nfs/dbraw/zinc/35/63/67/563356367.db2.gz IDZZYZGWSOLTAF-FUHWJXTLSA-N 2 2 378.314 2.830 20 0 GFADLP COc1cc2[nH+]ccc(N(C)CC[NH+]3CCOCC3)c2cc1Br ZINC000425228209 563413529 /nfs/dbraw/zinc/41/35/29/563413529.db2.gz PYXOBIIEMIBWIN-UHFFFAOYSA-N 2 2 380.286 2.774 20 0 GFADLP Fc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(Cl)c1Cl ZINC000377390743 563473176 /nfs/dbraw/zinc/47/31/76/563473176.db2.gz KJHUNGKPAUTAIO-AWEZNQCLSA-N 2 2 376.303 2.629 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378358108 563503587 /nfs/dbraw/zinc/50/35/87/563503587.db2.gz YERDQOOZCYBHDJ-GUYCJALGSA-N 2 2 380.330 2.924 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608621 563546954 /nfs/dbraw/zinc/54/69/54/563546954.db2.gz DYISBCFYQVRFQD-HOCLYGCPSA-N 2 2 382.346 2.727 20 0 GFADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608621 563546956 /nfs/dbraw/zinc/54/69/56/563546956.db2.gz DYISBCFYQVRFQD-HOCLYGCPSA-N 2 2 382.346 2.727 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000430905604 563550115 /nfs/dbraw/zinc/55/01/15/563550115.db2.gz FYFMBYXRKUNCKY-YOEHRIQHSA-N 2 2 382.346 2.900 20 0 GFADLP O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431159479 563555136 /nfs/dbraw/zinc/55/51/36/563555136.db2.gz OWVKFOQQHYIEBA-CRAIPNDOSA-N 2 2 393.281 2.737 20 0 GFADLP O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431159479 563555141 /nfs/dbraw/zinc/55/51/41/563555141.db2.gz OWVKFOQQHYIEBA-CRAIPNDOSA-N 2 2 393.281 2.737 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333359410 563628606 /nfs/dbraw/zinc/62/86/06/563628606.db2.gz SOAZMPNUHYKKIA-QWHCGFSZSA-N 2 2 396.333 2.764 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333363355 563629242 /nfs/dbraw/zinc/62/92/42/563629242.db2.gz TYRMJNFFODAUHS-MRXNPFEDSA-N 2 2 382.306 2.518 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378885 563706448 /nfs/dbraw/zinc/70/64/48/563706448.db2.gz DBDPQZVQSMPFKM-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378885 563706449 /nfs/dbraw/zinc/70/64/49/563706449.db2.gz DBDPQZVQSMPFKM-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000414068449 563717394 /nfs/dbraw/zinc/71/73/94/563717394.db2.gz JSQOSGRKVBWPKQ-QAPCUYQASA-N 2 2 392.341 2.762 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115878 563719607 /nfs/dbraw/zinc/71/96/07/563719607.db2.gz PWDJCVSTLVBQNL-YOEHRIQHSA-N 2 2 382.346 2.853 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000414115878 563719611 /nfs/dbraw/zinc/71/96/11/563719611.db2.gz PWDJCVSTLVBQNL-YOEHRIQHSA-N 2 2 382.346 2.853 20 0 GFADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737914 563751573 /nfs/dbraw/zinc/75/15/73/563751573.db2.gz DRXJDKQTHBNCSN-ZDUSSCGKSA-N 2 2 383.334 2.883 20 0 GFADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737914 563751576 /nfs/dbraw/zinc/75/15/76/563751576.db2.gz DRXJDKQTHBNCSN-ZDUSSCGKSA-N 2 2 383.334 2.883 20 0 GFADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415099950 563758488 /nfs/dbraw/zinc/75/84/88/563758488.db2.gz ZTLDTCOEGDNGDL-KRWDZBQOSA-N 2 2 392.297 2.501 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415091886 563759034 /nfs/dbraw/zinc/75/90/34/563759034.db2.gz DIJCSMNCEWZAFT-CMPLNLGQSA-N 2 2 379.810 2.654 20 0 GFADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000445891300 563855846 /nfs/dbraw/zinc/85/58/46/563855846.db2.gz UBICCLWEQHYYRZ-OAHLLOKOSA-N 2 2 377.476 2.959 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)c[nH+]c12 ZINC000368500838 563872384 /nfs/dbraw/zinc/87/23/84/563872384.db2.gz YPHAMYDBBDTWFN-GOEBONIOSA-N 2 2 377.286 2.552 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110387 563907108 /nfs/dbraw/zinc/90/71/08/563907108.db2.gz CPTRZLNTFHGFJW-INIZCTEOSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449110387 563907110 /nfs/dbraw/zinc/90/71/10/563907110.db2.gz CPTRZLNTFHGFJW-INIZCTEOSA-N 2 2 386.309 2.621 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000449686173 564196851 /nfs/dbraw/zinc/19/68/51/564196851.db2.gz VKXNNYOHRZWTST-YUELXQCFSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000449686173 564196853 /nfs/dbraw/zinc/19/68/53/564196853.db2.gz VKXNNYOHRZWTST-YUELXQCFSA-N 2 2 385.321 2.954 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Br)CC1 ZINC000507742305 564242061 /nfs/dbraw/zinc/24/20/61/564242061.db2.gz UWKSVUYLXWNIFA-HNNXBMFYSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533587 564285739 /nfs/dbraw/zinc/28/57/39/564285739.db2.gz ACNUXMVTFQLUJX-JHJVBQTASA-N 2 2 385.302 2.638 20 0 GFADLP CCOCC[NH+]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000544347271 564382914 /nfs/dbraw/zinc/38/29/14/564382914.db2.gz QHSHDYLVCIDRCI-UHFFFAOYSA-N 2 2 381.318 2.559 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683517 564383298 /nfs/dbraw/zinc/38/32/98/564383298.db2.gz PYZJHPWFQQSJJQ-CABCVRRESA-N 2 2 389.359 2.685 20 0 GFADLP Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000567865577 564393465 /nfs/dbraw/zinc/39/34/65/564393465.db2.gz ZQNLULIBHBGFAW-GFCCVEGCSA-N 2 2 376.448 2.756 20 0 GFADLP Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000567865577 564393470 /nfs/dbraw/zinc/39/34/70/564393470.db2.gz ZQNLULIBHBGFAW-GFCCVEGCSA-N 2 2 376.448 2.756 20 0 GFADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544857877 564401932 /nfs/dbraw/zinc/40/19/32/564401932.db2.gz XBYVRQRQVOCVHC-INIZCTEOSA-N 2 2 393.329 2.938 20 0 GFADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544857877 564401933 /nfs/dbraw/zinc/40/19/33/564401933.db2.gz XBYVRQRQVOCVHC-INIZCTEOSA-N 2 2 393.329 2.938 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC3CC[NH+](C)CC3)[nH+]c12 ZINC000546119170 564445428 /nfs/dbraw/zinc/44/54/28/564445428.db2.gz JMTPYEWTFJCCNS-UHFFFAOYSA-N 2 2 394.317 2.546 20 0 GFADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246137 564450474 /nfs/dbraw/zinc/45/04/74/564450474.db2.gz MIZBGQYTIPJCQY-XJKSGUPXSA-N 2 2 377.501 2.611 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054712 564466402 /nfs/dbraw/zinc/46/64/02/564466402.db2.gz MRWBUUDXIGRDHG-VBQJREDUSA-N 2 2 391.339 2.570 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054712 564466405 /nfs/dbraw/zinc/46/64/05/564466405.db2.gz MRWBUUDXIGRDHG-VBQJREDUSA-N 2 2 391.339 2.570 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272020 564466732 /nfs/dbraw/zinc/46/67/32/564466732.db2.gz BJJWYJDAOCFPLD-MLGOLLRUSA-N 2 2 399.354 2.742 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272020 564466735 /nfs/dbraw/zinc/46/67/35/564466735.db2.gz BJJWYJDAOCFPLD-MLGOLLRUSA-N 2 2 399.354 2.742 20 0 GFADLP O=C1[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724116 564476254 /nfs/dbraw/zinc/47/62/54/564476254.db2.gz YIABIOGNMMTAIN-WMZOPIPTSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724116 564476256 /nfs/dbraw/zinc/47/62/56/564476256.db2.gz YIABIOGNMMTAIN-WMZOPIPTSA-N 2 2 378.314 2.630 20 0 GFADLP C[C@H]1CC[N@H+](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000515669045 564484769 /nfs/dbraw/zinc/48/47/69/564484769.db2.gz USXBFVUSEDTATO-AWEZNQCLSA-N 2 2 395.301 2.609 20 0 GFADLP C[C@H]1CC[N@@H+](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000515669045 564484774 /nfs/dbraw/zinc/48/47/74/564484774.db2.gz USXBFVUSEDTATO-AWEZNQCLSA-N 2 2 395.301 2.609 20 0 GFADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000515644693 564484874 /nfs/dbraw/zinc/48/48/74/564484874.db2.gz HBRNUPSZLSAUPK-QWHCGFSZSA-N 2 2 398.305 2.576 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547654661 564506010 /nfs/dbraw/zinc/50/60/10/564506010.db2.gz WKBGGIXFKUACAB-WFASDCNBSA-N 2 2 377.286 2.967 20 0 GFADLP Cc1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000517535910 564535410 /nfs/dbraw/zinc/53/54/10/564535410.db2.gz MXKUXBCEXZJUKJ-JTQLQIEISA-N 2 2 375.698 2.518 20 0 GFADLP Cc1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000517535910 564535413 /nfs/dbraw/zinc/53/54/13/564535413.db2.gz MXKUXBCEXZJUKJ-JTQLQIEISA-N 2 2 375.698 2.518 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921292 564572720 /nfs/dbraw/zinc/57/27/20/564572720.db2.gz KJIYVDFBVMTVGB-KBXCAEBGSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(Br)cc1 ZINC000571921292 564572722 /nfs/dbraw/zinc/57/27/22/564572722.db2.gz KJIYVDFBVMTVGB-KBXCAEBGSA-N 2 2 380.330 2.702 20 0 GFADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000573455422 564638307 /nfs/dbraw/zinc/63/83/07/564638307.db2.gz PVXINXSGAVYARM-UHFFFAOYSA-N 2 2 377.330 2.933 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781202 564663672 /nfs/dbraw/zinc/66/36/72/564663672.db2.gz QMLZOFVHQCYSMX-BLLLJJGKSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000551781202 564663675 /nfs/dbraw/zinc/66/36/75/564663675.db2.gz QMLZOFVHQCYSMX-BLLLJJGKSA-N 2 2 378.460 2.929 20 0 GFADLP Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)sc1Br ZINC000486781193 564666172 /nfs/dbraw/zinc/66/61/72/564666172.db2.gz SOXNFDZXQZSXDY-BXUZGUMPSA-N 2 2 383.315 2.662 20 0 GFADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457943590 564680460 /nfs/dbraw/zinc/68/04/60/564680460.db2.gz KGPIVIDKJVRTRI-ZDUSSCGKSA-N 2 2 394.317 2.628 20 0 GFADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000457943590 564680463 /nfs/dbraw/zinc/68/04/63/564680463.db2.gz KGPIVIDKJVRTRI-ZDUSSCGKSA-N 2 2 394.317 2.628 20 0 GFADLP CC[N@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000553155024 564711457 /nfs/dbraw/zinc/71/14/57/564711457.db2.gz SQTFKVFMFOGWMW-UHFFFAOYSA-N 2 2 395.301 2.752 20 0 GFADLP CC[N@@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CC1 ZINC000553155024 564711460 /nfs/dbraw/zinc/71/14/60/564711460.db2.gz SQTFKVFMFOGWMW-UHFFFAOYSA-N 2 2 395.301 2.752 20 0 GFADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459521357 564749150 /nfs/dbraw/zinc/74/91/50/564749150.db2.gz HAQKHZRYEHVXCP-UHFFFAOYSA-N 2 2 378.270 2.881 20 0 GFADLP Brc1cccc(-c2cnc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489883580 564756524 /nfs/dbraw/zinc/75/65/24/564756524.db2.gz MHBTVMNJRNQYDU-INIZCTEOSA-N 2 2 391.313 2.584 20 0 GFADLP O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793582 564760999 /nfs/dbraw/zinc/76/09/99/564760999.db2.gz LEPDJBUVPMDBIQ-RLFYNMQTSA-N 2 2 379.957 2.783 20 0 GFADLP O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793582 564761001 /nfs/dbraw/zinc/76/10/01/564761001.db2.gz LEPDJBUVPMDBIQ-RLFYNMQTSA-N 2 2 379.957 2.783 20 0 GFADLP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000490038547 564761513 /nfs/dbraw/zinc/76/15/13/564761513.db2.gz HZYYXFXFVAZDAW-SNVBAGLBSA-N 2 2 376.448 2.556 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318153 564797328 /nfs/dbraw/zinc/79/73/28/564797328.db2.gz CVDPUBIXFUYNEU-SWLSCSKDSA-N 2 2 398.276 2.551 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@@H](C[NH3+])C1 ZINC000528704590 564801592 /nfs/dbraw/zinc/80/15/92/564801592.db2.gz JRULUAWSMALYSD-ZDUSSCGKSA-N 2 2 377.286 2.709 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cccc3cccc(Br)c32)[C@@H](C[NH3+])C1 ZINC000528704590 564801595 /nfs/dbraw/zinc/80/15/95/564801595.db2.gz JRULUAWSMALYSD-ZDUSSCGKSA-N 2 2 377.286 2.709 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698283 564836809 /nfs/dbraw/zinc/83/68/09/564836809.db2.gz UXJBXHHUQPBMET-SUMWQHHRSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000494698283 564836811 /nfs/dbraw/zinc/83/68/11/564836811.db2.gz UXJBXHHUQPBMET-SUMWQHHRSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494999683 564845974 /nfs/dbraw/zinc/84/59/74/564845974.db2.gz VGARWHCHBHQHAE-OKILXGFUSA-N 2 2 385.350 2.504 20 0 GFADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494999683 564845977 /nfs/dbraw/zinc/84/59/77/564845977.db2.gz VGARWHCHBHQHAE-OKILXGFUSA-N 2 2 385.350 2.504 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000556948442 564848073 /nfs/dbraw/zinc/84/80/73/564848073.db2.gz LSZKOTRXBHDYNU-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000556948442 564848077 /nfs/dbraw/zinc/84/80/77/564848077.db2.gz LSZKOTRXBHDYNU-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000582557599 564852109 /nfs/dbraw/zinc/85/21/09/564852109.db2.gz NYFPCPZVIJGHPF-MRXNPFEDSA-N 2 2 377.286 2.695 20 0 GFADLP O=c1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccc(Br)cn12 ZINC000533389718 564961459 /nfs/dbraw/zinc/96/14/59/564961459.db2.gz OQWCOIIHUVHPOC-GFCCVEGCSA-N 2 2 388.269 2.560 20 0 GFADLP O=c1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccc(Br)cn12 ZINC000533389718 564961461 /nfs/dbraw/zinc/96/14/61/564961461.db2.gz OQWCOIIHUVHPOC-GFCCVEGCSA-N 2 2 388.269 2.560 20 0 GFADLP Cc1ccc(CCC[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)c[nH+]1 ZINC000467519869 564966421 /nfs/dbraw/zinc/96/64/21/564966421.db2.gz SAFBHKSKJIKQTK-UHFFFAOYSA-N 2 2 381.929 2.934 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639166385 565230207 /nfs/dbraw/zinc/23/02/07/565230207.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639166385 565230212 /nfs/dbraw/zinc/23/02/12/565230212.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccco1 ZINC000639166385 565230220 /nfs/dbraw/zinc/23/02/20/565230220.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 2 2 385.917 2.534 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cncc2Br)s1 ZINC000617763096 565257217 /nfs/dbraw/zinc/25/72/17/565257217.db2.gz FDLLOLASOXBCMI-UHFFFAOYSA-N 2 2 399.358 2.672 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cncc2Br)s1 ZINC000617763096 565257219 /nfs/dbraw/zinc/25/72/19/565257219.db2.gz FDLLOLASOXBCMI-UHFFFAOYSA-N 2 2 399.358 2.672 20 0 GFADLP Cc1[nH+]ccc(NC([O-])=[NH+]c2cnn(C3CC[NH+](C)CC3)c2)c1Br ZINC000640042988 565276484 /nfs/dbraw/zinc/27/64/84/565276484.db2.gz RZOLMGXXUWWHIK-UHFFFAOYSA-N 2 2 393.289 2.682 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709800 565290610 /nfs/dbraw/zinc/29/06/10/565290610.db2.gz BGFPXQYIVIWUKT-INIZCTEOSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709800 565290614 /nfs/dbraw/zinc/29/06/14/565290614.db2.gz BGFPXQYIVIWUKT-INIZCTEOSA-N 2 2 385.339 2.961 20 0 GFADLP Cc1cccc2[nH+]c(CNC(=O)c3sc4c(c3Br)C[NH2+]C4)cn21 ZINC000662453118 565368381 /nfs/dbraw/zinc/36/83/81/565368381.db2.gz OVIPHDHOPQIQQZ-UHFFFAOYSA-N 2 2 391.294 3.000 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788608 565399449 /nfs/dbraw/zinc/39/94/49/565399449.db2.gz TUFHGCNTFHEEPK-QFBILLFUSA-N 2 2 396.373 2.896 20 0 GFADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621260712 565413383 /nfs/dbraw/zinc/41/33/83/565413383.db2.gz NDEDGJBKLRIKPU-OAHLLOKOSA-N 2 2 386.334 2.785 20 0 GFADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)ncc2Br)C1 ZINC000621260712 565413385 /nfs/dbraw/zinc/41/33/85/565413385.db2.gz NDEDGJBKLRIKPU-OAHLLOKOSA-N 2 2 386.334 2.785 20 0 GFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363955 565414900 /nfs/dbraw/zinc/41/49/00/565414900.db2.gz DJEGEPXYZWLXGN-ZIAGYGMSSA-N 2 2 391.737 2.916 20 0 GFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363955 565414904 /nfs/dbraw/zinc/41/49/04/565414904.db2.gz DJEGEPXYZWLXGN-ZIAGYGMSSA-N 2 2 391.737 2.916 20 0 GFADLP CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000664661506 565472521 /nfs/dbraw/zinc/47/25/21/565472521.db2.gz WYNQLBVSRTXMBW-OAHLLOKOSA-N 2 2 394.317 2.641 20 0 GFADLP CCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000664661506 565472528 /nfs/dbraw/zinc/47/25/28/565472528.db2.gz WYNQLBVSRTXMBW-OAHLLOKOSA-N 2 2 394.317 2.641 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233381 565518023 /nfs/dbraw/zinc/51/80/23/565518023.db2.gz DCEJNFYIYKGQGM-CQSZACIVSA-N 2 2 382.961 2.638 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4sc(Cl)cc4C3)C2)CC1 ZINC000645233381 565518025 /nfs/dbraw/zinc/51/80/25/565518025.db2.gz DCEJNFYIYKGQGM-CQSZACIVSA-N 2 2 382.961 2.638 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946407 565563560 /nfs/dbraw/zinc/56/35/60/565563560.db2.gz AKIDUJLJFCGGDS-HOCLYGCPSA-N 2 2 398.320 2.652 20 0 GFADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214260 565590500 /nfs/dbraw/zinc/59/05/00/565590500.db2.gz QDGAZJRFXQSPMT-UONOGXRCSA-N 2 2 387.355 2.989 20 0 GFADLP COc1cc(Br)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000648071718 565690017 /nfs/dbraw/zinc/69/00/17/565690017.db2.gz QNCKSICIWVJWGL-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP COc1cc(Br)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000648071718 565690023 /nfs/dbraw/zinc/69/00/23/565690023.db2.gz QNCKSICIWVJWGL-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP C[NH+](C)C1CC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000670446464 565724414 /nfs/dbraw/zinc/72/44/14/565724414.db2.gz YFVGUGGXSSYORX-OFLPRAFFSA-N 2 2 380.330 2.795 20 0 GFADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)ccc1I ZINC000600729268 565747206 /nfs/dbraw/zinc/74/72/06/565747206.db2.gz UVOCPFIIAFACFD-UHFFFAOYSA-N 2 2 382.673 2.612 20 0 GFADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)ccc1I ZINC000600729268 565747213 /nfs/dbraw/zinc/74/72/13/565747213.db2.gz UVOCPFIIAFACFD-UHFFFAOYSA-N 2 2 382.673 2.612 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798701 565846999 /nfs/dbraw/zinc/84/69/99/565846999.db2.gz ITKLQGZGKMCMGZ-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798701 565847003 /nfs/dbraw/zinc/84/70/03/565847003.db2.gz ITKLQGZGKMCMGZ-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563280 565859356 /nfs/dbraw/zinc/85/93/56/565859356.db2.gz DNYZILPLERJPKN-KYOSRNDESA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563280 565859360 /nfs/dbraw/zinc/85/93/60/565859360.db2.gz DNYZILPLERJPKN-KYOSRNDESA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007355 565993393 /nfs/dbraw/zinc/99/33/93/565993393.db2.gz WANGQCITKHBFAT-YOEHRIQHSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007355 565993398 /nfs/dbraw/zinc/99/33/98/565993398.db2.gz WANGQCITKHBFAT-YOEHRIQHSA-N 2 2 394.357 2.837 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC[N@@H+]1C ZINC000632439915 566033869 /nfs/dbraw/zinc/03/38/69/566033869.db2.gz MNYAIEWHKRRTDA-JKSUJKDBSA-N 2 2 393.329 2.794 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC[N@H+]1C ZINC000632439915 566033875 /nfs/dbraw/zinc/03/38/75/566033875.db2.gz MNYAIEWHKRRTDA-JKSUJKDBSA-N 2 2 393.329 2.794 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679341644 566038645 /nfs/dbraw/zinc/03/86/45/566038645.db2.gz URYXAOCOPPEEBV-KZNAEPCWSA-N 2 2 382.346 2.505 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679341644 566038649 /nfs/dbraw/zinc/03/86/49/566038649.db2.gz URYXAOCOPPEEBV-KZNAEPCWSA-N 2 2 382.346 2.505 20 0 GFADLP C[C@@H](Nc1cc[nH+]cc1Br)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681386602 566104961 /nfs/dbraw/zinc/10/49/61/566104961.db2.gz CYVCKUIDPJNQDU-RDTXWAMCSA-N 2 2 376.298 2.967 20 0 GFADLP C[C@@H](Nc1cc[nH+]cc1Br)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681386602 566104966 /nfs/dbraw/zinc/10/49/66/566104966.db2.gz CYVCKUIDPJNQDU-RDTXWAMCSA-N 2 2 376.298 2.967 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000657071557 566218028 /nfs/dbraw/zinc/21/80/28/566218028.db2.gz QERQMAKQUHXYHN-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000657071557 566218033 /nfs/dbraw/zinc/21/80/33/566218033.db2.gz QERQMAKQUHXYHN-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826181472 607464800 /nfs/dbraw/zinc/46/48/00/607464800.db2.gz ACYWTDVANNBFTL-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000826181472 607464802 /nfs/dbraw/zinc/46/48/02/607464802.db2.gz ACYWTDVANNBFTL-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521258 607512020 /nfs/dbraw/zinc/51/20/20/607512020.db2.gz GISVZDJKUPTNKU-JOCHJYFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521258 607512021 /nfs/dbraw/zinc/51/20/21/607512021.db2.gz GISVZDJKUPTNKU-JOCHJYFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521258 607512022 /nfs/dbraw/zinc/51/20/22/607512022.db2.gz GISVZDJKUPTNKU-JOCHJYFZSA-N 2 2 389.507 2.750 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccnc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000826521258 607512023 /nfs/dbraw/zinc/51/20/23/607512023.db2.gz GISVZDJKUPTNKU-JOCHJYFZSA-N 2 2 389.507 2.750 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826182261 607615663 /nfs/dbraw/zinc/61/56/63/607615663.db2.gz FVYBCAYHNYDPMI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826182261 607615664 /nfs/dbraw/zinc/61/56/64/607615664.db2.gz FVYBCAYHNYDPMI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826182261 607615665 /nfs/dbraw/zinc/61/56/65/607615665.db2.gz FVYBCAYHNYDPMI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826182261 607615666 /nfs/dbraw/zinc/61/56/66/607615666.db2.gz FVYBCAYHNYDPMI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826182260 607615678 /nfs/dbraw/zinc/61/56/78/607615678.db2.gz FVYBCAYHNYDPMI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826182260 607615679 /nfs/dbraw/zinc/61/56/79/607615679.db2.gz FVYBCAYHNYDPMI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826182260 607615680 /nfs/dbraw/zinc/61/56/80/607615680.db2.gz FVYBCAYHNYDPMI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826182260 607615681 /nfs/dbraw/zinc/61/56/81/607615681.db2.gz FVYBCAYHNYDPMI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821808527 606480368 /nfs/dbraw/zinc/48/03/68/606480368.db2.gz HQPNDFCPTRDRJB-JXFKEZNVSA-N 2 2 392.507 2.876 20 0 GFADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821808527 606480369 /nfs/dbraw/zinc/48/03/69/606480369.db2.gz HQPNDFCPTRDRJB-JXFKEZNVSA-N 2 2 392.507 2.876 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168897 608356871 /nfs/dbraw/zinc/35/68/71/608356871.db2.gz BNQLHQSLFADDGX-KRWDZBQOSA-N 2 2 384.528 2.819 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168897 608356873 /nfs/dbraw/zinc/35/68/73/608356873.db2.gz BNQLHQSLFADDGX-KRWDZBQOSA-N 2 2 384.528 2.819 20 0 GFADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824618626 609133481 /nfs/dbraw/zinc/13/34/81/609133481.db2.gz QHMJMKDDRNENEJ-HNNXBMFYSA-N 2 2 396.470 2.689 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306149 660368141 /nfs/dbraw/zinc/36/81/41/660368141.db2.gz RASPXZBGYCHSHI-KRWDZBQOSA-N 2 2 388.339 2.511 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000823306149 660368143 /nfs/dbraw/zinc/36/81/43/660368143.db2.gz RASPXZBGYCHSHI-KRWDZBQOSA-N 2 2 388.339 2.511 20 0 GFADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000125094741 654787419 /nfs/dbraw/zinc/78/74/19/654787419.db2.gz BQJONZLPBQNASJ-MRXNPFEDSA-N 2 2 379.595 2.920 20 0 GFADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000365478999 655394202 /nfs/dbraw/zinc/39/42/02/655394202.db2.gz DKRDQHBPXRPYEL-MRXNPFEDSA-N 2 2 396.373 2.896 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693170 655871536 /nfs/dbraw/zinc/87/15/36/655871536.db2.gz UAMUQXBEGOGFKJ-IRXDYDNUSA-N 2 2 384.952 2.783 20 0 GFADLP C[N@H+]1CC[C@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754693170 655871537 /nfs/dbraw/zinc/87/15/37/655871537.db2.gz UAMUQXBEGOGFKJ-IRXDYDNUSA-N 2 2 384.952 2.783 20 0 GFADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000841099779 661233227 /nfs/dbraw/zinc/23/32/27/661233227.db2.gz OUEDLDHWSSDBLG-WMLDXEAASA-N 2 2 393.329 2.815 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000841173202 661241455 /nfs/dbraw/zinc/24/14/55/661241455.db2.gz HOBZSAAQXCECIO-IRXDYDNUSA-N 2 2 385.643 2.978 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000841173202 661241460 /nfs/dbraw/zinc/24/14/60/661241460.db2.gz HOBZSAAQXCECIO-IRXDYDNUSA-N 2 2 385.643 2.978 20 0 GFADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH2+]C(C)(C)c2ccc(Br)cc2)C1 ZINC000783975155 657278767 /nfs/dbraw/zinc/27/87/67/657278767.db2.gz KAIIICPAAPXZLN-CYBMUJFWSA-N 2 2 391.313 2.981 20 0 GFADLP CC(C)[C@H](C[NH2+][C@@H](C)c1nc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000788520651 657736750 /nfs/dbraw/zinc/73/67/50/657736750.db2.gz SQBVKDQGAQIORC-ZFWWWQNUSA-N 2 2 387.341 2.906 20 0 GFADLP COc1ccc(Cl)cc1NC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000792680879 658309231 /nfs/dbraw/zinc/30/92/31/658309231.db2.gz MZGAHDGRUOXPAA-CQSZACIVSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(Cl)cc1NC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000792680879 658309244 /nfs/dbraw/zinc/30/92/44/658309244.db2.gz MZGAHDGRUOXPAA-CQSZACIVSA-N 2 2 382.961 2.804 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911140 658329703 /nfs/dbraw/zinc/32/97/03/658329703.db2.gz QGRHLGQUYDARKT-SOLBZPMBSA-N 2 2 384.351 2.921 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911140 658329710 /nfs/dbraw/zinc/32/97/10/658329710.db2.gz QGRHLGQUYDARKT-SOLBZPMBSA-N 2 2 384.351 2.921 20 0 GFADLP O=S(=O)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CCc1ccccc1 ZINC000800310958 659300121 /nfs/dbraw/zinc/30/01/21/659300121.db2.gz BCUKONNUVHPCMY-UHFFFAOYSA-N 2 2 375.519 2.681 20 0 GFADLP C[NH+]1CCC(CNC(=O)NCC[C@@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000856868464 662048458 /nfs/dbraw/zinc/04/84/58/662048458.db2.gz ONBYWUNVYOTZLT-OAHLLOKOSA-N 2 2 391.387 2.820 20 0 GFADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283204 662279179 /nfs/dbraw/zinc/27/91/79/662279179.db2.gz CHJSMLQDAOHGML-CZUORRHYSA-N 2 2 379.517 2.658 20 0 GFADLP Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)[C@H]1C2 ZINC000866609580 662483992 /nfs/dbraw/zinc/48/39/92/662483992.db2.gz HUMXJIGMZYHLCU-GDAAHCPNSA-N 2 2 377.326 2.930 20 0 GFADLP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000877746584 662882752 /nfs/dbraw/zinc/88/27/52/662882752.db2.gz SBBBQMCUABJYKI-UHFFFAOYSA-N 2 2 382.346 2.670 20 0 GFADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc(Br)no1 ZINC000878403170 662895689 /nfs/dbraw/zinc/89/56/89/662895689.db2.gz WLUGIRCVYCFMGJ-AWEZNQCLSA-N 2 2 383.290 2.859 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3cccc(Br)c3C2)cnn1C ZINC000903896214 663810322 /nfs/dbraw/zinc/81/03/22/663810322.db2.gz UGVUAGSEUKRITH-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3cccc(Br)c3C2)cnn1C ZINC000903896214 663810323 /nfs/dbraw/zinc/81/03/23/663810323.db2.gz UGVUAGSEUKRITH-AWEZNQCLSA-N 2 2 377.330 2.667 20 0 GFADLP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619108 663881745 /nfs/dbraw/zinc/88/17/45/663881745.db2.gz KLBMQDFYZMRBMX-QGZVFWFLSA-N 2 2 396.329 2.621 20 0 GFADLP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619108 663881746 /nfs/dbraw/zinc/88/17/46/663881746.db2.gz KLBMQDFYZMRBMX-QGZVFWFLSA-N 2 2 396.329 2.621 20 0 GFADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000922471089 664602964 /nfs/dbraw/zinc/60/29/64/664602964.db2.gz CPBGEUDCLOOITP-UHFFFAOYSA-N 2 2 382.555 2.664 20 0 GFADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(Br)n2)nc[nH+]1 ZINC000925368630 664671133 /nfs/dbraw/zinc/67/11/33/664671133.db2.gz DOCAHRYXBLMMBD-CHWSQXEVSA-N 2 2 391.317 2.995 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000926059166 664680296 /nfs/dbraw/zinc/68/02/96/664680296.db2.gz QZYKFVRBJSYHCF-UHFFFAOYSA-N 2 2 393.688 2.786 20 0 GFADLP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1ccccc1Br)CC2 ZINC000931513910 664797063 /nfs/dbraw/zinc/79/70/63/664797063.db2.gz MSAJGPHFDSTVCF-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1ccccc1Br)CC2 ZINC000931513910 664797066 /nfs/dbraw/zinc/79/70/66/664797066.db2.gz MSAJGPHFDSTVCF-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725325 720471462 /nfs/dbraw/zinc/47/14/62/720471462.db2.gz JOYIALITIRMLHC-YADHBBJMSA-N 3 2 393.535 2.803 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725325 720471469 /nfs/dbraw/zinc/47/14/69/720471469.db2.gz JOYIALITIRMLHC-YADHBBJMSA-N 3 2 393.535 2.803 20 0 GFADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]c2ccccc12 ZINC001164868944 721270406 /nfs/dbraw/zinc/27/04/06/721270406.db2.gz GQYXAWPXCAMSMF-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]c2ccccc12 ZINC001164868944 721270409 /nfs/dbraw/zinc/27/04/09/721270409.db2.gz GQYXAWPXCAMSMF-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001165042049 721938093 /nfs/dbraw/zinc/93/80/93/721938093.db2.gz CUBYCDUAAJVKMV-UHFFFAOYSA-N 2 2 380.540 2.581 20 0 GFADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000124866468 551318544 /nfs/dbraw/zinc/31/85/44/551318544.db2.gz JFLLCMDMXVPJAI-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000124866468 551318546 /nfs/dbraw/zinc/31/85/46/551318546.db2.gz JFLLCMDMXVPJAI-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167617152 551633624 /nfs/dbraw/zinc/63/36/24/551633624.db2.gz VULWCCGIBVXDEO-DOTOQJQBSA-N 2 2 380.330 2.654 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2cncc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172752679 551686682 /nfs/dbraw/zinc/68/66/82/551686682.db2.gz YRHQYMGUPNIULI-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038423 552243691 /nfs/dbraw/zinc/24/36/91/552243691.db2.gz SKALNTXNICUAJJ-DZGCQCFKSA-N 2 2 386.323 2.577 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969350 552349390 /nfs/dbraw/zinc/34/93/90/552349390.db2.gz DHPVBOAKJSLMQB-OAHLLOKOSA-N 2 2 392.345 2.537 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000184969350 552349391 /nfs/dbraw/zinc/34/93/91/552349391.db2.gz DHPVBOAKJSLMQB-OAHLLOKOSA-N 2 2 392.345 2.537 20 0 GFADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956579 552375107 /nfs/dbraw/zinc/37/51/07/552375107.db2.gz ZYEONXDHAKGUSK-NEPJUHHUSA-N 2 2 378.464 2.755 20 0 GFADLP CC(C)[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000186981541 552403306 /nfs/dbraw/zinc/40/33/06/552403306.db2.gz ZHKWVVIRMPAVNM-CJNGLKHVSA-N 2 2 387.341 2.906 20 0 GFADLP C[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)Cn1cc[nH+]c1 ZINC000188711453 552453288 /nfs/dbraw/zinc/45/32/88/552453288.db2.gz PQLJTHMLYHJIMY-OAHLLOKOSA-N 2 2 393.329 2.908 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193232788 552986805 /nfs/dbraw/zinc/98/68/05/552986805.db2.gz DPWLXQXHUOCAJO-AWEZNQCLSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245571251 553092493 /nfs/dbraw/zinc/09/24/93/553092493.db2.gz GQYFWUDASYEBQS-DAXOMENPSA-N 2 2 377.286 2.755 20 0 GFADLP C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000245571251 553092498 /nfs/dbraw/zinc/09/24/98/553092498.db2.gz GQYFWUDASYEBQS-DAXOMENPSA-N 2 2 377.286 2.755 20 0 GFADLP C[NH+](C)CC(=O)N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000255896888 553152937 /nfs/dbraw/zinc/15/29/37/553152937.db2.gz NWRUTUQRQNUYJE-HYXAFXHYSA-N 2 2 380.330 2.558 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883058 563227479 /nfs/dbraw/zinc/22/74/79/563227479.db2.gz PESFAYKNGBPVJQ-CRAIPNDOSA-N 2 2 382.346 2.506 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170210 563232363 /nfs/dbraw/zinc/23/23/63/563232363.db2.gz LJUJVTPIMXDCGQ-LSDHHAIUSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170210 563232366 /nfs/dbraw/zinc/23/23/66/563232366.db2.gz LJUJVTPIMXDCGQ-LSDHHAIUSA-N 2 2 384.293 2.505 20 0 GFADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423099115 563355627 /nfs/dbraw/zinc/35/56/27/563355627.db2.gz AIUNPHUJYXJVMG-DLBZAZTESA-N 2 2 379.913 2.661 20 0 GFADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423211933 563358734 /nfs/dbraw/zinc/35/87/34/563358734.db2.gz HXEGAGUOJFIDIW-DCAQKATOSA-N 2 2 380.341 2.680 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375550 563377126 /nfs/dbraw/zinc/37/71/26/563377126.db2.gz KJFPFWNHOPFMSC-QMTHXVAHSA-N 2 2 394.684 2.801 20 0 GFADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435913 563422005 /nfs/dbraw/zinc/42/20/05/563422005.db2.gz UVDDTVFSAISDKN-DOTOQJQBSA-N 2 2 387.615 2.989 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000377632698 563481399 /nfs/dbraw/zinc/48/13/99/563481399.db2.gz WBLYFEJOKDPQEF-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000377632698 563481402 /nfs/dbraw/zinc/48/14/02/563481402.db2.gz WBLYFEJOKDPQEF-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365286 563504354 /nfs/dbraw/zinc/50/43/54/563504354.db2.gz JBPMAHBZERYCTG-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365286 563504356 /nfs/dbraw/zinc/50/43/56/563504356.db2.gz JBPMAHBZERYCTG-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000431056448 563552092 /nfs/dbraw/zinc/55/20/92/563552092.db2.gz CRSMBRMENJXGIS-DFBGVHRSSA-N 2 2 377.286 2.634 20 0 GFADLP CC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625130 563654731 /nfs/dbraw/zinc/65/47/31/563654731.db2.gz KTNFPCZXBORHKI-OAHLLOKOSA-N 2 2 389.359 2.687 20 0 GFADLP CC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625130 563654733 /nfs/dbraw/zinc/65/47/33/563654733.db2.gz KTNFPCZXBORHKI-OAHLLOKOSA-N 2 2 389.359 2.687 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711115 563708701 /nfs/dbraw/zinc/70/87/01/563708701.db2.gz NMXKRNATWCBIFI-LQPUYASZSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccc(Br)s3)C2)CC1 ZINC000362711115 563708703 /nfs/dbraw/zinc/70/87/03/563708703.db2.gz NMXKRNATWCBIFI-LQPUYASZSA-N 2 2 398.370 2.809 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000414065844 563717275 /nfs/dbraw/zinc/71/72/75/563717275.db2.gz HLBGHLNPTHAPDY-OAHLLOKOSA-N 2 2 378.314 2.721 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000414065844 563717276 /nfs/dbraw/zinc/71/72/76/563717276.db2.gz HLBGHLNPTHAPDY-OAHLLOKOSA-N 2 2 378.314 2.721 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)n1C ZINC000414361986 563729291 /nfs/dbraw/zinc/72/92/91/563729291.db2.gz UNRIGSOZUSTWDT-UHFFFAOYSA-N 2 2 377.798 2.722 20 0 GFADLP Cc1ccc(Br)cc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000364836097 563765398 /nfs/dbraw/zinc/76/53/98/563765398.db2.gz AGMYUCLWVVNHOR-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000364836097 563765399 /nfs/dbraw/zinc/76/53/99/563765399.db2.gz AGMYUCLWVVNHOR-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Ic1cnc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000367526680 563847590 /nfs/dbraw/zinc/84/75/90/563847590.db2.gz XDIXVZZSFHZEAB-UHFFFAOYSA-N 2 2 397.245 2.618 20 0 GFADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986204 563893725 /nfs/dbraw/zinc/89/37/25/563893725.db2.gz DXKPHHCAVIZKBB-INIZCTEOSA-N 2 2 377.286 2.869 20 0 GFADLP CCCC[C@H](C[NH3+])NC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418035929 563896294 /nfs/dbraw/zinc/89/62/94/563896294.db2.gz YMCPTLLAYOYEDY-CYBMUJFWSA-N 2 2 382.306 2.722 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392914 564184773 /nfs/dbraw/zinc/18/47/73/564184773.db2.gz AERFINVWQZNUHO-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392914 564184777 /nfs/dbraw/zinc/18/47/77/564184777.db2.gz AERFINVWQZNUHO-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563357045 564187329 /nfs/dbraw/zinc/18/73/29/564187329.db2.gz ZQAWZNXZHPHLDH-OAHLLOKOSA-N 2 2 391.313 2.631 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563357045 564187334 /nfs/dbraw/zinc/18/73/34/564187334.db2.gz ZQAWZNXZHPHLDH-OAHLLOKOSA-N 2 2 391.313 2.631 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602134 564192219 /nfs/dbraw/zinc/19/22/19/564192219.db2.gz SVIRJJPSDBRAFC-VFVRVIDISA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602134 564192224 /nfs/dbraw/zinc/19/22/24/564192224.db2.gz SVIRJJPSDBRAFC-VFVRVIDISA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602131 564192392 /nfs/dbraw/zinc/19/23/92/564192392.db2.gz SVIRJJPSDBRAFC-FHSNZYRGSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602131 564192395 /nfs/dbraw/zinc/19/23/95/564192395.db2.gz SVIRJJPSDBRAFC-FHSNZYRGSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344996 564229582 /nfs/dbraw/zinc/22/95/82/564229582.db2.gz AQSACLQEVKWMJY-CQSZACIVSA-N 2 2 393.329 2.941 20 0 GFADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344996 564229587 /nfs/dbraw/zinc/22/95/87/564229587.db2.gz AQSACLQEVKWMJY-CQSZACIVSA-N 2 2 393.329 2.941 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1cccc(Br)c1)CCC2 ZINC000564564446 564239968 /nfs/dbraw/zinc/23/99/68/564239968.db2.gz PAOKGRSKRNJGCC-HOCLYGCPSA-N 2 2 394.313 2.861 20 0 GFADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564949464 564259012 /nfs/dbraw/zinc/25/90/12/564259012.db2.gz MUMJOSVNNGWHOQ-FUHWJXTLSA-N 2 2 380.330 2.783 20 0 GFADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064666 564324784 /nfs/dbraw/zinc/32/47/84/564324784.db2.gz LOCYPLZVGOZCPU-ROUUACIJSA-N 2 2 385.599 2.706 20 0 GFADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064666 564324788 /nfs/dbraw/zinc/32/47/88/564324788.db2.gz LOCYPLZVGOZCPU-ROUUACIJSA-N 2 2 385.599 2.706 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000542771079 564325445 /nfs/dbraw/zinc/32/54/45/564325445.db2.gz XXSXGTJUXKWEMB-ZDUSSCGKSA-N 2 2 394.317 2.546 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000542771079 564325449 /nfs/dbraw/zinc/32/54/49/564325449.db2.gz XXSXGTJUXKWEMB-ZDUSSCGKSA-N 2 2 394.317 2.546 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822693 564328020 /nfs/dbraw/zinc/32/80/20/564328020.db2.gz GSHNJCPOHBJYIY-JTQLQIEISA-N 2 2 378.230 2.815 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822693 564328025 /nfs/dbraw/zinc/32/80/25/564328025.db2.gz GSHNJCPOHBJYIY-JTQLQIEISA-N 2 2 378.230 2.815 20 0 GFADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Br)cc1 ZINC000567581583 564379002 /nfs/dbraw/zinc/37/90/02/564379002.db2.gz IFHGQNJKEPINGS-MRXNPFEDSA-N 2 2 390.281 2.669 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000567683520 564383221 /nfs/dbraw/zinc/38/32/21/564383221.db2.gz PYZJHPWFQQSJJQ-LSDHHAIUSA-N 2 2 389.359 2.685 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512415886 564400375 /nfs/dbraw/zinc/40/03/75/564400375.db2.gz PRFDUGHEQPLXHY-YFCBIRFHSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@@H](C)[S@]1=O ZINC000512415886 564400379 /nfs/dbraw/zinc/40/03/79/564400379.db2.gz PRFDUGHEQPLXHY-YFCBIRFHSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512415886 564400384 /nfs/dbraw/zinc/40/03/84/564400384.db2.gz PRFDUGHEQPLXHY-YFCBIRFHSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)[S@@](=O)[C@H](CC)C2)C[C@H](C)[S@]1=O ZINC000512415886 564400388 /nfs/dbraw/zinc/40/03/88/564400388.db2.gz PRFDUGHEQPLXHY-YFCBIRFHSA-N 2 2 390.659 2.620 20 0 GFADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227107 564465218 /nfs/dbraw/zinc/46/52/18/564465218.db2.gz MWYPGZSMNZAVFY-SWLSCSKDSA-N 2 2 387.343 2.599 20 0 GFADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227107 564465219 /nfs/dbraw/zinc/46/52/19/564465219.db2.gz MWYPGZSMNZAVFY-SWLSCSKDSA-N 2 2 387.343 2.599 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]CCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000480329273 564468414 /nfs/dbraw/zinc/46/84/14/564468414.db2.gz PQZTYMFILRSYRG-CQSZACIVSA-N 2 2 384.299 2.544 20 0 GFADLP CCS[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000480887032 564494088 /nfs/dbraw/zinc/49/40/88/564494088.db2.gz WNDGAWUCEGBWHQ-QGZVFWFLSA-N 2 2 381.611 3.000 20 0 GFADLP CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000480887032 564494092 /nfs/dbraw/zinc/49/40/92/564494092.db2.gz WNDGAWUCEGBWHQ-QGZVFWFLSA-N 2 2 381.611 3.000 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000570428551 564505499 /nfs/dbraw/zinc/50/54/99/564505499.db2.gz AQHYPYOXAINUJG-ZDUSSCGKSA-N 2 2 394.317 2.594 20 0 GFADLP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647992 564508253 /nfs/dbraw/zinc/50/82/53/564508253.db2.gz HBYPZRLHDNHKBQ-RDJZCZTQSA-N 2 2 378.929 2.967 20 0 GFADLP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647992 564508255 /nfs/dbraw/zinc/50/82/55/564508255.db2.gz HBYPZRLHDNHKBQ-RDJZCZTQSA-N 2 2 378.929 2.967 20 0 GFADLP CC(C)[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000487074575 564674507 /nfs/dbraw/zinc/67/45/07/564674507.db2.gz RFGHFZJHDHLWDS-HNNXBMFYSA-N 2 2 394.317 2.578 20 0 GFADLP CC(C)[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000487074575 564674511 /nfs/dbraw/zinc/67/45/11/564674511.db2.gz RFGHFZJHDHLWDS-HNNXBMFYSA-N 2 2 394.317 2.578 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000553804248 564738017 /nfs/dbraw/zinc/73/80/17/564738017.db2.gz KXGBHOIILQJQST-ZDUSSCGKSA-N 2 2 386.309 2.573 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000553804248 564738020 /nfs/dbraw/zinc/73/80/20/564738020.db2.gz KXGBHOIILQJQST-ZDUSSCGKSA-N 2 2 386.309 2.573 20 0 GFADLP [NH3+]CCC[N@@H+](Cc1nnnn1-c1ccccc1Br)CC1CCCC1 ZINC000489794824 564752450 /nfs/dbraw/zinc/75/24/50/564752450.db2.gz IAWQLGYYFISOFO-UHFFFAOYSA-N 2 2 393.333 2.766 20 0 GFADLP [NH3+]CCC[N@H+](Cc1nnnn1-c1ccccc1Br)CC1CCCC1 ZINC000489794824 564752451 /nfs/dbraw/zinc/75/24/51/564752451.db2.gz IAWQLGYYFISOFO-UHFFFAOYSA-N 2 2 393.333 2.766 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccsc2Br)C1=O ZINC000527691772 564755681 /nfs/dbraw/zinc/75/56/81/564755681.db2.gz OPXCVARSOUJIQM-LBPRGKRZSA-N 2 2 383.315 2.525 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[C@@H](C)n3cc[nH+]c3)[nH+]c12 ZINC000582731221 564859827 /nfs/dbraw/zinc/85/98/27/564859827.db2.gz WQUZZVWCNAVZIE-CYBMUJFWSA-N 2 2 390.285 2.912 20 0 GFADLP C[NH+](C)[C@]1(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCSC1 ZINC000530777317 564894122 /nfs/dbraw/zinc/89/41/22/564894122.db2.gz KYKWWRCBHKGUCD-KRWDZBQOSA-N 2 2 383.587 2.688 20 0 GFADLP Cc1nc(C(F)(F)F)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000464560359 564910831 /nfs/dbraw/zinc/91/08/31/564910831.db2.gz YCMNNKRKZNQVFC-UHFFFAOYSA-N 2 2 378.464 2.568 20 0 GFADLP Cc1nc(C(F)(F)F)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000464560359 564910836 /nfs/dbraw/zinc/91/08/36/564910836.db2.gz YCMNNKRKZNQVFC-UHFFFAOYSA-N 2 2 378.464 2.568 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467154788 564957898 /nfs/dbraw/zinc/95/78/98/564957898.db2.gz HPOSOPTXSMFDND-OAHLLOKOSA-N 2 2 380.286 2.792 20 0 GFADLP CC[NH+](CC)CCSCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000467978306 564976115 /nfs/dbraw/zinc/97/61/15/564976115.db2.gz QNHZTUNXJNASLB-UHFFFAOYSA-N 2 2 399.358 2.788 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508918 565014720 /nfs/dbraw/zinc/01/47/20/565014720.db2.gz XONVGBXVXVWFKR-GJZGRUSLSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508918 565014723 /nfs/dbraw/zinc/01/47/23/565014723.db2.gz XONVGBXVXVWFKR-GJZGRUSLSA-N 2 2 384.293 2.505 20 0 GFADLP C[N@H+](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000503410104 565018643 /nfs/dbraw/zinc/01/86/43/565018643.db2.gz VXIYJDZMPBOCCY-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[N@@H+](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000503410104 565018646 /nfs/dbraw/zinc/01/86/46/565018646.db2.gz VXIYJDZMPBOCCY-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH2+][C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1Cl ZINC000659278691 565210467 /nfs/dbraw/zinc/21/04/67/565210467.db2.gz QODTYSLJDHTQID-KRWDZBQOSA-N 2 2 379.291 2.998 20 0 GFADLP [NH3+][C@@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1cccc(Cl)c1 ZINC000638991004 565220375 /nfs/dbraw/zinc/22/03/75/565220375.db2.gz SUFXURKDRWILFG-QGZVFWFLSA-N 2 2 376.913 2.604 20 0 GFADLP Cn1cc[nH+]c1[C@@H](Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000639243162 565235295 /nfs/dbraw/zinc/23/52/95/565235295.db2.gz YGRXIURHMZTGQM-INIZCTEOSA-N 2 2 392.301 2.977 20 0 GFADLP COCC[NH+](Cc1cc(Br)cs1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660411804 565273889 /nfs/dbraw/zinc/27/38/89/565273889.db2.gz XYYWRUVZMZXGLK-CQSZACIVSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[N@@H+](Cc1cc(Br)cs1)C[C@H](O)C[NH+](C)C(C)C ZINC000660411804 565273876 /nfs/dbraw/zinc/27/38/76/565273876.db2.gz XYYWRUVZMZXGLK-CQSZACIVSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[N@H+](Cc1cc(Br)cs1)C[C@H](O)C[NH+](C)C(C)C ZINC000660411804 565273881 /nfs/dbraw/zinc/27/38/81/565273881.db2.gz XYYWRUVZMZXGLK-CQSZACIVSA-N 2 2 379.364 2.660 20 0 GFADLP COCC[NH+](Cc1cc(Br)cs1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660411804 565273886 /nfs/dbraw/zinc/27/38/86/565273886.db2.gz XYYWRUVZMZXGLK-CQSZACIVSA-N 2 2 379.364 2.660 20 0 GFADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000661947762 565343993 /nfs/dbraw/zinc/34/39/93/565343993.db2.gz CZIWAVFFKKUTHR-AWEZNQCLSA-N 2 2 394.317 2.689 20 0 GFADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000661947762 565344001 /nfs/dbraw/zinc/34/40/01/565344001.db2.gz CZIWAVFFKKUTHR-AWEZNQCLSA-N 2 2 394.317 2.689 20 0 GFADLP [NH3+][C@H](C(=O)NCCCCNc1cccc[nH+]1)c1ccccc1Br ZINC000662447097 565369137 /nfs/dbraw/zinc/36/91/37/565369137.db2.gz UTVDYHSNZPZCQW-INIZCTEOSA-N 2 2 377.286 2.852 20 0 GFADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000662684614 565382093 /nfs/dbraw/zinc/38/20/93/565382093.db2.gz XIUZKHFEKJMINY-MNQCNDSGSA-N 2 2 378.314 2.536 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)n1 ZINC000665291492 565495951 /nfs/dbraw/zinc/49/59/51/565495951.db2.gz CPFVQYPIFOMKPV-ZDUSSCGKSA-N 2 2 383.677 2.834 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@@H](C)C[NH2+]C)c1ccc(I)cc1 ZINC000596652016 565530723 /nfs/dbraw/zinc/53/07/23/565530723.db2.gz FDBHATKDNRALRZ-SWLSCSKDSA-N 2 2 398.292 2.795 20 0 GFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000600776152 565749660 /nfs/dbraw/zinc/74/96/60/565749660.db2.gz PMGKXNUVZZSTPZ-QWHCGFSZSA-N 2 2 390.265 2.539 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCc2cccc(Br)c2)CC1 ZINC000675485059 565906106 /nfs/dbraw/zinc/90/61/06/565906106.db2.gz FWVHYNRBIQFXTE-UHFFFAOYSA-N 2 2 396.373 2.914 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000653094824 565955031 /nfs/dbraw/zinc/95/50/31/565955031.db2.gz RPSUIYDITNGJCS-INIZCTEOSA-N 2 2 382.346 2.656 20 0 GFADLP Brc1cc2c(c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c1)OCC2 ZINC000655755176 566087460 /nfs/dbraw/zinc/08/74/60/566087460.db2.gz RMUMJSRDSMMCIM-QGZVFWFLSA-N 2 2 381.314 2.727 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682187301 566146605 /nfs/dbraw/zinc/14/66/05/566146605.db2.gz SCNRUAHEGIPCMW-CVEARBPZSA-N 2 2 398.276 2.862 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682187301 566146611 /nfs/dbraw/zinc/14/66/11/566146611.db2.gz SCNRUAHEGIPCMW-CVEARBPZSA-N 2 2 398.276 2.862 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000657072416 566217680 /nfs/dbraw/zinc/21/76/80/566217680.db2.gz YAGHNPNLDCJEJI-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000657072416 566217682 /nfs/dbraw/zinc/21/76/82/566217682.db2.gz YAGHNPNLDCJEJI-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)c1cccc2[nH]ncc21)[C@H]1CC12CC[NH2+]CC2 ZINC000261913494 570573338 /nfs/dbraw/zinc/57/33/38/570573338.db2.gz XXNHNVWIGRQLJN-SFHVURJKSA-N 2 2 378.480 2.564 20 0 GFADLP c1coc([C@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[NH+]2CCCC2)c1 ZINC000738449763 599258810 /nfs/dbraw/zinc/25/88/10/599258810.db2.gz VUJMMBNVMNDJBG-KRWDZBQOSA-N 2 2 375.436 2.679 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821589269 599452294 /nfs/dbraw/zinc/45/22/94/599452294.db2.gz GLLCEDDQAYIUJJ-UHFFFAOYSA-N 2 2 377.496 2.691 20 0 GFADLP CC[NH+](CC)[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccco1 ZINC000821182683 599500352 /nfs/dbraw/zinc/50/03/52/599500352.db2.gz XHPKGNAKXYJYSJ-KRWDZBQOSA-N 2 2 377.452 2.925 20 0 GFADLP C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604880 599592961 /nfs/dbraw/zinc/59/29/61/599592961.db2.gz LPGPUHYPHZDNJQ-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604880 599592962 /nfs/dbraw/zinc/59/29/62/599592962.db2.gz LPGPUHYPHZDNJQ-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604880 599592963 /nfs/dbraw/zinc/59/29/63/599592963.db2.gz LPGPUHYPHZDNJQ-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1ccccc1-c1nn[nH]n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604880 599592964 /nfs/dbraw/zinc/59/29/64/599592964.db2.gz LPGPUHYPHZDNJQ-IBGZPJMESA-N 2 2 392.507 2.699 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1F ZINC000822477467 607477484 /nfs/dbraw/zinc/47/74/84/607477484.db2.gz LWQFJVRGDGUDSK-UHFFFAOYSA-N 2 2 381.390 2.929 20 0 GFADLP CC[NH+](CC)CCO[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821189932 606140603 /nfs/dbraw/zinc/14/06/03/606140603.db2.gz VZWKSWODQHJRCW-INIZCTEOSA-N 2 2 395.511 2.660 20 0 GFADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000822309204 606210379 /nfs/dbraw/zinc/21/03/79/606210379.db2.gz PRGANCQHGKRKAK-UHFFFAOYSA-N 2 2 397.552 2.539 20 0 GFADLP C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821607644 607068471 /nfs/dbraw/zinc/06/84/71/607068471.db2.gz XVYMQBMRDBZZBH-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821607644 607068474 /nfs/dbraw/zinc/06/84/74/607068474.db2.gz XVYMQBMRDBZZBH-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cccc(-c4nn[nH]n4)n3)cc2)CC1 ZINC000825860844 607899845 /nfs/dbraw/zinc/89/98/45/607899845.db2.gz YHFNESLNKZSMLF-UHFFFAOYSA-N 2 2 378.484 2.783 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453758 608313961 /nfs/dbraw/zinc/31/39/61/608313961.db2.gz XAGGURYLUGPMPF-MAUKXSAKSA-N 2 2 394.527 2.665 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453758 608313963 /nfs/dbraw/zinc/31/39/63/608313963.db2.gz XAGGURYLUGPMPF-MAUKXSAKSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453758 608313965 /nfs/dbraw/zinc/31/39/65/608313965.db2.gz XAGGURYLUGPMPF-MAUKXSAKSA-N 2 2 394.527 2.665 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000825453758 608313967 /nfs/dbraw/zinc/31/39/67/608313967.db2.gz XAGGURYLUGPMPF-MAUKXSAKSA-N 2 2 394.527 2.665 20 0 GFADLP CCC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000825323279 608702559 /nfs/dbraw/zinc/70/25/59/608702559.db2.gz RMPQRDNNGVTYNU-UHFFFAOYSA-N 2 2 396.499 2.748 20 0 GFADLP CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000825323279 608702560 /nfs/dbraw/zinc/70/25/60/608702560.db2.gz RMPQRDNNGVTYNU-UHFFFAOYSA-N 2 2 396.499 2.748 20 0 GFADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccncc3Br)[nH+]c2)C1 ZINC000631098405 652519834 /nfs/dbraw/zinc/51/98/34/652519834.db2.gz OVWFHBWAEFBXDA-HNNXBMFYSA-N 2 2 376.302 2.992 20 0 GFADLP C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125564829 654798118 /nfs/dbraw/zinc/79/81/18/654798118.db2.gz OXTKBZCCGMMBJZ-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132916 655017508 /nfs/dbraw/zinc/01/75/08/655017508.db2.gz WLLKDXYAPXJABM-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)ccc3Br)C2)CC1 ZINC000093132916 655017511 /nfs/dbraw/zinc/01/75/11/655017511.db2.gz WLLKDXYAPXJABM-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711140 655206287 /nfs/dbraw/zinc/20/62/87/655206287.db2.gz PMRFZWLUNZWTFB-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711140 655206289 /nfs/dbraw/zinc/20/62/89/655206289.db2.gz PMRFZWLUNZWTFB-CQSZACIVSA-N 2 2 387.355 2.890 20 0 GFADLP CN(C(=O)[C@@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245691848 655428205 /nfs/dbraw/zinc/42/82/05/655428205.db2.gz JUYZYQHUAGLDNN-KURKYZTESA-N 2 2 385.643 2.631 20 0 GFADLP CN(C(=O)[C@@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245691848 655428206 /nfs/dbraw/zinc/42/82/06/655428206.db2.gz JUYZYQHUAGLDNN-KURKYZTESA-N 2 2 385.643 2.631 20 0 GFADLP COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1Br ZINC000574802783 655431094 /nfs/dbraw/zinc/43/10/94/655431094.db2.gz GGGYJOXVDLTTGU-NSHDSACASA-N 2 2 394.317 2.894 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793124 655889074 /nfs/dbraw/zinc/88/90/74/655889074.db2.gz YFZCXJFFNHSOJG-CYBMUJFWSA-N 2 2 387.281 2.945 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000755793124 655889075 /nfs/dbraw/zinc/88/90/75/655889075.db2.gz YFZCXJFFNHSOJG-CYBMUJFWSA-N 2 2 387.281 2.945 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1Cl ZINC000841099062 661232526 /nfs/dbraw/zinc/23/25/26/661232526.db2.gz CPESBKWEAPYOEN-OLZOCXBDSA-N 2 2 380.842 2.811 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1nc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000788520631 657736911 /nfs/dbraw/zinc/73/69/11/657736911.db2.gz SQBVKDQGAQIORC-DZGCQCFKSA-N 2 2 387.341 2.906 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000795107300 658674049 /nfs/dbraw/zinc/67/40/49/658674049.db2.gz KPIDQCFEOSJBTH-UHFFFAOYSA-N 2 2 380.989 2.735 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240659 659967434 /nfs/dbraw/zinc/96/74/34/659967434.db2.gz DDPJILRQDKHSHP-WWTUQBGBSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240659 659967437 /nfs/dbraw/zinc/96/74/37/659967437.db2.gz DDPJILRQDKHSHP-WWTUQBGBSA-N 2 2 395.345 2.578 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCSC1 ZINC000862283202 662279274 /nfs/dbraw/zinc/27/92/74/662279274.db2.gz CHJSMLQDAOHGML-CJNGLKHVSA-N 2 2 379.517 2.658 20 0 GFADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccnc2Br)c2ccccc2)CC1 ZINC000865446291 662422060 /nfs/dbraw/zinc/42/20/60/662422060.db2.gz RGPPDCDEMRFGNE-GOSISDBHSA-N 2 2 389.341 2.922 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000865494548 662424945 /nfs/dbraw/zinc/42/49/45/662424945.db2.gz CXWPECBJCOFYHF-IAGOWNOFSA-N 2 2 398.345 2.710 20 0 GFADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc(Br)no1 ZINC000878403171 662895637 /nfs/dbraw/zinc/89/56/37/662895637.db2.gz WLUGIRCVYCFMGJ-CQSZACIVSA-N 2 2 383.290 2.859 20 0 GFADLP O[C@@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(Br)no1 ZINC000880569918 662962469 /nfs/dbraw/zinc/96/24/69/662962469.db2.gz LKIZRCIVNBATGW-KGLIPLIRSA-N 2 2 377.242 2.698 20 0 GFADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C(F)(F)F ZINC000893099459 663396656 /nfs/dbraw/zinc/39/66/56/663396656.db2.gz YZURSBSMDJDREJ-FQLMCAECSA-N 2 2 382.492 2.924 20 0 GFADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000893967781 663434210 /nfs/dbraw/zinc/43/42/10/663434210.db2.gz SKQWVZPEBWAMLX-UHFFFAOYSA-N 2 2 390.313 2.577 20 0 GFADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000893967781 663434215 /nfs/dbraw/zinc/43/42/15/663434215.db2.gz SKQWVZPEBWAMLX-UHFFFAOYSA-N 2 2 390.313 2.577 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473446 663835710 /nfs/dbraw/zinc/83/57/10/663835710.db2.gz QVVHDWZBXFERHT-RDTXWAMCSA-N 2 2 391.313 2.837 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426226 664630163 /nfs/dbraw/zinc/63/01/63/664630163.db2.gz OFAYXVQYQXEBAJ-MXWKQRLJSA-N 2 2 387.229 2.802 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C(F)(F)F ZINC000923426226 664630165 /nfs/dbraw/zinc/63/01/65/664630165.db2.gz OFAYXVQYQXEBAJ-MXWKQRLJSA-N 2 2 387.229 2.802 20 0 GFADLP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925841533 664675722 /nfs/dbraw/zinc/67/57/22/664675722.db2.gz PTYMWHZJNAUXKV-AMKSKSKJSA-N 2 2 392.352 2.824 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000926127679 664682350 /nfs/dbraw/zinc/68/23/50/664682350.db2.gz YPDKXGBJVPZPHK-UHFFFAOYSA-N 2 2 380.798 2.783 20 0 GFADLP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000931511452 664796937 /nfs/dbraw/zinc/79/69/37/664796937.db2.gz MRRZBEZACTYYOQ-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC2 ZINC000931511452 664796938 /nfs/dbraw/zinc/79/69/38/664796938.db2.gz MRRZBEZACTYYOQ-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546309 677395405 /nfs/dbraw/zinc/39/54/05/677395405.db2.gz KXDQPFVISYDACV-INIZCTEOSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546309 677395407 /nfs/dbraw/zinc/39/54/07/677395407.db2.gz KXDQPFVISYDACV-INIZCTEOSA-N 2 2 391.339 2.512 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735739 720427395 /nfs/dbraw/zinc/42/73/95/720427395.db2.gz YJKUWJKVNREMKE-PMACEKPBSA-N 2 2 391.475 2.988 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735739 720427401 /nfs/dbraw/zinc/42/74/01/720427401.db2.gz YJKUWJKVNREMKE-PMACEKPBSA-N 2 2 391.475 2.988 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838812 720583737 /nfs/dbraw/zinc/58/37/37/720583737.db2.gz MAUIVUFEOBUOIS-BBTUJRGHSA-N 2 2 380.540 2.848 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838812 720583742 /nfs/dbraw/zinc/58/37/42/720583742.db2.gz MAUIVUFEOBUOIS-BBTUJRGHSA-N 2 2 380.540 2.848 20 0 GFADLP COc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)[nH+]c2ccccc21 ZINC001165011627 721742631 /nfs/dbraw/zinc/74/26/31/721742631.db2.gz ZSTWSOHQOQRKAM-UHFFFAOYSA-N 2 2 382.508 2.766 20 0 GFADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000015298562 551110991 /nfs/dbraw/zinc/11/09/91/551110991.db2.gz NRWUIVYDFYHKDL-UHFFFAOYSA-N 2 2 388.339 2.652 20 0 GFADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000015298562 551110993 /nfs/dbraw/zinc/11/09/93/551110993.db2.gz NRWUIVYDFYHKDL-UHFFFAOYSA-N 2 2 388.339 2.652 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccsc1 ZINC000045658413 551147355 /nfs/dbraw/zinc/14/73/55/551147355.db2.gz LAPHNGUHRXRWDN-KRWDZBQOSA-N 2 2 378.567 2.940 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)ccc3F)CC2)CC1 ZINC000050803160 551161399 /nfs/dbraw/zinc/16/13/99/551161399.db2.gz SOXNVTFVMVDPOQ-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP Brc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000415035408 563757030 /nfs/dbraw/zinc/75/70/30/563757030.db2.gz IVJSBWCMHMDONM-NSHDSACASA-N 2 2 378.108 2.680 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc(Br)c1OC(F)F ZINC000415097945 563759007 /nfs/dbraw/zinc/75/90/07/563759007.db2.gz UNZGEKHBTOITAR-LLVKDONJSA-N 2 2 395.244 2.527 20 0 GFADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426083 551619649 /nfs/dbraw/zinc/61/96/49/551619649.db2.gz OAJBGIKLOMYRBX-PBHICJAKSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426083 551619652 /nfs/dbraw/zinc/61/96/52/551619652.db2.gz OAJBGIKLOMYRBX-PBHICJAKSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)s1 ZINC000168903392 551634894 /nfs/dbraw/zinc/63/48/94/551634894.db2.gz LYNIXXULGAXOTN-CQSZACIVSA-N 2 2 390.391 2.551 20 0 GFADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cn1 ZINC000171387816 551654698 /nfs/dbraw/zinc/65/46/98/551654698.db2.gz JICSHTJUSPMWDR-UHFFFAOYSA-N 2 2 381.318 2.590 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000181028937 552243143 /nfs/dbraw/zinc/24/31/43/552243143.db2.gz CJOJDGIJHABSNH-RYUDHWBXSA-N 2 2 392.352 2.639 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038247 552243681 /nfs/dbraw/zinc/24/36/81/552243681.db2.gz HUXGXURINAIPDZ-UKRRQHHQSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039096 552243704 /nfs/dbraw/zinc/24/37/04/552243704.db2.gz DFRVPAJUYCIHQL-UONOGXRCSA-N 2 2 386.323 2.577 20 0 GFADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681258 552534430 /nfs/dbraw/zinc/53/44/30/552534430.db2.gz QPVPCWNUWFPJJU-OAHLLOKOSA-N 2 2 382.346 2.669 20 0 GFADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681258 552534434 /nfs/dbraw/zinc/53/44/34/552534434.db2.gz QPVPCWNUWFPJJU-OAHLLOKOSA-N 2 2 382.346 2.669 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000194725421 553028063 /nfs/dbraw/zinc/02/80/63/553028063.db2.gz BSVSTVFVBVPNGS-UHFFFAOYSA-N 2 2 375.847 2.610 20 0 GFADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cs1 ZINC000238047326 553085827 /nfs/dbraw/zinc/08/58/27/553085827.db2.gz DIWKEMKXFXGAFU-ZDUSSCGKSA-N 2 2 382.892 2.789 20 0 GFADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cs1 ZINC000238047326 553085829 /nfs/dbraw/zinc/08/58/29/553085829.db2.gz DIWKEMKXFXGAFU-ZDUSSCGKSA-N 2 2 382.892 2.789 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245716859 553095373 /nfs/dbraw/zinc/09/53/73/553095373.db2.gz OSLUNCABSZUXJZ-JLZZUVOBSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245716859 553095375 /nfs/dbraw/zinc/09/53/75/553095375.db2.gz OSLUNCABSZUXJZ-JLZZUVOBSA-N 2 2 385.936 2.778 20 0 GFADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Br)cc1F ZINC000261837896 553160432 /nfs/dbraw/zinc/16/04/32/553160432.db2.gz YGERJFFNLKAGGV-HNNXBMFYSA-N 2 2 384.293 2.991 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418413107 563217074 /nfs/dbraw/zinc/21/70/74/563217074.db2.gz JBACZBLTMPHIDT-INIZCTEOSA-N 2 2 397.361 2.965 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000278362688 563251889 /nfs/dbraw/zinc/25/18/89/563251889.db2.gz JANIJPPNZBAEJE-INIZCTEOSA-N 2 2 377.330 2.837 20 0 GFADLP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000278362688 563251893 /nfs/dbraw/zinc/25/18/93/563251893.db2.gz JANIJPPNZBAEJE-INIZCTEOSA-N 2 2 377.330 2.837 20 0 GFADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1c(F)cc(F)cc1Br ZINC000420357300 563263182 /nfs/dbraw/zinc/26/31/82/563263182.db2.gz HEASISBHRZHOPN-GFCCVEGCSA-N 2 2 376.245 2.644 20 0 GFADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000371360707 563273957 /nfs/dbraw/zinc/27/39/57/563273957.db2.gz IYPKKFQIWYBVSA-INIZCTEOSA-N 2 2 382.346 2.540 20 0 GFADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000371360707 563273964 /nfs/dbraw/zinc/27/39/64/563273964.db2.gz IYPKKFQIWYBVSA-INIZCTEOSA-N 2 2 382.346 2.540 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3occc3Br)CC2)CC1 ZINC000422017595 563328285 /nfs/dbraw/zinc/32/82/85/563328285.db2.gz JLGZPTZILQNSSZ-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3occc3Br)CC2)CC1 ZINC000422017595 563328288 /nfs/dbraw/zinc/32/82/88/563328288.db2.gz JLGZPTZILQNSSZ-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCC[N@@H+]3C3CC3)[nH+]c12 ZINC000280294461 563331074 /nfs/dbraw/zinc/33/10/74/563331074.db2.gz QGNJDLGMZMDHMB-MRXNPFEDSA-N 2 2 391.313 2.691 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCC[N@H+]3C3CC3)[nH+]c12 ZINC000280294461 563331077 /nfs/dbraw/zinc/33/10/77/563331077.db2.gz QGNJDLGMZMDHMB-MRXNPFEDSA-N 2 2 391.313 2.691 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889292 563349521 /nfs/dbraw/zinc/34/95/21/563349521.db2.gz FPGHFFXYKAFSRZ-KXBFYZLASA-N 2 2 396.373 2.770 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950195 563351857 /nfs/dbraw/zinc/35/18/57/563351857.db2.gz XIBJVMZGILGLMV-GWCFXTLKSA-N 2 2 379.245 2.907 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188855 563358553 /nfs/dbraw/zinc/35/85/53/563358553.db2.gz QQVJGXMGFNHKDK-HNAYVOBHSA-N 2 2 396.373 2.770 20 0 GFADLP CCC([NH3+])(CC)C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423289521 563359641 /nfs/dbraw/zinc/35/96/41/563359641.db2.gz XHQPESQEIUYLNC-ZDUSSCGKSA-N 2 2 375.332 2.775 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529429 563362228 /nfs/dbraw/zinc/36/22/28/563362228.db2.gz VMQBYMJHMIAVRN-KOLCDFICSA-N 2 2 378.108 2.851 20 0 GFADLP Cc1oc(Br)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424631614 563384813 /nfs/dbraw/zinc/38/48/13/563384813.db2.gz SGHPOEHGIDUUCS-UHFFFAOYSA-N 2 2 384.318 2.639 20 0 GFADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC1 ZINC000425350683 563418650 /nfs/dbraw/zinc/41/86/50/563418650.db2.gz MIRCXUFMTUOTDV-UHFFFAOYSA-N 2 2 395.345 2.948 20 0 GFADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318567032 563444202 /nfs/dbraw/zinc/44/42/02/563444202.db2.gz DQMMRBJVVGMLFW-ZDUSSCGKSA-N 2 2 385.224 2.750 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890691 563490211 /nfs/dbraw/zinc/49/02/11/563490211.db2.gz XUJHJXJELOSKHS-ZDUSSCGKSA-N 2 2 378.270 2.943 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000377890691 563490213 /nfs/dbraw/zinc/49/02/13/563490213.db2.gz XUJHJXJELOSKHS-ZDUSSCGKSA-N 2 2 378.270 2.943 20 0 GFADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237461 563607655 /nfs/dbraw/zinc/60/76/55/563607655.db2.gz XCNBQFSZPBLTBI-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237461 563607656 /nfs/dbraw/zinc/60/76/56/563607656.db2.gz XCNBQFSZPBLTBI-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237461 563607659 /nfs/dbraw/zinc/60/76/59/563607659.db2.gz XCNBQFSZPBLTBI-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237461 563607661 /nfs/dbraw/zinc/60/76/61/563607661.db2.gz XCNBQFSZPBLTBI-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@H+](C)C1 ZINC000413510678 563695620 /nfs/dbraw/zinc/69/56/20/563695620.db2.gz ZDFHLIQZKDOCFA-GFCCVEGCSA-N 2 2 378.270 2.538 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@@H+](C)C1 ZINC000413510678 563695622 /nfs/dbraw/zinc/69/56/22/563695622.db2.gz ZDFHLIQZKDOCFA-GFCCVEGCSA-N 2 2 378.270 2.538 20 0 GFADLP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCC(C)CC1 ZINC000361240154 563697780 /nfs/dbraw/zinc/69/77/80/563697780.db2.gz FCHKNISUTLOYKO-MRXNPFEDSA-N 2 2 385.599 2.611 20 0 GFADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000362132762 563703831 /nfs/dbraw/zinc/70/38/31/563703831.db2.gz WNLIIYQDNXXBKI-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000362132762 563703833 /nfs/dbraw/zinc/70/38/33/563703833.db2.gz WNLIIYQDNXXBKI-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP COCCC[N@H+]1CCCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000362385563 563706218 /nfs/dbraw/zinc/70/62/18/563706218.db2.gz BRJPOKDXLNJESZ-UHFFFAOYSA-N 2 2 381.318 2.641 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000363651083 563729546 /nfs/dbraw/zinc/72/95/46/563729546.db2.gz KBIAZFRSTKXUJC-GOSISDBHSA-N 2 2 394.357 2.796 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000363651083 563729547 /nfs/dbraw/zinc/72/95/47/563729547.db2.gz KBIAZFRSTKXUJC-GOSISDBHSA-N 2 2 394.357 2.796 20 0 GFADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431777 563752680 /nfs/dbraw/zinc/75/26/80/563752680.db2.gz FVGZKQQZBAAFJE-ZDUSSCGKSA-N 2 2 377.480 2.943 20 0 GFADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431777 563752683 /nfs/dbraw/zinc/75/26/83/563752683.db2.gz FVGZKQQZBAAFJE-ZDUSSCGKSA-N 2 2 377.480 2.943 20 0 GFADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431777 563752686 /nfs/dbraw/zinc/75/26/86/563752686.db2.gz FVGZKQQZBAAFJE-ZDUSSCGKSA-N 2 2 377.480 2.943 20 0 GFADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000364431777 563752687 /nfs/dbraw/zinc/75/26/87/563752687.db2.gz FVGZKQQZBAAFJE-ZDUSSCGKSA-N 2 2 377.480 2.943 20 0 GFADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414969727 563755375 /nfs/dbraw/zinc/75/53/75/563755375.db2.gz TXBRLJIOEOEFNR-CQSZACIVSA-N 2 2 381.343 2.566 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125412 563760392 /nfs/dbraw/zinc/76/03/92/563760392.db2.gz LECFNUXFXHIMGB-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)nn1 ZINC000415125412 563760393 /nfs/dbraw/zinc/76/03/93/563760393.db2.gz LECFNUXFXHIMGB-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141508 563761273 /nfs/dbraw/zinc/76/12/73/563761273.db2.gz PNFISXRQSLCUNJ-STQMWFEESA-N 2 2 389.352 2.775 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3csc(Cl)c3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415141508 563761276 /nfs/dbraw/zinc/76/12/76/563761276.db2.gz PNFISXRQSLCUNJ-STQMWFEESA-N 2 2 389.352 2.775 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000367684086 563852279 /nfs/dbraw/zinc/85/22/79/563852279.db2.gz GYAQHZVFLZFTLR-MRXNPFEDSA-N 2 2 379.551 2.685 20 0 GFADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050083 563862725 /nfs/dbraw/zinc/86/27/25/563862725.db2.gz CIJWOBOUIDTITE-OAHLLOKOSA-N 2 2 382.346 2.614 20 0 GFADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050083 563862726 /nfs/dbraw/zinc/86/27/26/563862726.db2.gz CIJWOBOUIDTITE-OAHLLOKOSA-N 2 2 382.346 2.614 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1Br ZINC000369094022 563886649 /nfs/dbraw/zinc/88/66/49/563886649.db2.gz YUMUJFBGSULEFZ-MRXNPFEDSA-N 2 2 392.345 2.888 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1Br ZINC000369094022 563886652 /nfs/dbraw/zinc/88/66/52/563886652.db2.gz YUMUJFBGSULEFZ-MRXNPFEDSA-N 2 2 392.345 2.888 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940029 563892465 /nfs/dbraw/zinc/89/24/65/563892465.db2.gz KWIAOMSBAPBWBB-MELADBBJSA-N 2 2 378.826 2.506 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417940029 563892468 /nfs/dbraw/zinc/89/24/68/563892468.db2.gz KWIAOMSBAPBWBB-MELADBBJSA-N 2 2 378.826 2.506 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)[nH+]c12 ZINC000418015886 563895546 /nfs/dbraw/zinc/89/55/46/563895546.db2.gz FGKVRRYVIWMWMN-WCQYABFASA-N 2 2 394.317 2.532 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394602 564184206 /nfs/dbraw/zinc/18/42/06/564184206.db2.gz OCHXUJQYCVVRMM-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394602 564184208 /nfs/dbraw/zinc/18/42/08/564184208.db2.gz OCHXUJQYCVVRMM-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558509 564193325 /nfs/dbraw/zinc/19/33/25/564193325.db2.gz DONUIAMNOYNKHE-CZUORRHYSA-N 2 2 393.333 2.682 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540376106 564246915 /nfs/dbraw/zinc/24/69/15/564246915.db2.gz BKKJYDWFNJDYRA-GOSISDBHSA-N 2 2 380.330 2.654 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000564908761 564256293 /nfs/dbraw/zinc/25/62/93/564256293.db2.gz RIJIZLBCSGGFPR-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000564908761 564256297 /nfs/dbraw/zinc/25/62/97/564256297.db2.gz RIJIZLBCSGGFPR-UHFFFAOYSA-N 2 2 385.961 2.521 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(N2CCOCC2)c1 ZINC000473988143 564260582 /nfs/dbraw/zinc/26/05/82/564260582.db2.gz RFMCOQJQOGTSSE-MRXNPFEDSA-N 2 2 391.313 2.587 20 0 GFADLP Cn1cc[nH+]c1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000474011731 564261666 /nfs/dbraw/zinc/26/16/66/564261666.db2.gz MSWWOQSQPKKOGP-UHFFFAOYSA-N 2 2 378.318 2.542 20 0 GFADLP COCC[N@H+](C)CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474481677 564279607 /nfs/dbraw/zinc/27/96/07/564279607.db2.gz XTNGTECYBQNBGY-UHFFFAOYSA-N 2 2 398.235 2.627 20 0 GFADLP COCC[N@@H+](C)CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474481677 564279611 /nfs/dbraw/zinc/27/96/11/564279611.db2.gz XTNGTECYBQNBGY-UHFFFAOYSA-N 2 2 398.235 2.627 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000566476054 564328801 /nfs/dbraw/zinc/32/88/01/564328801.db2.gz SPIAQDJMBMUFIV-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP CCC[N@H+](CC)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698520 564360658 /nfs/dbraw/zinc/36/06/58/564360658.db2.gz RQDLOWXUZROOAY-UHFFFAOYSA-N 2 2 396.333 2.936 20 0 GFADLP CCC[N@@H+](CC)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698520 564360660 /nfs/dbraw/zinc/36/06/60/564360660.db2.gz RQDLOWXUZROOAY-UHFFFAOYSA-N 2 2 396.333 2.936 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(Br)c1 ZINC000567673752 564382612 /nfs/dbraw/zinc/38/26/12/564382612.db2.gz GFFUZRDTIZJDHW-LLVKDONJSA-N 2 2 394.317 2.894 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)[nH+]c12 ZINC000544771915 564398333 /nfs/dbraw/zinc/39/83/33/564398333.db2.gz VRBAHHRJQGVWAR-ZIAGYGMSSA-N 2 2 393.329 2.937 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544771913 564398566 /nfs/dbraw/zinc/39/85/66/564398566.db2.gz VRBAHHRJQGVWAR-KBPBESRZSA-N 2 2 393.329 2.937 20 0 GFADLP CC[NH+](CC)CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545448191 564423563 /nfs/dbraw/zinc/42/35/63/564423563.db2.gz MKNLXTKQRWPIQP-UHFFFAOYSA-N 2 2 396.333 2.589 20 0 GFADLP Cc1nn(C)cc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000568758164 564433611 /nfs/dbraw/zinc/43/36/11/564433611.db2.gz JBNZYDZBYKMDDJ-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1nn(C)cc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000568758164 564433616 /nfs/dbraw/zinc/43/36/16/564433616.db2.gz JBNZYDZBYKMDDJ-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000546567260 564459383 /nfs/dbraw/zinc/45/93/83/564459383.db2.gz ZNEQEXAGJRPWFL-OAHLLOKOSA-N 2 2 379.245 2.515 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1OC(F)F ZINC000546567260 564459384 /nfs/dbraw/zinc/45/93/84/564459384.db2.gz ZNEQEXAGJRPWFL-OAHLLOKOSA-N 2 2 379.245 2.515 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[NH+]3CCCCC3)[nH+]c12 ZINC000546827463 564470796 /nfs/dbraw/zinc/47/07/96/564470796.db2.gz GGIAAQXFEKOIDB-UHFFFAOYSA-N 2 2 394.317 2.690 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619424 564483633 /nfs/dbraw/zinc/48/36/33/564483633.db2.gz ILIHMZONBBFFGT-DLBZAZTESA-N 2 2 378.929 2.775 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000515619424 564483635 /nfs/dbraw/zinc/48/36/35/564483635.db2.gz ILIHMZONBBFFGT-DLBZAZTESA-N 2 2 378.929 2.775 20 0 GFADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3Br)c[nH+]2)C[C@H](C)O1 ZINC000547825843 564512542 /nfs/dbraw/zinc/51/25/42/564512542.db2.gz ZNFYSJNQIXRKGD-BETUJISGSA-N 2 2 377.286 2.887 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286790 564549851 /nfs/dbraw/zinc/54/98/51/564549851.db2.gz LHAULDVKDUSJIM-MRXNPFEDSA-N 2 2 384.307 2.699 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000518286790 564549855 /nfs/dbraw/zinc/54/98/55/564549855.db2.gz LHAULDVKDUSJIM-MRXNPFEDSA-N 2 2 384.307 2.699 20 0 GFADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000485396961 564614230 /nfs/dbraw/zinc/61/42/30/564614230.db2.gz PFZDJNIATBTXRB-CYBMUJFWSA-N 2 2 394.317 2.580 20 0 GFADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000485396961 564614236 /nfs/dbraw/zinc/61/42/36/564614236.db2.gz PFZDJNIATBTXRB-CYBMUJFWSA-N 2 2 394.317 2.580 20 0 GFADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000485396962 564615015 /nfs/dbraw/zinc/61/50/15/564615015.db2.gz PFZDJNIATBTXRB-ZDUSSCGKSA-N 2 2 394.317 2.580 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000485396962 564615019 /nfs/dbraw/zinc/61/50/19/564615019.db2.gz PFZDJNIATBTXRB-ZDUSSCGKSA-N 2 2 394.317 2.580 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1F ZINC000575409475 564698692 /nfs/dbraw/zinc/69/86/92/564698692.db2.gz MOZMKENRODWJHJ-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1F ZINC000575409475 564698694 /nfs/dbraw/zinc/69/86/94/564698694.db2.gz MOZMKENRODWJHJ-UHFFFAOYSA-N 2 2 376.289 2.797 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000576060296 564705870 /nfs/dbraw/zinc/70/58/70/564705870.db2.gz LFLDWWPTYYFXFJ-UHFFFAOYSA-N 2 2 398.345 2.636 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000576060296 564705872 /nfs/dbraw/zinc/70/58/72/564705872.db2.gz LFLDWWPTYYFXFJ-UHFFFAOYSA-N 2 2 398.345 2.636 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccsc2Br)C1=O ZINC000527691767 564755349 /nfs/dbraw/zinc/75/53/49/564755349.db2.gz OPXCVARSOUJIQM-GFCCVEGCSA-N 2 2 383.315 2.525 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000580644783 564767723 /nfs/dbraw/zinc/76/77/23/564767723.db2.gz SUJNWISBHYLJDH-SZMVWBNQSA-N 2 2 392.341 2.796 20 0 GFADLP CC(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1Br ZINC000582019664 564827768 /nfs/dbraw/zinc/82/77/68/564827768.db2.gz WVCIIOLMRNLCST-UHFFFAOYSA-N 2 2 382.346 2.681 20 0 GFADLP CC(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1Br ZINC000582019664 564827771 /nfs/dbraw/zinc/82/77/71/564827771.db2.gz WVCIIOLMRNLCST-UHFFFAOYSA-N 2 2 382.346 2.681 20 0 GFADLP Brc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc2c1OCCCO2 ZINC000494410577 564829399 /nfs/dbraw/zinc/82/93/99/564829399.db2.gz GJLHIABPPCNXML-CYBMUJFWSA-N 2 2 378.270 2.912 20 0 GFADLP Clc1ccc(Cc2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424021 564846267 /nfs/dbraw/zinc/84/62/67/564846267.db2.gz SUZJFWKGMMUTRR-GOSISDBHSA-N 2 2 376.957 2.867 20 0 GFADLP Clc1ccc(Cc2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000582424021 564846269 /nfs/dbraw/zinc/84/62/69/564846269.db2.gz SUZJFWKGMMUTRR-GOSISDBHSA-N 2 2 376.957 2.867 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449028 564892141 /nfs/dbraw/zinc/89/21/41/564892141.db2.gz ZAVMYPJUVWRTES-SUMWQHHRSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449028 564892142 /nfs/dbraw/zinc/89/21/42/564892142.db2.gz ZAVMYPJUVWRTES-SUMWQHHRSA-N 2 2 385.346 2.601 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584008089 564916323 /nfs/dbraw/zinc/91/63/23/564916323.db2.gz BYBAHZHXCOUOMW-GFCCVEGCSA-N 2 2 397.342 2.692 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584008089 564916325 /nfs/dbraw/zinc/91/63/25/564916325.db2.gz BYBAHZHXCOUOMW-GFCCVEGCSA-N 2 2 397.342 2.692 20 0 GFADLP C[C@H]1C[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)S1 ZINC000532969568 564951160 /nfs/dbraw/zinc/95/11/60/564951160.db2.gz GAIAOGDEMMJMTI-HOTGVXAUSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000533568938 564966894 /nfs/dbraw/zinc/96/68/94/564966894.db2.gz MSTDWAKWGQZNPW-PBHICJAKSA-N 2 2 391.313 2.987 20 0 GFADLP CCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000468528684 564985726 /nfs/dbraw/zinc/98/57/26/564985726.db2.gz NUIWPQILJQTPAB-UHFFFAOYSA-N 2 2 382.306 2.580 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535312910 565010467 /nfs/dbraw/zinc/01/04/67/565010467.db2.gz GJCVHVDIMRDEFX-NSHDSACASA-N 2 2 381.249 2.750 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535312910 565010469 /nfs/dbraw/zinc/01/04/69/565010469.db2.gz GJCVHVDIMRDEFX-NSHDSACASA-N 2 2 381.249 2.750 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657356667 565097618 /nfs/dbraw/zinc/09/76/18/565097618.db2.gz HIFPSXVPOOZONP-UHFFFAOYSA-N 2 2 391.313 2.730 20 0 GFADLP C[C@H]1C[NH+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000585810797 565111602 /nfs/dbraw/zinc/11/16/02/565111602.db2.gz JOSJSGNADPKVMQ-GJZGRUSLSA-N 2 2 398.345 2.867 20 0 GFADLP COc1ccc([C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000685645738 565117679 /nfs/dbraw/zinc/11/76/79/565117679.db2.gz HLDDBRWFSAEVAO-GOSISDBHSA-N 2 2 398.345 2.518 20 0 GFADLP C[NH+](C)C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000637474179 565158701 /nfs/dbraw/zinc/15/87/01/565158701.db2.gz XCWFUJJQWJSLCU-WBMJQRKESA-N 2 2 382.295 2.717 20 0 GFADLP Brc1ccc2oc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000639328484 565239196 /nfs/dbraw/zinc/23/91/96/565239196.db2.gz RMTCGEWYALOCRV-CQSZACIVSA-N 2 2 380.286 2.933 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709801 565290958 /nfs/dbraw/zinc/29/09/58/565290958.db2.gz BGFPXQYIVIWUKT-MRXNPFEDSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000660709801 565290961 /nfs/dbraw/zinc/29/09/61/565290961.db2.gz BGFPXQYIVIWUKT-MRXNPFEDSA-N 2 2 385.339 2.961 20 0 GFADLP O=C(CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151271 565351629 /nfs/dbraw/zinc/35/16/29/565351629.db2.gz HGAZZLVKLVRSTO-SFHVURJKSA-N 2 2 395.341 2.943 20 0 GFADLP O=C(CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(Br)cc1 ZINC000662151271 565351632 /nfs/dbraw/zinc/35/16/32/565351632.db2.gz HGAZZLVKLVRSTO-SFHVURJKSA-N 2 2 395.341 2.943 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3C[C@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741063 565357468 /nfs/dbraw/zinc/35/74/68/565357468.db2.gz NFAHKIVGMBMASG-YDHLFZDLSA-N 2 2 381.567 2.740 20 0 GFADLP FC(F)(F)c1cscc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787710 565399383 /nfs/dbraw/zinc/39/93/83/565399383.db2.gz YPEOXJNBNSQXCR-HNNXBMFYSA-N 2 2 377.476 2.653 20 0 GFADLP Cc1nc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c(Br)c(C)[nH+]1 ZINC000663486934 565422527 /nfs/dbraw/zinc/42/25/27/565422527.db2.gz WLWKEPCMPRHKBI-KBPBESRZSA-N 2 2 396.377 2.851 20 0 GFADLP Cc1nc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c(C)[nH+]1 ZINC000663654756 565430724 /nfs/dbraw/zinc/43/07/24/565430724.db2.gz OMABWEGTYAVWAY-GOSISDBHSA-N 2 2 391.313 2.905 20 0 GFADLP Cc1nc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c(C)[nH+]1 ZINC000663654756 565430729 /nfs/dbraw/zinc/43/07/29/565430729.db2.gz OMABWEGTYAVWAY-GOSISDBHSA-N 2 2 391.313 2.905 20 0 GFADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ncc1Br ZINC000623355438 565506142 /nfs/dbraw/zinc/50/61/42/565506142.db2.gz NLQVQVYWGZHIKF-GOSISDBHSA-N 2 2 390.325 2.661 20 0 GFADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ncc1Br ZINC000623355438 565506146 /nfs/dbraw/zinc/50/61/46/565506146.db2.gz NLQVQVYWGZHIKF-GOSISDBHSA-N 2 2 390.325 2.661 20 0 GFADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623837532 565532982 /nfs/dbraw/zinc/53/29/82/565532982.db2.gz JIBQWXJARNGFMS-NSHDSACASA-N 2 2 383.208 2.504 20 0 GFADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000623837532 565532989 /nfs/dbraw/zinc/53/29/89/565532989.db2.gz JIBQWXJARNGFMS-NSHDSACASA-N 2 2 383.208 2.504 20 0 GFADLP Cc1ccc(F)c(Br)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667161495 565573829 /nfs/dbraw/zinc/57/38/29/565573829.db2.gz JLKWSRYUIDMGRW-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1ccc(F)c(Br)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667161495 565573831 /nfs/dbraw/zinc/57/38/31/565573831.db2.gz JLKWSRYUIDMGRW-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214261 565590102 /nfs/dbraw/zinc/59/01/02/565590102.db2.gz QDGAZJRFXQSPMT-ZIAGYGMSSA-N 2 2 387.355 2.989 20 0 GFADLP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553583 565638811 /nfs/dbraw/zinc/63/88/11/565638811.db2.gz UCKPYCTVBYSXQR-OAHLLOKOSA-N 2 2 389.323 2.530 20 0 GFADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741597 565665046 /nfs/dbraw/zinc/66/50/46/565665046.db2.gz VNMKWYXUUKQZEK-GOSISDBHSA-N 2 2 393.325 2.756 20 0 GFADLP O[C@@H]1CC[N@H+](C2CC[NH+](CC3=Cc4cc(Br)ccc4OC3)CC2)C1 ZINC000668741597 565665047 /nfs/dbraw/zinc/66/50/47/565665047.db2.gz VNMKWYXUUKQZEK-GOSISDBHSA-N 2 2 393.325 2.756 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000647794222 565676641 /nfs/dbraw/zinc/67/66/41/565676641.db2.gz VHEYYMAMZAWFMX-IIAWOOMASA-N 3 2 377.330 2.925 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978658 565685870 /nfs/dbraw/zinc/68/58/70/565685870.db2.gz WIACTSNFXGXZLR-VYDXJSESSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978658 565685874 /nfs/dbraw/zinc/68/58/74/565685874.db2.gz WIACTSNFXGXZLR-VYDXJSESSA-N 2 2 380.330 2.687 20 0 GFADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971448 565686440 /nfs/dbraw/zinc/68/64/40/565686440.db2.gz IMUSCLHOCIGBDV-MRXNPFEDSA-N 2 2 385.346 2.993 20 0 GFADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000647971448 565686444 /nfs/dbraw/zinc/68/64/44/565686444.db2.gz IMUSCLHOCIGBDV-MRXNPFEDSA-N 2 2 385.346 2.993 20 0 GFADLP CC[C@H](Cn1cncn1)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000671120686 565753257 /nfs/dbraw/zinc/75/32/57/565753257.db2.gz IBQIMRBGVRRBDH-CQSZACIVSA-N 2 2 377.290 2.608 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200240 565830223 /nfs/dbraw/zinc/83/02/23/565830223.db2.gz HXWFZZOBZCMBDA-CYBMUJFWSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200240 565830230 /nfs/dbraw/zinc/83/02/30/565830230.db2.gz HXWFZZOBZCMBDA-CYBMUJFWSA-N 2 2 386.323 2.657 20 0 GFADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1Cl ZINC000631055568 565936571 /nfs/dbraw/zinc/93/65/71/565936571.db2.gz CLGPNGJOZIQUHD-UHFFFAOYSA-N 2 2 385.961 2.732 20 0 GFADLP Cc1c(Br)csc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000631275450 565951766 /nfs/dbraw/zinc/95/17/66/565951766.db2.gz DSKXVTATLWFVBO-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1c(Br)csc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000631275450 565951771 /nfs/dbraw/zinc/95/17/71/565951771.db2.gz DSKXVTATLWFVBO-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)CCCn3cc[nH+]c3)[nH+]c12 ZINC000680403705 566069765 /nfs/dbraw/zinc/06/97/65/566069765.db2.gz OWUIMRVBCCTGEW-UHFFFAOYSA-N 2 2 390.285 2.741 20 0 GFADLP Brc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655709401 566082892 /nfs/dbraw/zinc/08/28/92/566082892.db2.gz ZCBDCZQVQKEZTN-IEBWSBKVSA-N 2 2 394.357 2.871 20 0 GFADLP Brc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655709400 566083242 /nfs/dbraw/zinc/08/32/42/566083242.db2.gz ZCBDCZQVQKEZTN-HKUYNNGSSA-N 2 2 394.357 2.871 20 0 GFADLP OC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733696 566085551 /nfs/dbraw/zinc/08/55/51/566085551.db2.gz QAOUAHGJZIELGX-QZTJIDSGSA-N 2 2 383.330 2.716 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682187303 566146711 /nfs/dbraw/zinc/14/67/11/566146711.db2.gz SCNRUAHEGIPCMW-HOTGVXAUSA-N 2 2 398.276 2.862 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682187303 566146717 /nfs/dbraw/zinc/14/67/17/566146717.db2.gz SCNRUAHEGIPCMW-HOTGVXAUSA-N 2 2 398.276 2.862 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000682538209 566161478 /nfs/dbraw/zinc/16/14/78/566161478.db2.gz NRKMEOPGWIFSPW-ZDUSSCGKSA-N 2 2 377.286 2.908 20 0 GFADLP Cc1cccc2c(NC[C@@H](c3cccc(F)c3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410841 599257337 /nfs/dbraw/zinc/25/73/37/599257337.db2.gz UMKXRFKFLSTMAG-SFHVURJKSA-N 2 2 391.454 2.999 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000820127017 607331585 /nfs/dbraw/zinc/33/15/85/607331585.db2.gz HDVSKDUSMGXCQK-UHFFFAOYSA-N 2 2 389.935 2.515 20 0 GFADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821276445 599427677 /nfs/dbraw/zinc/42/76/77/599427677.db2.gz LMZHKMZAMJBAIV-CQSZACIVSA-N 2 2 399.474 2.592 20 0 GFADLP c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524886 607478999 /nfs/dbraw/zinc/47/89/99/607478999.db2.gz NWZIAQJDWXKXJE-QAPCUYQASA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524886 607479000 /nfs/dbraw/zinc/47/90/00/607479000.db2.gz NWZIAQJDWXKXJE-QAPCUYQASA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524886 607479002 /nfs/dbraw/zinc/47/90/02/607479002.db2.gz NWZIAQJDWXKXJE-QAPCUYQASA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524886 607479006 /nfs/dbraw/zinc/47/90/06/607479006.db2.gz NWZIAQJDWXKXJE-QAPCUYQASA-N 2 2 377.496 2.568 20 0 GFADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000822698952 607486390 /nfs/dbraw/zinc/48/63/90/607486390.db2.gz JJFHKFIOYFTALL-SFHVURJKSA-N 2 2 377.427 2.813 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826181637 607637007 /nfs/dbraw/zinc/63/70/07/607637007.db2.gz IIHYDLWNCGHUDK-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826181637 607637009 /nfs/dbraw/zinc/63/70/09/607637009.db2.gz IIHYDLWNCGHUDK-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826181637 607637011 /nfs/dbraw/zinc/63/70/11/607637011.db2.gz IIHYDLWNCGHUDK-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826181637 607637012 /nfs/dbraw/zinc/63/70/12/607637012.db2.gz IIHYDLWNCGHUDK-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521288 608135311 /nfs/dbraw/zinc/13/53/11/608135311.db2.gz HAIKQOBQKJKJKS-YTQUADARSA-N 2 2 378.480 2.850 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521288 608135312 /nfs/dbraw/zinc/13/53/12/608135312.db2.gz HAIKQOBQKJKJKS-YTQUADARSA-N 2 2 378.480 2.850 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1cncc(F)c1 ZINC000824548124 609406877 /nfs/dbraw/zinc/40/68/77/609406877.db2.gz VPUCTYIDXAVWIB-AWEZNQCLSA-N 2 2 381.459 2.716 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ncc1F ZINC000817951069 660212491 /nfs/dbraw/zinc/21/24/91/660212491.db2.gz AWVSWVDOXBAVAB-LLVKDONJSA-N 2 2 380.265 2.961 20 0 GFADLP C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000822797814 660354641 /nfs/dbraw/zinc/35/46/41/660354641.db2.gz LWBVTIQZYZUARQ-JVPBZIDWSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000822797814 660354644 /nfs/dbraw/zinc/35/46/44/660354644.db2.gz LWBVTIQZYZUARQ-JVPBZIDWSA-N 2 2 386.367 2.985 20 0 GFADLP Brc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000101726691 655046563 /nfs/dbraw/zinc/04/65/63/655046563.db2.gz PBTGDXNKMQLIDQ-UHFFFAOYSA-N 2 2 397.313 2.722 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000174301567 655198031 /nfs/dbraw/zinc/19/80/31/655198031.db2.gz WTBIJLQUVWJJAX-AWEZNQCLSA-N 2 2 398.345 2.785 20 0 GFADLP Cc1nn(C)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1Br ZINC000279166148 655327411 /nfs/dbraw/zinc/32/74/11/655327411.db2.gz QFVGNPTUYMUIRU-CQSZACIVSA-N 2 2 393.333 2.638 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749151 655888371 /nfs/dbraw/zinc/88/83/71/655888371.db2.gz GBIQXDVKCKBHBT-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000755749151 655888372 /nfs/dbraw/zinc/88/83/72/655888372.db2.gz GBIQXDVKCKBHBT-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104917 661233638 /nfs/dbraw/zinc/23/36/38/661233638.db2.gz WPQCURFULUJETO-GOEBONIOSA-N 2 2 393.329 2.815 20 0 GFADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccn4c3Br)CC2)C1 ZINC000841104918 661233700 /nfs/dbraw/zinc/23/37/00/661233700.db2.gz WPQCURFULUJETO-HOCLYGCPSA-N 2 2 393.329 2.815 20 0 GFADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccnc3Br)[nH+]c2)C1 ZINC000865290478 662410003 /nfs/dbraw/zinc/41/00/03/662410003.db2.gz FPRWKESRCTWRNU-HNNXBMFYSA-N 2 2 376.302 2.992 20 0 GFADLP C[N@@H+](Cc1cc(Br)c(Cl)c(Br)c1)C[C@H](O)C[NH3+] ZINC000872142558 662756451 /nfs/dbraw/zinc/75/64/51/662756451.db2.gz AGNNNFOXSNLIGH-MRVPVSSYSA-N 2 2 386.515 2.616 20 0 GFADLP C[N@H+](Cc1cc(Br)c(Cl)c(Br)c1)C[C@H](O)C[NH3+] ZINC000872142558 662756452 /nfs/dbraw/zinc/75/64/52/662756452.db2.gz AGNNNFOXSNLIGH-MRVPVSSYSA-N 2 2 386.515 2.616 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892047 662867808 /nfs/dbraw/zinc/86/78/08/662867808.db2.gz GFHQAVLRJMUDBR-HJPIBITLSA-N 2 2 375.822 2.571 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892047 662867809 /nfs/dbraw/zinc/86/78/09/662867809.db2.gz GFHQAVLRJMUDBR-HJPIBITLSA-N 2 2 375.822 2.571 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3nc(Cl)cs3)c2)C1 ZINC000877026444 662869790 /nfs/dbraw/zinc/86/97/90/662869790.db2.gz CYDNNWWBMXIGLZ-HNNXBMFYSA-N 2 2 378.929 2.784 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3nc(Cl)cs3)c2)C1 ZINC000877026444 662869792 /nfs/dbraw/zinc/86/97/92/662869792.db2.gz CYDNNWWBMXIGLZ-HNNXBMFYSA-N 2 2 378.929 2.784 20 0 GFADLP C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151576 662890910 /nfs/dbraw/zinc/89/09/10/662890910.db2.gz XUFXWKKUIFVVSP-JKSUJKDBSA-N 2 2 394.313 2.924 20 0 GFADLP C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151576 662890911 /nfs/dbraw/zinc/89/09/11/662890911.db2.gz XUFXWKKUIFVVSP-JKSUJKDBSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151576 662890913 /nfs/dbraw/zinc/89/09/13/662890913.db2.gz XUFXWKKUIFVVSP-JKSUJKDBSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151576 662890914 /nfs/dbraw/zinc/89/09/14/662890914.db2.gz XUFXWKKUIFVVSP-JKSUJKDBSA-N 2 2 394.313 2.924 20 0 GFADLP Cc1[nH]c(CNc2cc(Br)cnc2N2CC[NH+](C)CC2)[nH+]c1C ZINC000902104841 663755401 /nfs/dbraw/zinc/75/54/01/663755401.db2.gz QPPLCJIQIMVVTK-UHFFFAOYSA-N 2 2 379.306 2.548 20 0 GFADLP C[N@H+](CCOc1ccc(Cl)cc1Br)C1(C[NH3+])CCOCC1 ZINC000903807401 663807213 /nfs/dbraw/zinc/80/72/13/663807213.db2.gz CVCXZJXTALEMMV-UHFFFAOYSA-N 2 2 377.710 2.921 20 0 GFADLP C[N@@H+](CCOc1ccc(Cl)cc1Br)C1(C[NH3+])CCOCC1 ZINC000903807401 663807215 /nfs/dbraw/zinc/80/72/15/663807215.db2.gz CVCXZJXTALEMMV-UHFFFAOYSA-N 2 2 377.710 2.921 20 0 GFADLP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925111308 664666965 /nfs/dbraw/zinc/66/69/65/664666965.db2.gz BQXFBSJUTXJISW-GFCCVEGCSA-N 2 2 377.273 2.976 20 0 GFADLP [NH3+]C1([C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621830 719116500 /nfs/dbraw/zinc/11/65/00/719116500.db2.gz BDOSTAZOVRIZKP-HKUYNNGSSA-N 2 2 381.499 2.548 20 0 GFADLP [NH3+]C1([C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621830 719116503 /nfs/dbraw/zinc/11/65/03/719116503.db2.gz BDOSTAZOVRIZKP-HKUYNNGSSA-N 2 2 381.499 2.548 20 0 GFADLP Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)cc(C(C)C)[nH+]1 ZINC001164813471 720212599 /nfs/dbraw/zinc/21/25/99/720212599.db2.gz QAAVQTRJOQZAHI-UHFFFAOYSA-N 2 2 384.528 2.716 20 0 GFADLP Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc(C(C)C)[nH+]1 ZINC001164813471 720212604 /nfs/dbraw/zinc/21/26/04/720212604.db2.gz QAAVQTRJOQZAHI-UHFFFAOYSA-N 2 2 384.528 2.716 20 0 GFADLP Nc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164749911 720874967 /nfs/dbraw/zinc/87/49/67/720874967.db2.gz ICEYJUKQTVPLFQ-NZQKXSOJSA-N 2 2 393.535 2.814 20 0 GFADLP Nc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164749911 720874969 /nfs/dbraw/zinc/87/49/69/720874969.db2.gz ICEYJUKQTVPLFQ-NZQKXSOJSA-N 2 2 393.535 2.814 20 0 GFADLP Cc1cccc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164794785 721520882 /nfs/dbraw/zinc/52/08/82/721520882.db2.gz HQUWZTKEEXBKJI-UHFFFAOYSA-N 2 2 376.508 2.507 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccsc1 ZINC000045658554 551147178 /nfs/dbraw/zinc/14/71/78/551147178.db2.gz GYBLORIDEYFTKI-KRWDZBQOSA-N 2 2 378.567 2.940 20 0 GFADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000119131759 551215149 /nfs/dbraw/zinc/21/51/49/551215149.db2.gz NYJMLILLYDUEPI-AWEZNQCLSA-N 2 2 382.346 2.695 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000172807114 551686816 /nfs/dbraw/zinc/68/68/16/551686816.db2.gz XIJWUMWYCMSVCZ-CQSZACIVSA-N 2 2 398.345 2.785 20 0 GFADLP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000175082542 552115170 /nfs/dbraw/zinc/11/51/70/552115170.db2.gz NIOVBKWNYUMFQC-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[NH+]1CCC([NH2+]CC(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000177350804 552153935 /nfs/dbraw/zinc/15/39/35/552153935.db2.gz QKQCYYYJKIIFQH-UHFFFAOYSA-N 2 2 389.359 2.685 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000181038269 552243904 /nfs/dbraw/zinc/24/39/04/552243904.db2.gz HUXGXURINAIPDZ-ZFWWWQNUSA-N 2 2 386.323 2.577 20 0 GFADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000182903693 552295840 /nfs/dbraw/zinc/29/58/40/552295840.db2.gz MZKKKVSMRSNNPV-QGZVFWFLSA-N 2 2 396.373 2.930 20 0 GFADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000182903693 552295841 /nfs/dbraw/zinc/29/58/41/552295841.db2.gz MZKKKVSMRSNNPV-QGZVFWFLSA-N 2 2 396.373 2.930 20 0 GFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225667 552409659 /nfs/dbraw/zinc/40/96/59/552409659.db2.gz RDAFNNYIPWPZGD-NSHDSACASA-N 2 2 377.124 2.978 20 0 GFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000187225667 552409666 /nfs/dbraw/zinc/40/96/66/552409666.db2.gz RDAFNNYIPWPZGD-NSHDSACASA-N 2 2 377.124 2.978 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188078395 552434193 /nfs/dbraw/zinc/43/41/93/552434193.db2.gz VHHMQNITGDFWDB-UHFFFAOYSA-N 2 2 394.357 2.623 20 0 GFADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246467064 553108054 /nfs/dbraw/zinc/10/80/54/553108054.db2.gz GJKITCFWCGSSRH-YOEHRIQHSA-N 2 2 380.330 2.654 20 0 GFADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246467064 553108058 /nfs/dbraw/zinc/10/80/58/553108058.db2.gz GJKITCFWCGSSRH-YOEHRIQHSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000261631165 553154460 /nfs/dbraw/zinc/15/44/60/553154460.db2.gz BVCSZMZSWAQHMT-KRWDZBQOSA-N 2 2 377.286 2.752 20 0 GFADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261823874 553160531 /nfs/dbraw/zinc/16/05/31/553160531.db2.gz SWNLBFASJKQCGA-QGZVFWFLSA-N 2 2 379.302 2.792 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@@H]3c3ccncc3)c[nH+]c12 ZINC000261945573 553163639 /nfs/dbraw/zinc/16/36/39/553163639.db2.gz FHRIONJYPZSGSN-QGZVFWFLSA-N 2 2 386.297 2.947 20 0 GFADLP Ic1cnc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000512132998 564392286 /nfs/dbraw/zinc/39/22/86/564392286.db2.gz WVIMXWUXWJETLH-UHFFFAOYSA-N 2 2 384.246 2.728 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170201 563232422 /nfs/dbraw/zinc/23/24/22/563232422.db2.gz LJUJVTPIMXDCGQ-GJZGRUSLSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000295170201 563232425 /nfs/dbraw/zinc/23/24/25/563232425.db2.gz LJUJVTPIMXDCGQ-GJZGRUSLSA-N 2 2 384.293 2.505 20 0 GFADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486483 563258093 /nfs/dbraw/zinc/25/80/93/563258093.db2.gz PDCPVTZCLYKCIZ-BFYDXBDKSA-N 2 2 378.314 2.771 20 0 GFADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486483 563258095 /nfs/dbraw/zinc/25/80/95/563258095.db2.gz PDCPVTZCLYKCIZ-BFYDXBDKSA-N 2 2 378.314 2.771 20 0 GFADLP O=C1[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348381 563262197 /nfs/dbraw/zinc/26/21/97/563262197.db2.gz LETVBYPURRHICN-FUHWJXTLSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000420348381 563262200 /nfs/dbraw/zinc/26/22/00/563262200.db2.gz LETVBYPURRHICN-FUHWJXTLSA-N 2 2 378.314 2.630 20 0 GFADLP CCn1cc(Br)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371468220 563278608 /nfs/dbraw/zinc/27/86/08/563278608.db2.gz ACUXGFVNSAIJCT-CQSZACIVSA-N 2 2 397.361 2.511 20 0 GFADLP CCn1cc(Br)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371468220 563278611 /nfs/dbraw/zinc/27/86/11/563278611.db2.gz ACUXGFVNSAIJCT-CQSZACIVSA-N 2 2 397.361 2.511 20 0 GFADLP CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372331428 563302373 /nfs/dbraw/zinc/30/23/73/563302373.db2.gz ITQGBOSTXGHYCJ-AWEZNQCLSA-N 2 2 385.339 2.816 20 0 GFADLP CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372331428 563302376 /nfs/dbraw/zinc/30/23/76/563302376.db2.gz ITQGBOSTXGHYCJ-AWEZNQCLSA-N 2 2 385.339 2.816 20 0 GFADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)C(=O)C1 ZINC000373295655 563333762 /nfs/dbraw/zinc/33/37/62/563333762.db2.gz HIVJESXJZGVJFY-UHFFFAOYSA-N 2 2 376.551 2.610 20 0 GFADLP C[N@H+]1CCN(C2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)C(=O)C1 ZINC000373295655 563333767 /nfs/dbraw/zinc/33/37/67/563333767.db2.gz HIVJESXJZGVJFY-UHFFFAOYSA-N 2 2 376.551 2.610 20 0 GFADLP C[C@@H]1CN(CCOc2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373528980 563341624 /nfs/dbraw/zinc/34/16/24/563341624.db2.gz KFUVOPWZWQWQNC-MRXNPFEDSA-N 2 2 396.373 2.928 20 0 GFADLP C[C@@H]1CN(CCOc2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373528980 563341626 /nfs/dbraw/zinc/34/16/26/563341626.db2.gz KFUVOPWZWQWQNC-MRXNPFEDSA-N 2 2 396.373 2.928 20 0 GFADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422697034 563348381 /nfs/dbraw/zinc/34/83/81/563348381.db2.gz TXVBELQXIBXDIE-CXAGYDPISA-N 2 2 376.298 2.936 20 0 GFADLP C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422759582 563349412 /nfs/dbraw/zinc/34/94/12/563349412.db2.gz LBSDRWGICUCENT-DOMZBBRYSA-N 2 2 389.359 2.732 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944532 563351304 /nfs/dbraw/zinc/35/13/04/563351304.db2.gz MLFRYUXSMHKCCH-CRAIPNDOSA-N 2 2 397.357 2.854 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423092535 563354770 /nfs/dbraw/zinc/35/47/70/563354770.db2.gz CGJVBRYQQKHFFC-MRVPVSSYSA-N 2 2 380.657 2.651 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2ccccc2Br)CC1 ZINC000282709969 563422074 /nfs/dbraw/zinc/42/20/74/563422074.db2.gz KZUVRRZSXUYWCN-UHFFFAOYSA-N 2 2 396.373 2.869 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657077 563482325 /nfs/dbraw/zinc/48/23/25/563482325.db2.gz TUAOHSOGSCVKJZ-HNAYVOBHSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000377657077 563482328 /nfs/dbraw/zinc/48/23/28/563482328.db2.gz TUAOHSOGSCVKJZ-HNAYVOBHSA-N 2 2 396.373 2.916 20 0 GFADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1 ZINC000432855894 563595421 /nfs/dbraw/zinc/59/54/21/563595421.db2.gz XPAJQRMOSCRNLU-UHFFFAOYSA-N 2 2 378.885 2.528 20 0 GFADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237462 563607256 /nfs/dbraw/zinc/60/72/56/563607256.db2.gz XCNBQFSZPBLTBI-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237462 563607259 /nfs/dbraw/zinc/60/72/59/563607259.db2.gz XCNBQFSZPBLTBI-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237462 563607261 /nfs/dbraw/zinc/60/72/61/563607261.db2.gz XCNBQFSZPBLTBI-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237462 563607263 /nfs/dbraw/zinc/60/72/63/563607263.db2.gz XCNBQFSZPBLTBI-WMLDXEAASA-N 2 2 380.330 2.828 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH+]cc1Br ZINC000333359412 563628739 /nfs/dbraw/zinc/62/87/39/563628739.db2.gz SOAZMPNUHYKKIA-STQMWFEESA-N 2 2 396.333 2.764 20 0 GFADLP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cc(Cl)ccc1Cl ZINC000333841454 563643304 /nfs/dbraw/zinc/64/33/04/563643304.db2.gz LFIJWYFWFIJUHF-CJNGLKHVSA-N 2 2 384.307 2.632 20 0 GFADLP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cc(Cl)ccc1Cl ZINC000333841454 563643307 /nfs/dbraw/zinc/64/33/07/563643307.db2.gz LFIJWYFWFIJUHF-CJNGLKHVSA-N 2 2 384.307 2.632 20 0 GFADLP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616624 563729749 /nfs/dbraw/zinc/72/97/49/563729749.db2.gz SKPWFSFXLKAZQN-ROUUACIJSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616624 563729751 /nfs/dbraw/zinc/72/97/51/563729751.db2.gz SKPWFSFXLKAZQN-ROUUACIJSA-N 2 2 379.595 2.752 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232176 563779493 /nfs/dbraw/zinc/77/94/93/563779493.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292232176 563779495 /nfs/dbraw/zinc/77/94/95/563779495.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292232176 563779499 /nfs/dbraw/zinc/77/94/99/563779499.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292232176 563779501 /nfs/dbraw/zinc/77/95/01/563779501.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 2 394.357 2.824 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000445809354 563854260 /nfs/dbraw/zinc/85/42/60/563854260.db2.gz FDHQCERUOVGZQJ-UHFFFAOYSA-N 2 2 383.265 2.523 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279948 563891254 /nfs/dbraw/zinc/89/12/54/563891254.db2.gz ZXEHZOZMSOMDBE-AWEZNQCLSA-N 2 2 376.551 2.770 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279948 563891257 /nfs/dbraw/zinc/89/12/57/563891257.db2.gz ZXEHZOZMSOMDBE-AWEZNQCLSA-N 2 2 376.551 2.770 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987249 563893767 /nfs/dbraw/zinc/89/37/67/563893767.db2.gz OQLGLAJANPCZDQ-KBPBESRZSA-N 2 2 378.826 2.508 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987249 563893769 /nfs/dbraw/zinc/89/37/69/563893769.db2.gz OQLGLAJANPCZDQ-KBPBESRZSA-N 2 2 378.826 2.508 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389520 564184573 /nfs/dbraw/zinc/18/45/73/564184573.db2.gz SNKGMORRAHLWLD-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389520 564184577 /nfs/dbraw/zinc/18/45/77/564184577.db2.gz SNKGMORRAHLWLD-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449599496 564191030 /nfs/dbraw/zinc/19/10/30/564191030.db2.gz LESUXYGAQZGQRE-ALKREAHSSA-N 2 2 381.358 2.981 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449599496 564191033 /nfs/dbraw/zinc/19/10/33/564191033.db2.gz LESUXYGAQZGQRE-ALKREAHSSA-N 2 2 381.358 2.981 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000449600616 564191218 /nfs/dbraw/zinc/19/12/18/564191218.db2.gz OTAKLDYCHQAOBV-XJKCOSOUSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)C[N@H+]1C1CC1 ZINC000449600616 564191220 /nfs/dbraw/zinc/19/12/20/564191220.db2.gz OTAKLDYCHQAOBV-XJKCOSOUSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C[N@@H+]1C1CC1 ZINC000449686170 564197180 /nfs/dbraw/zinc/19/71/80/564197180.db2.gz VKXNNYOHRZWTST-BPLDGKMQSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)C[N@H+]1C1CC1 ZINC000449686170 564197184 /nfs/dbraw/zinc/19/71/84/564197184.db2.gz VKXNNYOHRZWTST-BPLDGKMQSA-N 2 2 385.321 2.954 20 0 GFADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)COc1cc(F)cc(Br)c1 ZINC000567690478 564383346 /nfs/dbraw/zinc/38/33/46/564383346.db2.gz BZZAIOKJYCICMA-OAHLLOKOSA-N 2 2 398.276 2.815 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000514870387 564461035 /nfs/dbraw/zinc/46/10/35/564461035.db2.gz JBAZCYYOUKDGQY-AWEZNQCLSA-N 2 2 391.339 2.558 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619427 564484103 /nfs/dbraw/zinc/48/41/03/564484103.db2.gz ILIHMZONBBFFGT-SJORKVTESA-N 2 2 378.929 2.775 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000515619427 564484106 /nfs/dbraw/zinc/48/41/06/564484106.db2.gz ILIHMZONBBFFGT-SJORKVTESA-N 2 2 378.929 2.775 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000516762716 564511595 /nfs/dbraw/zinc/51/15/95/564511595.db2.gz KZZJVDAGBLXMPM-NAHQNRHBSA-N 2 2 397.357 2.755 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571797572 564567365 /nfs/dbraw/zinc/56/73/65/564567365.db2.gz XGLJQYUFKVOEIO-JZXOWHBKSA-N 2 2 392.341 2.654 20 0 GFADLP C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C[NH+]1CCCC1 ZINC000519595090 564582722 /nfs/dbraw/zinc/58/27/22/564582722.db2.gz GJQQSCUUJDHWGE-CQSZACIVSA-N 2 2 389.359 2.544 20 0 GFADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238106 564618129 /nfs/dbraw/zinc/61/81/29/564618129.db2.gz RSCJHNMLJKYJGI-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238106 564618133 /nfs/dbraw/zinc/61/81/33/564618133.db2.gz RSCJHNMLJKYJGI-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238106 564618138 /nfs/dbraw/zinc/61/81/38/564618138.db2.gz RSCJHNMLJKYJGI-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238106 564618143 /nfs/dbraw/zinc/61/81/43/564618143.db2.gz RSCJHNMLJKYJGI-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905009 564670204 /nfs/dbraw/zinc/67/02/04/564670204.db2.gz BGOVRLMIUIVXMT-GOEBONIOSA-N 2 2 384.351 2.878 20 0 GFADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905009 564670206 /nfs/dbraw/zinc/67/02/06/564670206.db2.gz BGOVRLMIUIVXMT-GOEBONIOSA-N 2 2 384.351 2.878 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](C3CC3)[C@]3(CO)CCCO3)c[nH+]c12 ZINC000552422951 564690607 /nfs/dbraw/zinc/69/06/07/564690607.db2.gz KYGRUIWTPDZKPU-FUHWJXTLSA-N 2 2 394.313 2.815 20 0 GFADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487563122 564691136 /nfs/dbraw/zinc/69/11/36/564691136.db2.gz GJEQZTUGXOQTBA-HNNXBMFYSA-N 2 2 379.302 2.978 20 0 GFADLP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487563122 564691137 /nfs/dbraw/zinc/69/11/37/564691137.db2.gz GJEQZTUGXOQTBA-HNNXBMFYSA-N 2 2 379.302 2.978 20 0 GFADLP CCOc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc(Br)c1O ZINC000459478292 564746153 /nfs/dbraw/zinc/74/61/53/564746153.db2.gz MYBVSBLYWIKZKV-CYBMUJFWSA-N 2 2 387.318 2.754 20 0 GFADLP CSC[C@@H](O)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502744 564748655 /nfs/dbraw/zinc/74/86/55/564748655.db2.gz GLQBQNANQJIUQL-IBGZPJMESA-N 2 2 383.989 2.650 20 0 GFADLP C[NH+]1CCN(c2ccc(NCc3ncc(Br)cc3F)[nH+]c2)CC1 ZINC000527642643 564753273 /nfs/dbraw/zinc/75/32/73/564753273.db2.gz QFDGVSIOGVXNSJ-UHFFFAOYSA-N 2 2 380.265 2.742 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000556948445 564848114 /nfs/dbraw/zinc/84/81/14/564848114.db2.gz LSZKOTRXBHDYNU-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000556948445 564848117 /nfs/dbraw/zinc/84/81/17/564848117.db2.gz LSZKOTRXBHDYNU-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496737642 564861687 /nfs/dbraw/zinc/86/16/87/564861687.db2.gz KWRBJBVFRHSUGM-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CN(C(=O)c2cccc(F)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496737642 564861690 /nfs/dbraw/zinc/86/16/90/564861690.db2.gz KWRBJBVFRHSUGM-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1C ZINC000498249529 564893602 /nfs/dbraw/zinc/89/36/02/564893602.db2.gz FDTFSEPKFULXNI-OLZOCXBDSA-N 2 2 394.317 2.721 20 0 GFADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1C ZINC000498249529 564893605 /nfs/dbraw/zinc/89/36/05/564893605.db2.gz FDTFSEPKFULXNI-OLZOCXBDSA-N 2 2 394.317 2.721 20 0 GFADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498798294 564909989 /nfs/dbraw/zinc/90/99/89/564909989.db2.gz WIOKPVYZKFRHIB-UHFFFAOYSA-N 2 2 381.307 2.967 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000533568939 564966848 /nfs/dbraw/zinc/96/68/48/564966848.db2.gz MSTDWAKWGQZNPW-RHSMWYFYSA-N 2 2 391.313 2.987 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@@H](C[NH3+])C1 ZINC000560979226 564980169 /nfs/dbraw/zinc/98/01/69/564980169.db2.gz XXXHOFRTZSYDIF-JTQLQIEISA-N 2 2 378.876 2.804 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2SCC(F)F)[C@@H](C[NH3+])C1 ZINC000560979226 564980170 /nfs/dbraw/zinc/98/01/70/564980170.db2.gz XXXHOFRTZSYDIF-JTQLQIEISA-N 2 2 378.876 2.804 20 0 GFADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411675 565018883 /nfs/dbraw/zinc/01/88/83/565018883.db2.gz QJXCIFLPNJHPDD-AEFFLSMTSA-N 2 2 392.341 2.939 20 0 GFADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411675 565018887 /nfs/dbraw/zinc/01/88/87/565018887.db2.gz QJXCIFLPNJHPDD-AEFFLSMTSA-N 2 2 392.341 2.939 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989255 565051552 /nfs/dbraw/zinc/05/15/52/565051552.db2.gz GFDQIFHGOBJDPZ-TYNCELHUSA-N 2 2 378.847 2.501 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000562989255 565051554 /nfs/dbraw/zinc/05/15/54/565051554.db2.gz GFDQIFHGOBJDPZ-TYNCELHUSA-N 2 2 378.847 2.501 20 0 GFADLP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000616326640 565196859 /nfs/dbraw/zinc/19/68/59/565196859.db2.gz KITLUOJMLJUQOR-UHFFFAOYSA-N 2 2 380.330 2.624 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)c(Cl)c1 ZINC000617765674 565258145 /nfs/dbraw/zinc/25/81/45/565258145.db2.gz LMNVPMISZARGGG-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)c(Cl)c1 ZINC000617765674 565258151 /nfs/dbraw/zinc/25/81/51/565258151.db2.gz LMNVPMISZARGGG-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765560 565258508 /nfs/dbraw/zinc/25/85/08/565258508.db2.gz GQFCHAWHWKFPCE-HNNXBMFYSA-N 2 2 384.362 2.942 20 0 GFADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617765560 565258514 /nfs/dbraw/zinc/25/85/14/565258514.db2.gz GQFCHAWHWKFPCE-HNNXBMFYSA-N 2 2 384.362 2.942 20 0 GFADLP CN(CCC[N@H+](C)Cc1ncc(Br)cc1Cl)CC[NH+](C)C ZINC000660558936 565283056 /nfs/dbraw/zinc/28/30/56/565283056.db2.gz DZJCBZRBSOFTTQ-UHFFFAOYSA-N 2 2 377.758 2.813 20 0 GFADLP CN(CCC[N@@H+](C)Cc1ncc(Br)cc1Cl)CC[NH+](C)C ZINC000660558936 565283062 /nfs/dbraw/zinc/28/30/62/565283062.db2.gz DZJCBZRBSOFTTQ-UHFFFAOYSA-N 2 2 377.758 2.813 20 0 GFADLP O=C(C[N@@H+]1CCCc2sccc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000592982150 565305458 /nfs/dbraw/zinc/30/54/58/565305458.db2.gz FZJKIFMAMDSSGK-UHFFFAOYSA-N 2 2 375.563 2.902 20 0 GFADLP O=C(C[N@H+]1CCCc2sccc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000592982150 565305462 /nfs/dbraw/zinc/30/54/62/565305462.db2.gz FZJKIFMAMDSSGK-UHFFFAOYSA-N 2 2 375.563 2.902 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662279945 565357303 /nfs/dbraw/zinc/35/73/03/565357303.db2.gz BGIYWHWNPHIYCT-HZPDHXFCSA-N 2 2 384.318 2.571 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291133 565359458 /nfs/dbraw/zinc/35/94/58/565359458.db2.gz BKSBJAUCVILDBY-DOTOQJQBSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296477 565359550 /nfs/dbraw/zinc/35/95/50/565359550.db2.gz KYJGEFYQYOOUMW-RDJZCZTQSA-N 2 2 380.330 2.687 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296477 565359554 /nfs/dbraw/zinc/35/95/54/565359554.db2.gz KYJGEFYQYOOUMW-RDJZCZTQSA-N 2 2 380.330 2.687 20 0 GFADLP C[NH2+][C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367779 565362715 /nfs/dbraw/zinc/36/27/15/565362715.db2.gz GLKFNYFDMYMUJC-IIYDPXPESA-N 2 2 388.339 2.869 20 0 GFADLP C[NH2+][C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367779 565362721 /nfs/dbraw/zinc/36/27/21/565362721.db2.gz GLKFNYFDMYMUJC-IIYDPXPESA-N 2 2 388.339 2.869 20 0 GFADLP FC(F)(F)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641786869 565399852 /nfs/dbraw/zinc/39/98/52/565399852.db2.gz IJBDUXDDSKVNKN-CQSZACIVSA-N 2 2 377.476 2.653 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304400 565411620 /nfs/dbraw/zinc/41/16/20/565411620.db2.gz QBQWWGKACFTQON-CXAGYDPISA-N 2 2 396.329 2.619 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548340 565435181 /nfs/dbraw/zinc/43/51/81/565435181.db2.gz OAXHPWRLCWVUQX-QWRGUYRKSA-N 2 2 392.352 2.966 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000644601366 565483835 /nfs/dbraw/zinc/48/38/35/565483835.db2.gz HVSIUZWEFRRIIT-MRXNPFEDSA-N 2 2 379.298 2.737 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000644601366 565483842 /nfs/dbraw/zinc/48/38/42/565483842.db2.gz HVSIUZWEFRRIIT-MRXNPFEDSA-N 2 2 379.298 2.737 20 0 GFADLP CN(C(=O)c1cccc(F)c1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398545 565523951 /nfs/dbraw/zinc/52/39/51/565523951.db2.gz JYTWHJHSLKAGEY-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cccc(F)c1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398545 565523958 /nfs/dbraw/zinc/52/39/58/565523958.db2.gz JYTWHJHSLKAGEY-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccccc1 ZINC000666281700 565530711 /nfs/dbraw/zinc/53/07/11/565530711.db2.gz CPXWMFYBIDJQOS-MRXNPFEDSA-N 2 2 375.519 2.959 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000666435311 565538254 /nfs/dbraw/zinc/53/82/54/565538254.db2.gz ARMYPJVEJXVIRH-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)c(Br)cc1F ZINC000666435311 565538259 /nfs/dbraw/zinc/53/82/59/565538259.db2.gz ARMYPJVEJXVIRH-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP [NH3+]CC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(F)F ZINC000647071347 565635469 /nfs/dbraw/zinc/63/54/69/565635469.db2.gz NZEIKTBKXSJNPD-KGLIPLIRSA-N 2 2 390.272 2.685 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568453 565858981 /nfs/dbraw/zinc/85/89/81/565858981.db2.gz SNRDAUFXIVHUQY-WHOFXGATSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568453 565858983 /nfs/dbraw/zinc/85/89/83/565858983.db2.gz SNRDAUFXIVHUQY-WHOFXGATSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564663 565859185 /nfs/dbraw/zinc/85/91/85/565859185.db2.gz IIVVRXNQJFUKHT-KWCYVHTRSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564663 565859189 /nfs/dbraw/zinc/85/91/89/565859189.db2.gz IIVVRXNQJFUKHT-KWCYVHTRSA-N 2 2 377.838 2.804 20 0 GFADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603899 565863997 /nfs/dbraw/zinc/86/39/97/565863997.db2.gz QLGOZCABRBVYHS-SJORKVTESA-N 2 2 383.330 2.795 20 0 GFADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603899 565864001 /nfs/dbraw/zinc/86/40/01/565864001.db2.gz QLGOZCABRBVYHS-SJORKVTESA-N 2 2 383.330 2.795 20 0 GFADLP CC(C)[C@@H](C[NH2+]Cc1ncc(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000631038717 565935001 /nfs/dbraw/zinc/93/50/01/565935001.db2.gz IAIJWBAONBNAAC-MRXNPFEDSA-N 2 2 389.769 2.859 20 0 GFADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631079118 565938865 /nfs/dbraw/zinc/93/88/65/565938865.db2.gz YVQSAWTYJQVGNP-MJGOQNOKSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631079118 565938869 /nfs/dbraw/zinc/93/88/69/565938869.db2.gz YVQSAWTYJQVGNP-MJGOQNOKSA-N 2 2 390.325 2.817 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000653062839 565953508 /nfs/dbraw/zinc/95/35/08/565953508.db2.gz LYIJUHWGBWEABB-AWEZNQCLSA-N 2 2 397.342 2.714 20 0 GFADLP CN(C)c1nc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cs1 ZINC000678360425 566008647 /nfs/dbraw/zinc/00/86/47/566008647.db2.gz MPARCEDAZTWFPB-UHFFFAOYSA-N 2 2 379.961 2.904 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655729621 566084776 /nfs/dbraw/zinc/08/47/76/566084776.db2.gz MFIDAOMGFPRWSZ-ZDUSSCGKSA-N 2 2 394.313 2.872 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2oc3ccccc3c2Br)C1 ZINC000655729621 566084779 /nfs/dbraw/zinc/08/47/79/566084779.db2.gz MFIDAOMGFPRWSZ-ZDUSSCGKSA-N 2 2 394.313 2.872 20 0 GFADLP OC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733698 566086144 /nfs/dbraw/zinc/08/61/44/566086144.db2.gz QAOUAHGJZIELGX-ZWKOTPCHSA-N 2 2 383.330 2.716 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000684553050 566237983 /nfs/dbraw/zinc/23/79/83/566237983.db2.gz YOJCCVQACZNSPP-INIZCTEOSA-N 2 2 380.330 2.535 20 0 GFADLP Cc1cccc2c(NC[C@H](c3ccsc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407547 599268226 /nfs/dbraw/zinc/26/82/26/599268226.db2.gz CNIMFLGQANPTSS-MRXNPFEDSA-N 2 2 379.493 2.922 20 0 GFADLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821805622 599464189 /nfs/dbraw/zinc/46/41/89/599464189.db2.gz VNYIXOFCBOMFRK-SFHVURJKSA-N 2 2 389.463 2.682 20 0 GFADLP C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604881 599592817 /nfs/dbraw/zinc/59/28/17/599592817.db2.gz LPGPUHYPHZDNJQ-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821604881 599592819 /nfs/dbraw/zinc/59/28/19/599592819.db2.gz LPGPUHYPHZDNJQ-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821604881 599592821 /nfs/dbraw/zinc/59/28/21/599592821.db2.gz LPGPUHYPHZDNJQ-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[NH+](CCOc1ccccc1-c1nn[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821604881 599592824 /nfs/dbraw/zinc/59/28/24/599592824.db2.gz LPGPUHYPHZDNJQ-LJQANCHMSA-N 2 2 392.507 2.699 20 0 GFADLP C[N@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)Cc1ccc(F)cc1 ZINC000821602554 606402953 /nfs/dbraw/zinc/40/29/53/606402953.db2.gz ICYKCJGSDYCHIT-UHFFFAOYSA-N 2 2 377.427 2.520 20 0 GFADLP C[N@@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)Cc1ccc(F)cc1 ZINC000821602554 606402954 /nfs/dbraw/zinc/40/29/54/606402954.db2.gz ICYKCJGSDYCHIT-UHFFFAOYSA-N 2 2 377.427 2.520 20 0 GFADLP Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000826373186 608285721 /nfs/dbraw/zinc/28/57/21/608285721.db2.gz CNCGOIWLAJJEEN-UHFFFAOYSA-N 2 2 380.471 2.803 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655880 609251413 /nfs/dbraw/zinc/25/14/13/609251413.db2.gz GJEJZUICOIHDES-CZUORRHYSA-N 2 2 396.474 2.714 20 0 GFADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034443 609364762 /nfs/dbraw/zinc/36/47/62/609364762.db2.gz QVEXUFNOODKXSR-GOEBONIOSA-N 2 2 391.317 2.545 20 0 GFADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034443 609364764 /nfs/dbraw/zinc/36/47/64/609364764.db2.gz QVEXUFNOODKXSR-GOEBONIOSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034443 609364767 /nfs/dbraw/zinc/36/47/67/609364767.db2.gz QVEXUFNOODKXSR-GOEBONIOSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@H]21 ZINC000826034443 609364770 /nfs/dbraw/zinc/36/47/70/609364770.db2.gz QVEXUFNOODKXSR-GOEBONIOSA-N 2 2 391.317 2.545 20 0 GFADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000825280091 660418323 /nfs/dbraw/zinc/41/83/23/660418323.db2.gz XYKDEXVIBSCCMC-UHFFFAOYSA-N 2 2 394.361 2.603 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000827970889 660524832 /nfs/dbraw/zinc/52/48/32/660524832.db2.gz OQLRVLPVMQYLQQ-SFHVURJKSA-N 2 2 392.297 2.960 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2cccnc2Br)([NH+]2CCCCC2)CC1 ZINC000135916137 655025269 /nfs/dbraw/zinc/02/52/69/655025269.db2.gz LPQTUVMHBSVRLH-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3Br)CC2)CC1 ZINC000274913502 655207187 /nfs/dbraw/zinc/20/71/87/655207187.db2.gz NTDYZZRDMVXIKM-UHFFFAOYSA-N 2 2 395.345 2.615 20 0 GFADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185022140 655361870 /nfs/dbraw/zinc/36/18/70/655361870.db2.gz QQHBOTSXFKEBEA-STQMWFEESA-N 2 2 388.325 2.970 20 0 GFADLP CN(C(=O)[C@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245691851 655428198 /nfs/dbraw/zinc/42/81/98/655428198.db2.gz JUYZYQHUAGLDNN-KZNAEPCWSA-N 2 2 385.643 2.631 20 0 GFADLP CN(C(=O)[C@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245691851 655428199 /nfs/dbraw/zinc/42/81/99/655428199.db2.gz JUYZYQHUAGLDNN-KZNAEPCWSA-N 2 2 385.643 2.631 20 0 GFADLP C[NH+]1CCC(CNC(=S)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000840768589 661185765 /nfs/dbraw/zinc/18/57/65/661185765.db2.gz VKTIXCQNUHDAAR-UHFFFAOYSA-N 2 2 377.945 2.832 20 0 GFADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000752254196 655841589 /nfs/dbraw/zinc/84/15/89/655841589.db2.gz PYWHMPUMDFBPSP-GFCCVEGCSA-N 2 2 388.368 2.867 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=S)NCCCCC(F)(F)F)CC2)CC1 ZINC000794975896 658643602 /nfs/dbraw/zinc/64/36/02/658643602.db2.gz DHEOLJXHVBMQKS-UHFFFAOYSA-N 2 2 380.524 2.742 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240658 659967560 /nfs/dbraw/zinc/96/75/60/659967560.db2.gz DDPJILRQDKHSHP-OHRKKDJYSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)nc1 ZINC000810240658 659967565 /nfs/dbraw/zinc/96/75/65/659967565.db2.gz DDPJILRQDKHSHP-OHRKKDJYSA-N 2 2 395.345 2.578 20 0 GFADLP Cc1nc(Cl)c(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847409331 661591299 /nfs/dbraw/zinc/59/12/99/661591299.db2.gz MWXOLOFJJDICEL-UHFFFAOYSA-N 2 2 385.339 2.985 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cc1 ZINC000850350237 661771311 /nfs/dbraw/zinc/77/13/11/661771311.db2.gz QMUQGGHIUBHBRX-VWLOTQADSA-N 2 2 377.476 2.622 20 0 GFADLP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000866594737 662482850 /nfs/dbraw/zinc/48/28/50/662482850.db2.gz MGZDSVRRALAYLO-GJZGRUSLSA-N 2 2 381.314 2.596 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075644 662755299 /nfs/dbraw/zinc/75/52/99/662755299.db2.gz TUFGCGGFYZLUFW-QXAKKESOSA-N 2 2 397.357 2.963 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075644 662755301 /nfs/dbraw/zinc/75/53/01/662755301.db2.gz TUFGCGGFYZLUFW-QXAKKESOSA-N 2 2 397.357 2.963 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176472 663066583 /nfs/dbraw/zinc/06/65/83/663066583.db2.gz GPQWRAHEIGMCLH-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176472 663066585 /nfs/dbraw/zinc/06/65/85/663066585.db2.gz GPQWRAHEIGMCLH-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP Oc1cc(Br)cnc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000892453271 663374217 /nfs/dbraw/zinc/37/42/17/663374217.db2.gz TXGAUIXVCPKXLH-UHFFFAOYSA-N 2 2 392.297 2.672 20 0 GFADLP C[C@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000894094113 663442160 /nfs/dbraw/zinc/44/21/60/663442160.db2.gz JHPDQVUUNDLXQG-KBPBESRZSA-N 2 2 381.933 2.913 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000894094113 663442165 /nfs/dbraw/zinc/44/21/65/663442165.db2.gz JHPDQVUUNDLXQG-KBPBESRZSA-N 2 2 381.933 2.913 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)s1 ZINC000902806339 663767786 /nfs/dbraw/zinc/76/77/86/663767786.db2.gz KGELSEZVPTXYRR-UONOGXRCSA-N 2 2 377.476 2.824 20 0 GFADLP Brc1cccc2c1C[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768664 663806304 /nfs/dbraw/zinc/80/63/04/663806304.db2.gz ORMYWJUMZYPHLV-CQSZACIVSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1cccc2c1C[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768664 663806307 /nfs/dbraw/zinc/80/63/07/663806307.db2.gz ORMYWJUMZYPHLV-CQSZACIVSA-N 2 2 381.314 2.802 20 0 GFADLP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619107 663881738 /nfs/dbraw/zinc/88/17/38/663881738.db2.gz KLBMQDFYZMRBMX-KRWDZBQOSA-N 2 2 396.329 2.621 20 0 GFADLP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)Nc1cccc(Br)c1 ZINC000905619107 663881739 /nfs/dbraw/zinc/88/17/39/663881739.db2.gz KLBMQDFYZMRBMX-KRWDZBQOSA-N 2 2 396.329 2.621 20 0 GFADLP Cc1ccc(NC(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000923459082 664630891 /nfs/dbraw/zinc/63/08/91/664630891.db2.gz ZGQDYFNMYJENGE-AWEZNQCLSA-N 2 2 396.329 2.526 20 0 GFADLP CC(C)Oc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1Br ZINC000926185649 664684256 /nfs/dbraw/zinc/68/42/56/664684256.db2.gz USGQRKXNIHNOSE-UHFFFAOYSA-N 2 2 399.333 2.781 20 0 GFADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c([nH+]1)CCCC3)CCC2 ZINC001164813559 720220257 /nfs/dbraw/zinc/22/02/57/720220257.db2.gz PFTTYYRGGLUXMJ-UHFFFAOYSA-N 2 2 381.524 2.768 20 0 GFADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc3c([nH+]1)CCCC3)CCC2 ZINC001164813559 720220264 /nfs/dbraw/zinc/22/02/64/720220264.db2.gz PFTTYYRGGLUXMJ-UHFFFAOYSA-N 2 2 381.524 2.768 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838827 720584192 /nfs/dbraw/zinc/58/41/92/720584192.db2.gz MAUIVUFEOBUOIS-WAOWUJCRSA-N 2 2 380.540 2.848 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838827 720584207 /nfs/dbraw/zinc/58/42/07/720584207.db2.gz MAUIVUFEOBUOIS-WAOWUJCRSA-N 2 2 380.540 2.848 20 0 GFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4c3ccccc3)[nH+]2)CC1 ZINC001164844519 720765374 /nfs/dbraw/zinc/76/53/74/720765374.db2.gz CFPPHSFMOPVLFJ-VQTJNVASSA-N 2 2 391.519 2.608 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2)CC1 ZINC001164784299 721434946 /nfs/dbraw/zinc/43/49/46/721434946.db2.gz LAZBAYRWLKWZOX-CALCHBBNSA-N 3 2 399.564 2.579 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2)CC1 ZINC001164784299 721434947 /nfs/dbraw/zinc/43/49/47/721434947.db2.gz LAZBAYRWLKWZOX-CALCHBBNSA-N 3 2 399.564 2.579 20 0 GFADLP CCCc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)[nH+]1 ZINC001164983341 722129569 /nfs/dbraw/zinc/12/95/69/722129569.db2.gz UKADRKMESVOGGE-PZJWPPBQSA-N 2 2 381.524 2.860 20 0 GFADLP CCCc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C)[nH+]1 ZINC001164983341 722129570 /nfs/dbraw/zinc/12/95/70/722129570.db2.gz UKADRKMESVOGGE-PZJWPPBQSA-N 2 2 381.524 2.860 20 0 GFADLP C[C@@H](C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C[NH+]1CCOCC1 ZINC000120344097 551219431 /nfs/dbraw/zinc/21/94/31/551219431.db2.gz AXVVYJHVTLEDCN-AWEZNQCLSA-N 2 2 393.329 2.897 20 0 GFADLP COC1CC[NH+](CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000163630495 551621119 /nfs/dbraw/zinc/62/11/19/551621119.db2.gz NPALAOJUOMDUOR-CQSZACIVSA-N 2 2 398.345 2.867 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000182246761 552279619 /nfs/dbraw/zinc/27/96/19/552279619.db2.gz DZIUQHZWCGSFCE-UHFFFAOYSA-N 2 2 399.329 2.883 20 0 GFADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681240 552534789 /nfs/dbraw/zinc/53/47/89/552534789.db2.gz QPVPCWNUWFPJJU-HNNXBMFYSA-N 2 2 382.346 2.669 20 0 GFADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191681240 552534790 /nfs/dbraw/zinc/53/47/90/552534790.db2.gz QPVPCWNUWFPJJU-HNNXBMFYSA-N 2 2 382.346 2.669 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418573073 563219860 /nfs/dbraw/zinc/21/98/60/563219860.db2.gz UBAUHSYVIBOIML-XJKSGUPXSA-N 2 2 383.334 2.575 20 0 GFADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728429 563223404 /nfs/dbraw/zinc/22/34/04/563223404.db2.gz ZNJDGZAGTXOKBE-QAPCUYQASA-N 2 2 379.595 2.705 20 0 GFADLP CN(C(=O)[C@H]1SCCc2sccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728429 563223407 /nfs/dbraw/zinc/22/34/07/563223407.db2.gz ZNJDGZAGTXOKBE-QAPCUYQASA-N 2 2 379.595 2.705 20 0 GFADLP CN(C(=O)c1csc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829846 563257195 /nfs/dbraw/zinc/25/71/95/563257195.db2.gz JNEASALDHCCIQW-AWEZNQCLSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1csc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829846 563257197 /nfs/dbraw/zinc/25/71/97/563257197.db2.gz JNEASALDHCCIQW-AWEZNQCLSA-N 2 2 386.359 2.751 20 0 GFADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374706 563262836 /nfs/dbraw/zinc/26/28/36/563262836.db2.gz SFBUAOUIIKFHSJ-XJIUQZFPSA-N 2 2 382.346 2.772 20 0 GFADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000297593517 563330293 /nfs/dbraw/zinc/33/02/93/563330293.db2.gz PWBYABAKERBJAF-UHFFFAOYSA-N 2 2 391.313 2.735 20 0 GFADLP OC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000280495435 563339921 /nfs/dbraw/zinc/33/99/21/563339921.db2.gz BOZRAUHBKAXWBB-ZDUSSCGKSA-N 2 2 378.192 2.988 20 0 GFADLP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640086 563345314 /nfs/dbraw/zinc/34/53/14/563345314.db2.gz UWVALKRWLXYBEK-HZSPNIEDSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640086 563345316 /nfs/dbraw/zinc/34/53/16/563345316.db2.gz UWVALKRWLXYBEK-HZSPNIEDSA-N 2 2 389.359 2.528 20 0 GFADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423106032 563355155 /nfs/dbraw/zinc/35/51/55/563355155.db2.gz JFIAWEVNWLTBPQ-IUIKQTSFSA-N 2 2 375.257 2.974 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430462 563372095 /nfs/dbraw/zinc/37/20/95/563372095.db2.gz SLBVLZFGGDLORQ-BMFZPTHFSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430462 563372098 /nfs/dbraw/zinc/37/20/98/563372098.db2.gz SLBVLZFGGDLORQ-BMFZPTHFSA-N 2 2 397.313 2.861 20 0 GFADLP CCOc1cc(C[NH2+]C2CC[NH+](CCOC)CC2)cc(Br)c1O ZINC000299259879 563379155 /nfs/dbraw/zinc/37/91/55/563379155.db2.gz XPHNZZKBPUDMSY-UHFFFAOYSA-N 2 2 387.318 2.754 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374798020 563382219 /nfs/dbraw/zinc/38/22/19/563382219.db2.gz GOGOVWQZPLXVAA-HNNXBMFYSA-N 2 2 383.330 2.669 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000375002743 563387967 /nfs/dbraw/zinc/38/79/67/563387967.db2.gz DHYANUBXDWZLLJ-AWEZNQCLSA-N 2 2 379.551 2.711 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccccc1Br ZINC000375519565 563407915 /nfs/dbraw/zinc/40/79/15/563407915.db2.gz PEUCDTJIAVPGOW-FABXCBLPSA-N 2 2 377.286 2.853 20 0 GFADLP COc1cc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2cc1Br ZINC000425247839 563415105 /nfs/dbraw/zinc/41/51/05/563415105.db2.gz PJWJTSLUMTYCTJ-GFCCVEGCSA-N 2 2 378.270 2.527 20 0 GFADLP COc1cc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2cc1Br ZINC000425247839 563415106 /nfs/dbraw/zinc/41/51/06/563415106.db2.gz PJWJTSLUMTYCTJ-GFCCVEGCSA-N 2 2 378.270 2.527 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCn3cc(Br)cn3)sc2C1 ZINC000375738953 563416873 /nfs/dbraw/zinc/41/68/73/563416873.db2.gz VKGFDTCJWXFTLX-UHFFFAOYSA-N 2 2 384.347 2.658 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCn3cc(Br)cn3)sc2C1 ZINC000375738953 563416876 /nfs/dbraw/zinc/41/68/76/563416876.db2.gz VKGFDTCJWXFTLX-UHFFFAOYSA-N 2 2 384.347 2.658 20 0 GFADLP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000376470265 563443271 /nfs/dbraw/zinc/44/32/71/563443271.db2.gz AXHARKQFMIYLCL-KRWDZBQOSA-N 2 2 383.583 2.508 20 0 GFADLP O=S(=O)(c1cccs1)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000376470265 563443274 /nfs/dbraw/zinc/44/32/74/563443274.db2.gz AXHARKQFMIYLCL-KRWDZBQOSA-N 2 2 383.583 2.508 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377788550 563486228 /nfs/dbraw/zinc/48/62/28/563486228.db2.gz XFKWSFUCNDTDRI-QMMMGPOBSA-N 2 2 389.187 2.940 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377788550 563486233 /nfs/dbraw/zinc/48/62/33/563486233.db2.gz XFKWSFUCNDTDRI-QMMMGPOBSA-N 2 2 389.187 2.940 20 0 GFADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430580817 563545646 /nfs/dbraw/zinc/54/56/46/563545646.db2.gz NATKURHHCFHXLA-CYBMUJFWSA-N 2 2 384.318 2.606 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]cc1Br ZINC000333096753 563620246 /nfs/dbraw/zinc/62/02/46/563620246.db2.gz AHNNESNMWDEWBP-AWEZNQCLSA-N 2 2 396.333 2.906 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360694223 563694336 /nfs/dbraw/zinc/69/43/36/563694336.db2.gz VLVVFXNHHKMCRB-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360694223 563694339 /nfs/dbraw/zinc/69/43/39/563694339.db2.gz VLVVFXNHHKMCRB-YJBOKZPZSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019412 563695245 /nfs/dbraw/zinc/69/52/45/563695245.db2.gz ZWVNFPDSULOCDN-KDOFPFPSSA-N 2 2 384.362 2.990 20 0 GFADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019412 563695250 /nfs/dbraw/zinc/69/52/50/563695250.db2.gz ZWVNFPDSULOCDN-KDOFPFPSSA-N 2 2 384.362 2.990 20 0 GFADLP COC[C@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCC[NH2+]1 ZINC000414945908 563755579 /nfs/dbraw/zinc/75/55/79/563755579.db2.gz RKLQEWHVUKTNMW-OAHLLOKOSA-N 2 2 379.245 2.909 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134373 563760067 /nfs/dbraw/zinc/76/00/67/563760067.db2.gz DQNGCDZPDGRIEC-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415134373 563760072 /nfs/dbraw/zinc/76/00/72/563760072.db2.gz DQNGCDZPDGRIEC-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204642 563778658 /nfs/dbraw/zinc/77/86/58/563778658.db2.gz SODOAARSYNPXKY-KBXCAEBGSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204642 563778662 /nfs/dbraw/zinc/77/86/62/563778662.db2.gz SODOAARSYNPXKY-KBXCAEBGSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204642 563778664 /nfs/dbraw/zinc/77/86/64/563778664.db2.gz SODOAARSYNPXKY-KBXCAEBGSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@H](NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000292204642 563778667 /nfs/dbraw/zinc/77/86/67/563778667.db2.gz SODOAARSYNPXKY-KBXCAEBGSA-N 2 2 380.330 2.654 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365278295 563779590 /nfs/dbraw/zinc/77/95/90/563779590.db2.gz KRKKDZXNRDSIDK-QAPCUYQASA-N 2 2 387.615 2.857 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365278295 563779594 /nfs/dbraw/zinc/77/95/94/563779594.db2.gz KRKKDZXNRDSIDK-QAPCUYQASA-N 2 2 387.615 2.857 20 0 GFADLP Cc1c(Br)cccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365585703 563787741 /nfs/dbraw/zinc/78/77/41/563787741.db2.gz RAPLQQBAULMXHD-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1c(Br)cccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365585703 563787744 /nfs/dbraw/zinc/78/77/44/563787744.db2.gz RAPLQQBAULMXHD-AWEZNQCLSA-N 2 2 380.330 2.656 20 0 GFADLP C[NH+](C)C1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000416308497 563814844 /nfs/dbraw/zinc/81/48/44/563814844.db2.gz RENTXEKALOVBLY-INIZCTEOSA-N 2 2 380.330 2.796 20 0 GFADLP Brc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc2c1OCCCO2 ZINC000368082095 563863101 /nfs/dbraw/zinc/86/31/01/563863101.db2.gz RPWABNHVQDUMPC-GFCCVEGCSA-N 2 2 378.270 2.981 20 0 GFADLP Brc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc2c1OCCCO2 ZINC000368082095 563863104 /nfs/dbraw/zinc/86/31/04/563863104.db2.gz RPWABNHVQDUMPC-GFCCVEGCSA-N 2 2 378.270 2.981 20 0 GFADLP [NH3+]CC(F)(F)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000417002599 563865375 /nfs/dbraw/zinc/86/53/75/563865375.db2.gz VHDZHMHSWSRUSC-ZDUSSCGKSA-N 2 2 378.826 2.509 20 0 GFADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417218140 563873834 /nfs/dbraw/zinc/87/38/34/563873834.db2.gz KWBNJLFHPZWLLN-BXUZGUMPSA-N 2 2 380.290 2.508 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084625 563873960 /nfs/dbraw/zinc/87/39/60/563873960.db2.gz FCRYIGLUOUATCL-IUODEOHRSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)[C@H](C)C1 ZINC000447084625 563873963 /nfs/dbraw/zinc/87/39/63/563873963.db2.gz FCRYIGLUOUATCL-IUODEOHRSA-N 2 2 378.460 2.929 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)[nH+]c12 ZINC000418027762 563896007 /nfs/dbraw/zinc/89/60/07/563896007.db2.gz XJUOQLVVHAXLDX-OLZOCXBDSA-N 2 2 394.317 2.674 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449388546 564182957 /nfs/dbraw/zinc/18/29/57/564182957.db2.gz AJLKWSJKPRKEOU-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449388546 564182958 /nfs/dbraw/zinc/18/29/58/564182958.db2.gz AJLKWSJKPRKEOU-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP Cc1cc(C)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Br ZINC000450052103 564215600 /nfs/dbraw/zinc/21/56/00/564215600.db2.gz YMJFSUCDQOYCSZ-UHFFFAOYSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@](O)(CNc1cc[nH+]c2cc(F)c(Br)cc12)C[NH+]1CCOCC1 ZINC000450356024 564228593 /nfs/dbraw/zinc/22/85/93/564228593.db2.gz UDDDQYRPUSXNKH-QGZVFWFLSA-N 2 2 398.276 2.632 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000564320769 564229097 /nfs/dbraw/zinc/22/90/97/564229097.db2.gz OSSLYSTVWYMDRY-GVDBMIGSSA-N 2 2 393.329 2.652 20 0 GFADLP COCC[NH2+]C1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000565092260 564265510 /nfs/dbraw/zinc/26/55/10/564265510.db2.gz GZCDUKLKPOVMFE-UHFFFAOYSA-N 2 2 375.282 2.667 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH+](CCOC(C)C)CC3)c[nH+]c12 ZINC000542466174 564314548 /nfs/dbraw/zinc/31/45/48/564314548.db2.gz HUAZMHKJDDXOTD-UHFFFAOYSA-N 2 2 395.345 2.948 20 0 GFADLP O=C(C[NH2+][C@@H](c1ccccc1)c1ccccc1Br)N1CC[NH2+]CC1 ZINC000566791079 564344114 /nfs/dbraw/zinc/34/41/14/564344114.db2.gz OYPIVOVVGMNQBN-IBGZPJMESA-N 2 2 388.309 2.560 20 0 GFADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698896 564360804 /nfs/dbraw/zinc/36/08/04/564360804.db2.gz DWOJDDBMEIDIJR-CYBMUJFWSA-N 2 2 396.333 2.935 20 0 GFADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000543698896 564360806 /nfs/dbraw/zinc/36/08/06/564360806.db2.gz DWOJDDBMEIDIJR-CYBMUJFWSA-N 2 2 396.333 2.935 20 0 GFADLP CCCNC(c1nc2c(s1)C[NH+](C)CC2)c1nc2c(s1)C[N@H+](C)CC2 ZINC000544368585 564384162 /nfs/dbraw/zinc/38/41/62/564384162.db2.gz UVTKWIPAQRKHLH-UHFFFAOYSA-N 2 2 377.583 2.664 20 0 GFADLP CCCNC(c1nc2c(s1)C[NH+](C)CC2)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000544368585 564384165 /nfs/dbraw/zinc/38/41/65/564384165.db2.gz UVTKWIPAQRKHLH-UHFFFAOYSA-N 2 2 377.583 2.664 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)s1 ZINC000511928810 564385961 /nfs/dbraw/zinc/38/59/61/564385961.db2.gz XJTHFVUTFPVVQV-NSHDSACASA-N 2 2 382.892 2.892 20 0 GFADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000568167157 564407053 /nfs/dbraw/zinc/40/70/53/564407053.db2.gz AQLQLILUCZYJFV-HNNXBMFYSA-N 2 2 380.279 2.644 20 0 GFADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332543 564414735 /nfs/dbraw/zinc/41/47/35/564414735.db2.gz CWIPAMBEPRUHQW-AWEZNQCLSA-N 2 2 378.318 2.851 20 0 GFADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332543 564414739 /nfs/dbraw/zinc/41/47/39/564414739.db2.gz CWIPAMBEPRUHQW-AWEZNQCLSA-N 2 2 378.318 2.851 20 0 GFADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562629 564458928 /nfs/dbraw/zinc/45/89/28/564458928.db2.gz BTJMJLMNWMVXOQ-MRXNPFEDSA-N 2 2 382.327 2.729 20 0 GFADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000546562629 564458935 /nfs/dbraw/zinc/45/89/35/564458935.db2.gz BTJMJLMNWMVXOQ-MRXNPFEDSA-N 2 2 382.327 2.729 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000569385995 564460876 /nfs/dbraw/zinc/46/08/76/564460876.db2.gz NISXZUNUBWNXEU-CHWSQXEVSA-N 2 2 386.309 2.791 20 0 GFADLP CCS[C@H]1CCCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000480887026 564493910 /nfs/dbraw/zinc/49/39/10/564493910.db2.gz WNDGAWUCEGBWHQ-KRWDZBQOSA-N 2 2 381.611 3.000 20 0 GFADLP CCS[C@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000480887026 564493912 /nfs/dbraw/zinc/49/39/12/564493912.db2.gz WNDGAWUCEGBWHQ-KRWDZBQOSA-N 2 2 381.611 3.000 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516185999 564496155 /nfs/dbraw/zinc/49/61/55/564496155.db2.gz UKMZCSCNKSGFPN-KBPBESRZSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516185999 564496160 /nfs/dbraw/zinc/49/61/60/564496160.db2.gz UKMZCSCNKSGFPN-KBPBESRZSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516185999 564496162 /nfs/dbraw/zinc/49/61/62/564496162.db2.gz UKMZCSCNKSGFPN-KBPBESRZSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516185999 564496163 /nfs/dbraw/zinc/49/61/63/564496163.db2.gz UKMZCSCNKSGFPN-KBPBESRZSA-N 2 2 377.476 2.877 20 0 GFADLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000482035244 564532499 /nfs/dbraw/zinc/53/24/99/564532499.db2.gz FDPAZXJGSSMHKV-MRXNPFEDSA-N 2 2 381.973 2.812 20 0 GFADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000482035244 564532500 /nfs/dbraw/zinc/53/25/00/564532500.db2.gz FDPAZXJGSSMHKV-MRXNPFEDSA-N 2 2 381.973 2.812 20 0 GFADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000483275479 564562633 /nfs/dbraw/zinc/56/26/33/564562633.db2.gz FYSOHPQRAFLJCI-HNNXBMFYSA-N 2 2 394.317 2.770 20 0 GFADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000483275479 564562636 /nfs/dbraw/zinc/56/26/36/564562636.db2.gz FYSOHPQRAFLJCI-HNNXBMFYSA-N 2 2 394.317 2.770 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2Br)C1=O ZINC000519521738 564579756 /nfs/dbraw/zinc/57/97/56/564579756.db2.gz LPQJUICOTJISJJ-CQSZACIVSA-N 2 2 395.276 2.603 20 0 GFADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000485592908 564621312 /nfs/dbraw/zinc/62/13/12/564621312.db2.gz PEVIMFHJXKTZKB-JKSUJKDBSA-N 2 2 381.973 2.983 20 0 GFADLP CC[NH+](CC)CCSCC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456681554 564624510 /nfs/dbraw/zinc/62/45/10/564624510.db2.gz WQXMMETWYNGBPX-UHFFFAOYSA-N 2 2 389.363 2.924 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685662 564756865 /nfs/dbraw/zinc/75/68/65/564756865.db2.gz AZJFEZQEMRGWAQ-RVZJWNSFSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685662 564756869 /nfs/dbraw/zinc/75/68/69/564756869.db2.gz AZJFEZQEMRGWAQ-RVZJWNSFSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000459710918 564757533 /nfs/dbraw/zinc/75/75/33/564757533.db2.gz UYKCNYOIWKDQKX-IFIJOSMWSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000459710918 564757537 /nfs/dbraw/zinc/75/75/37/564757537.db2.gz UYKCNYOIWKDQKX-IFIJOSMWSA-N 2 2 385.321 2.954 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000581079802 564786519 /nfs/dbraw/zinc/78/65/19/564786519.db2.gz IPLVWBUHRIYOAA-UHFFFAOYSA-N 2 2 398.345 2.603 20 0 GFADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)CC2 ZINC000493916616 564812711 /nfs/dbraw/zinc/81/27/11/564812711.db2.gz LOMDJKVLXBALOV-KRWDZBQOSA-N 2 2 394.357 2.887 20 0 GFADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000493962517 564815152 /nfs/dbraw/zinc/81/51/52/564815152.db2.gz UYQQGQLSKTYCMJ-HOTGVXAUSA-N 2 2 380.330 2.674 20 0 GFADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000493962517 564815155 /nfs/dbraw/zinc/81/51/55/564815155.db2.gz UYQQGQLSKTYCMJ-HOTGVXAUSA-N 2 2 380.330 2.674 20 0 GFADLP C[NH+]1CCN(CCCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000583642819 564900676 /nfs/dbraw/zinc/90/06/76/564900676.db2.gz XBOLXFRMOIEAIO-UHFFFAOYSA-N 2 2 376.289 2.845 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988241 564952193 /nfs/dbraw/zinc/95/21/93/564952193.db2.gz IIUKMTKHUGRCAM-BBRMVZONSA-N 2 2 393.329 2.762 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988241 564952196 /nfs/dbraw/zinc/95/21/96/564952196.db2.gz IIUKMTKHUGRCAM-BBRMVZONSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988241 564952199 /nfs/dbraw/zinc/95/21/99/564952199.db2.gz IIUKMTKHUGRCAM-BBRMVZONSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988241 564952201 /nfs/dbraw/zinc/95/22/01/564952201.db2.gz IIUKMTKHUGRCAM-BBRMVZONSA-N 2 2 393.329 2.762 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720898 565208547 /nfs/dbraw/zinc/20/85/47/565208547.db2.gz LASFBOFDWMSQGT-ZBFHGGJFSA-N 2 2 379.551 2.538 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000638720898 565208551 /nfs/dbraw/zinc/20/85/51/565208551.db2.gz LASFBOFDWMSQGT-ZBFHGGJFSA-N 2 2 379.551 2.538 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]Cc2ccccc21 ZINC000659292852 565210045 /nfs/dbraw/zinc/21/00/45/565210045.db2.gz AETPFISTLRYMBD-UHFFFAOYSA-N 2 2 378.295 2.864 20 0 GFADLP COc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(I)c1OC ZINC000591275689 565220916 /nfs/dbraw/zinc/22/09/16/565220916.db2.gz ZJWBGOPISOGTJI-GFCCVEGCSA-N 2 2 390.265 2.540 20 0 GFADLP CO[C@]1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCOC1 ZINC000639174451 565230481 /nfs/dbraw/zinc/23/04/81/565230481.db2.gz BUZVIFGSCDNKFH-INIZCTEOSA-N 2 2 384.274 2.546 20 0 GFADLP CCn1cc[nH+]c1[C@H](NC[C@@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581389 565234009 /nfs/dbraw/zinc/23/40/09/565234009.db2.gz UMXKAXSAJHDWAN-BXUZGUMPSA-N 2 2 384.265 2.534 20 0 GFADLP C[C@@H](CC[NH+](C)C)Nc1nc[nH+]c(N[C@@H](C)CC[NH+](C)C)c1Br ZINC000663453800 565422774 /nfs/dbraw/zinc/42/27/74/565422774.db2.gz WLMFKHMEEBCSNT-STQMWFEESA-N 3 2 387.370 2.743 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624134451 565545147 /nfs/dbraw/zinc/54/51/47/565545147.db2.gz VGXALYKRIBYENA-MRXNPFEDSA-N 2 2 384.318 2.586 20 0 GFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531001 565593345 /nfs/dbraw/zinc/59/33/45/565593345.db2.gz SDMMPINMPYENHJ-CYBMUJFWSA-N 2 2 392.301 2.737 20 0 GFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531001 565593348 /nfs/dbraw/zinc/59/33/48/565593348.db2.gz SDMMPINMPYENHJ-CYBMUJFWSA-N 2 2 392.301 2.737 20 0 GFADLP O[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000647174491 565644162 /nfs/dbraw/zinc/64/41/62/565644162.db2.gz CSUOEUFWJOWXRJ-LBPRGKRZSA-N 2 2 379.245 2.597 20 0 GFADLP CN(Cc1ncc(Br)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000628278768 565782041 /nfs/dbraw/zinc/78/20/41/565782041.db2.gz GVXCOQDRYQLHIN-OAHLLOKOSA-N 2 2 385.325 2.584 20 0 GFADLP CN(Cc1ncc(Br)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000628278768 565782042 /nfs/dbraw/zinc/78/20/42/565782042.db2.gz GVXCOQDRYQLHIN-OAHLLOKOSA-N 2 2 385.325 2.584 20 0 GFADLP Clc1cccc2c1SCC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886941 565920167 /nfs/dbraw/zinc/92/01/67/565920167.db2.gz PYLJYENOPBYASQ-CRAIPNDOSA-N 2 2 381.973 2.873 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079165 565954351 /nfs/dbraw/zinc/95/43/51/565954351.db2.gz VELALAPEOSWKLM-ZWKOTPCHSA-N 2 2 390.325 2.934 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000653115488 565955628 /nfs/dbraw/zinc/95/56/28/565955628.db2.gz QGYAIAKXVSHPFH-HNNXBMFYSA-N 2 2 393.285 2.854 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000653166007 565957631 /nfs/dbraw/zinc/95/76/31/565957631.db2.gz QDYLJQURWPICFT-IRXDYDNUSA-N 2 2 382.346 2.652 20 0 GFADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007353 565993453 /nfs/dbraw/zinc/99/34/53/565993453.db2.gz WANGQCITKHBFAT-RHSMWYFYSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007353 565993457 /nfs/dbraw/zinc/99/34/57/565993457.db2.gz WANGQCITKHBFAT-RHSMWYFYSA-N 2 2 394.357 2.837 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH+](C[C@H]4CCCO4)CC3)c[nH+]c12 ZINC000680326070 566067273 /nfs/dbraw/zinc/06/72/73/566067273.db2.gz BILLBIWSHGSRCT-QGZVFWFLSA-N 2 2 393.329 2.702 20 0 GFADLP Brc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655761778 566087213 /nfs/dbraw/zinc/08/72/13/566087213.db2.gz PGXBESATWRXCOH-MJGOQNOKSA-N 2 2 394.357 2.871 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)cc1O ZINC000655792568 566089775 /nfs/dbraw/zinc/08/97/75/566089775.db2.gz LMYWDAFQHXCCSL-AWEZNQCLSA-N 2 2 385.302 2.506 20 0 GFADLP Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000822191751 599107120 /nfs/dbraw/zinc/10/71/20/599107120.db2.gz PNEFMHISEUSHCQ-SFHVURJKSA-N 2 2 377.496 2.837 20 0 GFADLP Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000822191751 599107123 /nfs/dbraw/zinc/10/71/23/599107123.db2.gz PNEFMHISEUSHCQ-SFHVURJKSA-N 2 2 377.496 2.837 20 0 GFADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](Cc4ccco4)CC3)c2c1 ZINC000737247976 599262513 /nfs/dbraw/zinc/26/25/13/599262513.db2.gz CILNQXSVVQRJBJ-UHFFFAOYSA-N 2 2 389.463 2.947 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826169518 608358499 /nfs/dbraw/zinc/35/84/99/608358499.db2.gz VXRSCKMJIXGJSE-QGZVFWFLSA-N 2 2 384.528 2.963 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826169518 608358501 /nfs/dbraw/zinc/35/85/01/608358501.db2.gz VXRSCKMJIXGJSE-QGZVFWFLSA-N 2 2 384.528 2.963 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)cn1 ZINC000826330834 608502482 /nfs/dbraw/zinc/50/24/82/608502482.db2.gz JXNGLAZFDDDQDG-LJQANCHMSA-N 2 2 386.463 2.923 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655032 609251619 /nfs/dbraw/zinc/25/16/19/609251619.db2.gz AUWYTVVIZDXCIC-KSSFIOAISA-N 2 2 378.484 2.575 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@H](C)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000834502815 660822703 /nfs/dbraw/zinc/82/27/03/660822703.db2.gz UJCBJXUJZNCEQK-CHWSQXEVSA-N 2 2 375.380 2.828 20 0 GFADLP CC(C)C[C@H]([NH2+][C@@H](C)c1nc(Br)cs1)C(=O)NCC[NH+](C)C ZINC000834733596 660831532 /nfs/dbraw/zinc/83/15/32/660831532.db2.gz PBTVVLADDVYVCM-RYUDHWBXSA-N 2 2 391.379 2.649 20 0 GFADLP CC1CC[NH+](C[C@@H](O)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000067122369 654930820 /nfs/dbraw/zinc/93/08/20/654930820.db2.gz OPFOFBYQGCKJMA-SFHVURJKSA-N 2 2 395.341 2.907 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945644 654992432 /nfs/dbraw/zinc/99/24/32/654992432.db2.gz UFNQXEBZNXERQX-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000268945644 654992434 /nfs/dbraw/zinc/99/24/34/654992434.db2.gz UFNQXEBZNXERQX-JKSUJKDBSA-N 2 2 396.329 2.592 20 0 GFADLP COc1ccc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000120475574 655336829 /nfs/dbraw/zinc/33/68/29/655336829.db2.gz DYJKTAOCRRFVJA-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1ccc(Br)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000120475574 655336831 /nfs/dbraw/zinc/33/68/31/655336831.db2.gz DYJKTAOCRRFVJA-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000186588425 655370188 /nfs/dbraw/zinc/37/01/88/655370188.db2.gz UCXOMMURFSDYEU-OLZOCXBDSA-N 2 2 388.325 2.970 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000574904635 655433285 /nfs/dbraw/zinc/43/32/85/655433285.db2.gz QKSDANKEMUZEQJ-KRWDZBQOSA-N 2 2 393.329 2.720 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638872 655463524 /nfs/dbraw/zinc/46/35/24/655463524.db2.gz CVXUEZIOIQFFJG-CQSZACIVSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638872 655463527 /nfs/dbraw/zinc/46/35/27/655463527.db2.gz CVXUEZIOIQFFJG-CQSZACIVSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638872 655463530 /nfs/dbraw/zinc/46/35/30/655463530.db2.gz CVXUEZIOIQFFJG-CQSZACIVSA-N 2 2 377.476 2.831 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)CC(F)(F)F)C2)s1 ZINC000577638872 655463532 /nfs/dbraw/zinc/46/35/32/655463532.db2.gz CVXUEZIOIQFFJG-CQSZACIVSA-N 2 2 377.476 2.831 20 0 GFADLP C[NH+](C)C1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CCC1 ZINC000787669153 657584439 /nfs/dbraw/zinc/58/44/39/657584439.db2.gz KEGJZQFVGJDHFU-UHFFFAOYSA-N 2 2 395.345 2.624 20 0 GFADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1Br ZINC000794355418 658522597 /nfs/dbraw/zinc/52/25/97/658522597.db2.gz MFGJBRVFSYUHNQ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1Br ZINC000794355418 658522613 /nfs/dbraw/zinc/52/26/13/658522613.db2.gz MFGJBRVFSYUHNQ-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP O=S(=O)(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000843364028 661378694 /nfs/dbraw/zinc/37/86/94/661378694.db2.gz LNJSGRJVBYNMDL-UHFFFAOYSA-N 2 2 377.337 2.843 20 0 GFADLP O=S(=O)(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1Cl ZINC000843364028 661378697 /nfs/dbraw/zinc/37/86/97/661378697.db2.gz LNJSGRJVBYNMDL-UHFFFAOYSA-N 2 2 377.337 2.843 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861327 662703741 /nfs/dbraw/zinc/70/37/41/662703741.db2.gz QIXRBDRYWPCISA-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861327 662703743 /nfs/dbraw/zinc/70/37/43/662703743.db2.gz QIXRBDRYWPCISA-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000877152360 662871772 /nfs/dbraw/zinc/87/17/72/662871772.db2.gz MABZQHKAAYVKED-UHFFFAOYSA-N 2 2 378.929 2.912 20 0 GFADLP COCC[N@@H+](Cc1snc(OC)c1Br)CC1CC[NH+](C)CC1 ZINC000877664533 662881234 /nfs/dbraw/zinc/88/12/34/662881234.db2.gz QMNCWXRCFSWYCI-UHFFFAOYSA-N 2 2 392.363 2.704 20 0 GFADLP COCC[N@H+](Cc1snc(OC)c1Br)CC1CC[NH+](C)CC1 ZINC000877664533 662881237 /nfs/dbraw/zinc/88/12/37/662881237.db2.gz QMNCWXRCFSWYCI-UHFFFAOYSA-N 2 2 392.363 2.704 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000877894380 662885479 /nfs/dbraw/zinc/88/54/79/662885479.db2.gz LGXPNJPNYHXQAD-LJQANCHMSA-N 2 2 375.563 2.968 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000877894380 662885480 /nfs/dbraw/zinc/88/54/80/662885480.db2.gz LGXPNJPNYHXQAD-LJQANCHMSA-N 2 2 375.563 2.968 20 0 GFADLP C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151573 662890988 /nfs/dbraw/zinc/89/09/88/662890988.db2.gz XUFXWKKUIFVVSP-CVEARBPZSA-N 2 2 394.313 2.924 20 0 GFADLP C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151573 662890989 /nfs/dbraw/zinc/89/09/89/662890989.db2.gz XUFXWKKUIFVVSP-CVEARBPZSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151573 662890990 /nfs/dbraw/zinc/89/09/90/662890990.db2.gz XUFXWKKUIFVVSP-CVEARBPZSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151573 662890991 /nfs/dbraw/zinc/89/09/91/662890991.db2.gz XUFXWKKUIFVVSP-CVEARBPZSA-N 2 2 394.313 2.924 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571962 663469618 /nfs/dbraw/zinc/46/96/18/663469618.db2.gz BGQNNXGJHPQHBD-ZDUSSCGKSA-N 2 2 381.933 2.746 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000894571962 663469620 /nfs/dbraw/zinc/46/96/20/663469620.db2.gz BGQNNXGJHPQHBD-ZDUSSCGKSA-N 2 2 381.933 2.746 20 0 GFADLP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000895120438 663499957 /nfs/dbraw/zinc/49/99/57/663499957.db2.gz CUESHWKUVPLNCC-UHFFFAOYSA-N 2 2 396.329 2.704 20 0 GFADLP CC(=O)Nc1cc(Br)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000895120438 663499962 /nfs/dbraw/zinc/49/99/62/663499962.db2.gz CUESHWKUVPLNCC-UHFFFAOYSA-N 2 2 396.329 2.704 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Cl)cc2OCC(F)F)CC1 ZINC000926121335 664682261 /nfs/dbraw/zinc/68/22/61/664682261.db2.gz QJSOKRYYZYFRGB-UHFFFAOYSA-N 2 2 376.835 2.529 20 0 GFADLP Cc1c(Br)cc(F)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621435 664830213 /nfs/dbraw/zinc/83/02/13/664830213.db2.gz KMUCZQDYJZAGFL-AWEZNQCLSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)cc(F)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621435 664830215 /nfs/dbraw/zinc/83/02/15/664830215.db2.gz KMUCZQDYJZAGFL-AWEZNQCLSA-N 2 2 398.320 2.795 20 0 GFADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615492 719004136 /nfs/dbraw/zinc/00/41/36/719004136.db2.gz HBLSAIVSHYDEIX-YOUFYPILSA-N 2 2 386.540 2.748 20 0 GFADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[C@@H](C2)[C@H](C(=O)OCC)[NH2+]3)nc1 ZINC001164615492 719004142 /nfs/dbraw/zinc/00/41/42/719004142.db2.gz HBLSAIVSHYDEIX-YOUFYPILSA-N 2 2 386.540 2.748 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735741 720428561 /nfs/dbraw/zinc/42/85/61/720428561.db2.gz YJKUWJKVNREMKE-VQTJNVASSA-N 2 2 391.475 2.988 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735741 720428568 /nfs/dbraw/zinc/42/85/68/720428568.db2.gz YJKUWJKVNREMKE-VQTJNVASSA-N 2 2 391.475 2.988 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743136 720846658 /nfs/dbraw/zinc/84/66/58/720846658.db2.gz IWYMRSPUATWULY-VAMGGRTRSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743136 720846659 /nfs/dbraw/zinc/84/66/59/720846659.db2.gz IWYMRSPUATWULY-VAMGGRTRSA-N 2 2 395.555 2.879 20 0 GFADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]ccc3cc(Cl)ccc31)CC2 ZINC001164749577 720951906 /nfs/dbraw/zinc/95/19/06/720951906.db2.gz HVWRHZPTKWYYLM-UHFFFAOYSA-N 2 2 399.882 2.730 20 0 GFADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cc(C)cc3N)C2)C1 ZINC001164783979 721361397 /nfs/dbraw/zinc/36/13/97/721361397.db2.gz QBSZJJZEJWYQPI-OAQYLSRUSA-N 2 2 385.512 2.696 20 0 GFADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cc(C)cc3N)C2)C1 ZINC001164783979 721361404 /nfs/dbraw/zinc/36/14/04/721361404.db2.gz QBSZJJZEJWYQPI-OAQYLSRUSA-N 2 2 385.512 2.696 20 0 GFADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N(C)C)[nH+]cn4)CC3)C2)cc1 ZINC001164939920 721920327 /nfs/dbraw/zinc/92/03/27/721920327.db2.gz WNTULVPUQFYVGG-UHFFFAOYSA-N 2 2 381.524 2.722 20 0 GFADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N(C)C)[nH+]cn4)CC3)C2)cc1 ZINC001164939920 721920329 /nfs/dbraw/zinc/92/03/29/721920329.db2.gz WNTULVPUQFYVGG-UHFFFAOYSA-N 2 2 381.524 2.722 20 0 GFADLP Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]c2ccccc12 ZINC001164996282 722232577 /nfs/dbraw/zinc/23/25/77/722232577.db2.gz AULKSWZKRRTKRC-UHFFFAOYSA-N 2 2 388.519 2.690 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Br)CC2)CC1 ZINC000050802332 551161776 /nfs/dbraw/zinc/16/17/76/551161776.db2.gz VMPOVQFWSXVIBG-UHFFFAOYSA-N 2 2 380.330 2.738 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000050802489 551161789 /nfs/dbraw/zinc/16/17/89/551161789.db2.gz VSDULUSHVBKTOS-UHFFFAOYSA-N 2 2 380.330 2.738 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123369301 551305952 /nfs/dbraw/zinc/30/59/52/551305952.db2.gz FXLIVXJXGYXPJA-JSGCOSHPSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123369301 551305956 /nfs/dbraw/zinc/30/59/56/551305956.db2.gz FXLIVXJXGYXPJA-JSGCOSHPSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123369301 551305958 /nfs/dbraw/zinc/30/59/58/551305958.db2.gz FXLIVXJXGYXPJA-JSGCOSHPSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123369301 551305960 /nfs/dbraw/zinc/30/59/60/551305960.db2.gz FXLIVXJXGYXPJA-JSGCOSHPSA-N 2 2 388.375 2.884 20 0 GFADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)cc1 ZINC000150942429 551404422 /nfs/dbraw/zinc/40/44/22/551404422.db2.gz YOKPJVWOKSMYSG-LJQANCHMSA-N 2 2 398.389 2.880 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856312 551462045 /nfs/dbraw/zinc/46/20/45/551462045.db2.gz NPYSEBQYHXMSAM-GOSISDBHSA-N 2 2 394.357 2.596 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000153856312 551462048 /nfs/dbraw/zinc/46/20/48/551462048.db2.gz NPYSEBQYHXMSAM-GOSISDBHSA-N 2 2 394.357 2.596 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000177157956 552150640 /nfs/dbraw/zinc/15/06/40/552150640.db2.gz TWURGPIJAUIOGQ-ZWKOTPCHSA-N 2 2 394.357 2.695 20 0 GFADLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ncc(Br)s2)CC1 ZINC000179203930 552186626 /nfs/dbraw/zinc/18/66/26/552186626.db2.gz VRBZFMMNFZCGPY-CYBMUJFWSA-N 2 2 375.380 2.974 20 0 GFADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000182457487 552284948 /nfs/dbraw/zinc/28/49/48/552284948.db2.gz RXEYAGVNCQTNRD-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000182457487 552284951 /nfs/dbraw/zinc/28/49/51/552284951.db2.gz RXEYAGVNCQTNRD-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nccs1 ZINC000184412355 552335028 /nfs/dbraw/zinc/33/50/28/552335028.db2.gz ARJOXSUJDUCDEY-AWEZNQCLSA-N 2 2 376.551 2.981 20 0 GFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688751 552452085 /nfs/dbraw/zinc/45/20/85/552452085.db2.gz VBJBMAXUVJRTPD-KRWDZBQOSA-N 2 2 382.346 2.860 20 0 GFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688751 552452087 /nfs/dbraw/zinc/45/20/87/552452087.db2.gz VBJBMAXUVJRTPD-KRWDZBQOSA-N 2 2 382.346 2.860 20 0 GFADLP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000189037258 552461356 /nfs/dbraw/zinc/46/13/56/552461356.db2.gz DXAKFCBFHKMDBO-CQSZACIVSA-N 2 2 387.293 2.621 20 0 GFADLP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000189037258 552461358 /nfs/dbraw/zinc/46/13/58/552461358.db2.gz DXAKFCBFHKMDBO-CQSZACIVSA-N 2 2 387.293 2.621 20 0 GFADLP C[C@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000237680304 553080333 /nfs/dbraw/zinc/08/03/33/553080333.db2.gz ROVIBSYZJHHDQJ-CHWSQXEVSA-N 2 2 379.302 2.739 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000238152680 553086351 /nfs/dbraw/zinc/08/63/51/553086351.db2.gz LHPUDRGTOFSMCM-UHFFFAOYSA-N 2 2 393.329 2.776 20 0 GFADLP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000246602438 553110886 /nfs/dbraw/zinc/11/08/86/553110886.db2.gz HIUOUZRKKOKTJH-YJBOKZPZSA-N 2 2 383.330 2.527 20 0 GFADLP Cc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c(Br)c1 ZINC000261709295 553156787 /nfs/dbraw/zinc/15/67/87/553156787.db2.gz JVPNRKWSPPZAEI-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP [NH3+]C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCCCC1 ZINC000420381700 563262850 /nfs/dbraw/zinc/26/28/50/563262850.db2.gz ZEOBWUUFKGKBNT-MRXNPFEDSA-N 2 2 389.359 2.720 20 0 GFADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000372047470 563294485 /nfs/dbraw/zinc/29/44/85/563294485.db2.gz ROKCZGKHEOIDSM-RBUKOAKNSA-N 2 2 396.373 2.896 20 0 GFADLP CC(=O)N1CCC[C@@H](C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)C1 ZINC000279826544 563311711 /nfs/dbraw/zinc/31/17/11/563311711.db2.gz PWLULOASIDNEKM-AWEZNQCLSA-N 2 2 379.302 2.753 20 0 GFADLP C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422759584 563349121 /nfs/dbraw/zinc/34/91/21/563349121.db2.gz LBSDRWGICUCENT-SWLSCSKDSA-N 2 2 389.359 2.732 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933089 563350901 /nfs/dbraw/zinc/35/09/01/563350901.db2.gz BGBZVGWYDLWTGY-VYDXJSESSA-N 2 2 382.346 2.632 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422944296 563351394 /nfs/dbraw/zinc/35/13/94/563351394.db2.gz LIIZCOFCJISMTM-GJZGRUSLSA-N 2 2 391.256 2.907 20 0 GFADLP CCn1cc[nH+]c1[C@@H](NCC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423286341 563359760 /nfs/dbraw/zinc/35/97/60/563359760.db2.gz GQGLDFHFERFOAV-AWEZNQCLSA-N 2 2 398.292 2.924 20 0 GFADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000302154669 563421959 /nfs/dbraw/zinc/42/19/59/563421959.db2.gz MZSDKSUHOTYACJ-UHFFFAOYSA-N 2 2 379.291 2.852 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230962 563452018 /nfs/dbraw/zinc/45/20/18/563452018.db2.gz VBUMYXQRRCFRKJ-SJLPKXTDSA-N 2 2 394.357 2.872 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230962 563452024 /nfs/dbraw/zinc/45/20/24/563452024.db2.gz VBUMYXQRRCFRKJ-SJLPKXTDSA-N 2 2 394.357 2.872 20 0 GFADLP CN(C(=O)c1cc(Br)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638464 563481267 /nfs/dbraw/zinc/48/12/67/563481267.db2.gz BXNWXHLHJDQXOD-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(Br)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638464 563481270 /nfs/dbraw/zinc/48/12/70/563481270.db2.gz BXNWXHLHJDQXOD-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330589 563502863 /nfs/dbraw/zinc/50/28/63/563502863.db2.gz BLXIROYLWXMQDK-JKSUJKDBSA-N 2 2 393.329 2.518 20 0 GFADLP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000378330589 563502868 /nfs/dbraw/zinc/50/28/68/563502868.db2.gz BLXIROYLWXMQDK-JKSUJKDBSA-N 2 2 393.329 2.518 20 0 GFADLP CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]cc1Br ZINC000332152804 563579911 /nfs/dbraw/zinc/57/99/11/563579911.db2.gz IZXUJCZBUGELTI-GMXVVIOVSA-N 2 2 382.306 2.501 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000289115902 563668271 /nfs/dbraw/zinc/66/82/71/563668271.db2.gz NIFPTCFZXDUMAW-UHFFFAOYSA-N 2 2 379.551 2.827 20 0 GFADLP Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289673681 563682991 /nfs/dbraw/zinc/68/29/91/563682991.db2.gz DPFWCFBJCOCWTC-UHFFFAOYSA-N 2 2 394.357 2.744 20 0 GFADLP C[N@H+]1CC=C(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000290794911 563722300 /nfs/dbraw/zinc/72/23/00/563722300.db2.gz DMDJKZQGFHXLKF-UHFFFAOYSA-N 2 2 375.108 2.958 20 0 GFADLP C[N@@H+]1CC=C(C[NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000290794911 563722301 /nfs/dbraw/zinc/72/23/01/563722301.db2.gz DMDJKZQGFHXLKF-UHFFFAOYSA-N 2 2 375.108 2.958 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000291025064 563729761 /nfs/dbraw/zinc/72/97/61/563729761.db2.gz HSJGZPVQNJXOSR-CYBMUJFWSA-N 2 2 384.318 2.912 20 0 GFADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693811 563750435 /nfs/dbraw/zinc/75/04/35/563750435.db2.gz NCBYLDGHCRYWLL-GUYCJALGSA-N 2 2 386.323 2.564 20 0 GFADLP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(I)c1OC ZINC000415057393 563757656 /nfs/dbraw/zinc/75/76/56/563757656.db2.gz SLBRYICWTMTGMZ-CYBMUJFWSA-N 2 2 392.281 2.771 20 0 GFADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060710 563772023 /nfs/dbraw/zinc/77/20/23/563772023.db2.gz COAHSDQCGUUISB-SJLPKXTDSA-N 2 2 378.314 2.582 20 0 GFADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060710 563772025 /nfs/dbraw/zinc/77/20/25/563772025.db2.gz COAHSDQCGUUISB-SJLPKXTDSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060710 563772028 /nfs/dbraw/zinc/77/20/28/563772028.db2.gz COAHSDQCGUUISB-SJLPKXTDSA-N 2 2 378.314 2.582 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000292060710 563772031 /nfs/dbraw/zinc/77/20/31/563772031.db2.gz COAHSDQCGUUISB-SJLPKXTDSA-N 2 2 378.314 2.582 20 0 GFADLP CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443067492 563790414 /nfs/dbraw/zinc/79/04/14/563790414.db2.gz GULMIOJZALZYGN-AWEZNQCLSA-N 2 2 379.551 2.774 20 0 GFADLP CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443067492 563790416 /nfs/dbraw/zinc/79/04/16/563790416.db2.gz GULMIOJZALZYGN-AWEZNQCLSA-N 2 2 379.551 2.774 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1Br ZINC000294590841 563848006 /nfs/dbraw/zinc/84/80/06/563848006.db2.gz CUWCYQZKFDJRIC-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1Br ZINC000294590841 563848009 /nfs/dbraw/zinc/84/80/09/563848009.db2.gz CUWCYQZKFDJRIC-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367623995 563850668 /nfs/dbraw/zinc/85/06/68/563850668.db2.gz SOLADSYASWANIB-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000445891299 563855705 /nfs/dbraw/zinc/85/57/05/563855705.db2.gz UBICCLWEQHYYRZ-HNNXBMFYSA-N 2 2 377.476 2.959 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417218141 563873766 /nfs/dbraw/zinc/87/37/66/563873766.db2.gz KWBNJLFHPZWLLN-FZMZJTMJSA-N 2 2 380.290 2.508 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987250 563893647 /nfs/dbraw/zinc/89/36/47/563893647.db2.gz OQLGLAJANPCZDQ-KGLIPLIRSA-N 2 2 378.826 2.508 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987250 563893650 /nfs/dbraw/zinc/89/36/50/563893650.db2.gz OQLGLAJANPCZDQ-KGLIPLIRSA-N 2 2 378.826 2.508 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCCC[C@H]3C[NH3+])[nH+]c12 ZINC000418021989 563895492 /nfs/dbraw/zinc/89/54/92/563895492.db2.gz QKHPPLPNMPFHFS-WFASDCNBSA-N 2 2 394.317 2.722 20 0 GFADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936909 564180732 /nfs/dbraw/zinc/18/07/32/564180732.db2.gz HPQFYYATZZSGTM-UKRRQHHQSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936909 564180733 /nfs/dbraw/zinc/18/07/33/564180733.db2.gz HPQFYYATZZSGTM-UKRRQHHQSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389521 564184017 /nfs/dbraw/zinc/18/40/17/564184017.db2.gz SNKGMORRAHLWLD-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389521 564184019 /nfs/dbraw/zinc/18/40/19/564184019.db2.gz SNKGMORRAHLWLD-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449598983 564190687 /nfs/dbraw/zinc/19/06/87/564190687.db2.gz JSXGNGAAAXBMMQ-XUWXXGDYSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449598983 564190689 /nfs/dbraw/zinc/19/06/89/564190689.db2.gz JSXGNGAAAXBMMQ-XUWXXGDYSA-N 2 2 397.357 2.681 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449681208 564195567 /nfs/dbraw/zinc/19/55/67/564195567.db2.gz IMNHLRIRKFBWOL-FRIZHTMISA-N 2 2 381.358 2.981 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449681208 564195569 /nfs/dbraw/zinc/19/55/69/564195569.db2.gz IMNHLRIRKFBWOL-FRIZHTMISA-N 2 2 381.358 2.981 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449685878 564197050 /nfs/dbraw/zinc/19/70/50/564197050.db2.gz WJVGRFCSDGSSLH-GRDNDAEWSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449685878 564197052 /nfs/dbraw/zinc/19/70/52/564197052.db2.gz WJVGRFCSDGSSLH-GRDNDAEWSA-N 2 2 397.357 2.824 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]CCCCn2cc[nH+]c2)nn1 ZINC000563755840 564206018 /nfs/dbraw/zinc/20/60/18/564206018.db2.gz NRHNNKUVKXALKE-UHFFFAOYSA-N 2 2 375.274 2.796 20 0 GFADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450256066 564224156 /nfs/dbraw/zinc/22/41/56/564224156.db2.gz FETFQINCWGYHTG-UHFFFAOYSA-N 2 2 395.276 2.712 20 0 GFADLP C[NH+](C)[C@@]1(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)CCSC1 ZINC000539977575 564234262 /nfs/dbraw/zinc/23/42/62/564234262.db2.gz LIBKQYWHPARXDC-LJQANCHMSA-N 2 2 383.005 2.619 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000564922273 564257041 /nfs/dbraw/zinc/25/70/41/564257041.db2.gz PMGHVTJKOYAICB-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222906 564269877 /nfs/dbraw/zinc/26/98/77/564269877.db2.gz MPBOYGHLKUQVOZ-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222906 564269881 /nfs/dbraw/zinc/26/98/81/564269881.db2.gz MPBOYGHLKUQVOZ-SJORKVTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222902 564270038 /nfs/dbraw/zinc/27/00/38/564270038.db2.gz MPBOYGHLKUQVOZ-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222902 564270042 /nfs/dbraw/zinc/27/00/42/564270042.db2.gz MPBOYGHLKUQVOZ-DLBZAZTESA-N 2 2 380.330 2.756 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000511996075 564388867 /nfs/dbraw/zinc/38/88/67/564388867.db2.gz FPLHHHBULCHKEQ-MSOLQXFVSA-N 2 2 383.330 2.925 20 0 GFADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000512426807 564401544 /nfs/dbraw/zinc/40/15/44/564401544.db2.gz NSESPDMEEXQVHF-AWEZNQCLSA-N 2 2 387.355 2.813 20 0 GFADLP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000568046793 564402043 /nfs/dbraw/zinc/40/20/43/564402043.db2.gz INUKKWRDSKBBRL-SFHVURJKSA-N 2 2 379.595 2.610 20 0 GFADLP COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000568175272 564407303 /nfs/dbraw/zinc/40/73/03/564407303.db2.gz XUNCUMNHGMSQTP-QGZVFWFLSA-N 2 2 382.302 2.789 20 0 GFADLP COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000568175272 564407306 /nfs/dbraw/zinc/40/73/06/564407306.db2.gz XUNCUMNHGMSQTP-QGZVFWFLSA-N 2 2 382.302 2.789 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000514870392 564460802 /nfs/dbraw/zinc/46/08/02/564460802.db2.gz JBAZCYYOUKDGQY-CQSZACIVSA-N 2 2 391.339 2.558 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000569636948 564472507 /nfs/dbraw/zinc/47/25/07/564472507.db2.gz BDTCROJTQQKZGP-UHFFFAOYSA-N 2 2 399.329 2.835 20 0 GFADLP COc1c(Br)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000571890640 564571771 /nfs/dbraw/zinc/57/17/71/564571771.db2.gz WJMUZKLLEJNBPE-GDGBQDQQSA-N 2 2 376.092 2.528 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cc1Br ZINC000455868235 564577599 /nfs/dbraw/zinc/57/75/99/564577599.db2.gz QDEWVOMOELIMRY-VXGBXAGGSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]cc1Br ZINC000455868235 564577600 /nfs/dbraw/zinc/57/76/00/564577600.db2.gz QDEWVOMOELIMRY-VXGBXAGGSA-N 2 2 382.306 2.658 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000519528389 564579935 /nfs/dbraw/zinc/57/99/35/564579935.db2.gz JZALARLYBYHUHM-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000519528389 564579937 /nfs/dbraw/zinc/57/99/37/564579937.db2.gz JZALARLYBYHUHM-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000521622825 564632570 /nfs/dbraw/zinc/63/25/70/564632570.db2.gz FGLYPDPNIKNDOV-SJLPKXTDSA-N 2 2 398.320 2.746 20 0 GFADLP CCC[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954732 564661673 /nfs/dbraw/zinc/66/16/73/564661673.db2.gz SUMDCVSPWDOWDE-CQSZACIVSA-N 2 2 389.359 2.544 20 0 GFADLP CCC[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000573954732 564661675 /nfs/dbraw/zinc/66/16/75/564661675.db2.gz SUMDCVSPWDOWDE-CQSZACIVSA-N 2 2 389.359 2.544 20 0 GFADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000576941689 564721225 /nfs/dbraw/zinc/72/12/25/564721225.db2.gz OFELFFOEYATYPA-YOEHRIQHSA-N 2 2 380.330 2.702 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](CCO)C3CCOCC3)c[nH+]c12 ZINC000461399556 564796060 /nfs/dbraw/zinc/79/60/60/564796060.db2.gz KPZLKMNMASUSKH-INIZCTEOSA-N 2 2 382.302 2.672 20 0 GFADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@@H](C)O1 ZINC000494999685 564845738 /nfs/dbraw/zinc/84/57/38/564845738.db2.gz VGARWHCHBHQHAE-ZIAGYGMSSA-N 2 2 385.350 2.504 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465510 564882960 /nfs/dbraw/zinc/88/29/60/564882960.db2.gz UTWXWAXGRGDLCP-ZJUUUORDSA-N 2 2 389.308 2.503 20 0 GFADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000558490850 564904328 /nfs/dbraw/zinc/90/43/28/564904328.db2.gz JNCYABJKZHKWRP-CYBMUJFWSA-N 2 2 387.355 2.736 20 0 GFADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000558490850 564904332 /nfs/dbraw/zinc/90/43/32/564904332.db2.gz JNCYABJKZHKWRP-CYBMUJFWSA-N 2 2 387.355 2.736 20 0 GFADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291653 564960434 /nfs/dbraw/zinc/96/04/34/564960434.db2.gz TYHSCFLUEXXKNR-CQSZACIVSA-N 2 2 386.323 2.976 20 0 GFADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291653 564960438 /nfs/dbraw/zinc/96/04/38/564960438.db2.gz TYHSCFLUEXXKNR-CQSZACIVSA-N 2 2 386.323 2.976 20 0 GFADLP Cc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Br)s1 ZINC000560637450 564970614 /nfs/dbraw/zinc/97/06/14/564970614.db2.gz WBCNHUSZGDREAZ-UHFFFAOYSA-N 2 2 396.314 2.613 20 0 GFADLP CC(C)[NH+]1CCC(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000467984712 564976724 /nfs/dbraw/zinc/97/67/24/564976724.db2.gz QBURTAOCYLMCSK-UHFFFAOYSA-N 2 2 379.302 2.833 20 0 GFADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638611531 565205704 /nfs/dbraw/zinc/20/57/04/565205704.db2.gz HJUGBYHDNPFLRO-AWEZNQCLSA-N 2 2 379.551 2.711 20 0 GFADLP Cc1c(Br)csc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984466 565219976 /nfs/dbraw/zinc/21/99/76/565219976.db2.gz XJNKVCBEBVAWCA-UHFFFAOYSA-N 2 2 381.299 2.876 20 0 GFADLP CCn1cc[nH+]c1[C@@H](NC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000591581395 565234340 /nfs/dbraw/zinc/23/43/40/565234340.db2.gz UMXKAXSAJHDWAN-FZMZJTMJSA-N 2 2 384.265 2.534 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652749 565288439 /nfs/dbraw/zinc/28/84/39/565288439.db2.gz KVCCPINXTHYDRY-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652749 565288441 /nfs/dbraw/zinc/28/84/41/565288441.db2.gz KVCCPINXTHYDRY-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652749 565288445 /nfs/dbraw/zinc/28/84/45/565288445.db2.gz KVCCPINXTHYDRY-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652749 565288448 /nfs/dbraw/zinc/28/84/48/565288448.db2.gz KVCCPINXTHYDRY-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP [NH3+][C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1Br ZINC000662377397 565365093 /nfs/dbraw/zinc/36/50/93/565365093.db2.gz ZZNGFJDODILXEK-KRWDZBQOSA-N 2 2 389.297 2.761 20 0 GFADLP CCc1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000662468982 565370354 /nfs/dbraw/zinc/37/03/54/565370354.db2.gz WMGVZZDQNXIAKT-UHFFFAOYSA-N 2 2 375.563 2.976 20 0 GFADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000641774920 565398721 /nfs/dbraw/zinc/39/87/21/565398721.db2.gz VKFOKEISZDJRAL-AEFFLSMTSA-N 2 2 396.373 2.815 20 0 GFADLP [NH3+]C1(CC(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)CCC1 ZINC000646557593 565608482 /nfs/dbraw/zinc/60/84/82/565608482.db2.gz MQMUVXJWKBCDBL-UHFFFAOYSA-N 2 2 391.313 2.946 20 0 GFADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646652606 565612584 /nfs/dbraw/zinc/61/25/84/565612584.db2.gz UBTPKNHNWZUSSB-DLBZAZTESA-N 2 2 380.330 2.844 20 0 GFADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ncc1Br ZINC000600120304 565715626 /nfs/dbraw/zinc/71/56/26/565715626.db2.gz JLCPEBKIJZQWDU-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604190 565863818 /nfs/dbraw/zinc/86/38/18/565863818.db2.gz STKRNJOBMQPIJB-DLBZAZTESA-N 2 2 383.330 2.795 20 0 GFADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604190 565863823 /nfs/dbraw/zinc/86/38/23/565863823.db2.gz STKRNJOBMQPIJB-DLBZAZTESA-N 2 2 383.330 2.795 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@@H+](C)C3CCC3)[nH+]c12 ZINC000629981132 565877610 /nfs/dbraw/zinc/87/76/10/565877610.db2.gz VYNNJNJKHYVFHV-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C[N@H+](C)C3CCC3)[nH+]c12 ZINC000629981132 565877617 /nfs/dbraw/zinc/87/76/17/565877617.db2.gz VYNNJNJKHYVFHV-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP Brc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000631035658 565935529 /nfs/dbraw/zinc/93/55/29/565935529.db2.gz SUHNBJLFSBEFJC-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000678924620 566024144 /nfs/dbraw/zinc/02/41/44/566024144.db2.gz NUXCFFPXNMUMCE-GFCCVEGCSA-N 2 2 380.286 2.620 20 0 GFADLP c1ccc(CC[NH+]2CCC(Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cc1 ZINC000738425791 599274194 /nfs/dbraw/zinc/27/41/94/599274194.db2.gz AZMMCHAJILEHCS-UHFFFAOYSA-N 2 2 399.502 2.956 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792012 607470842 /nfs/dbraw/zinc/47/08/42/607470842.db2.gz MMIRHEYNYMQDLQ-LIRRHRJNSA-N 2 2 375.480 2.868 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792012 607470844 /nfs/dbraw/zinc/47/08/44/607470844.db2.gz MMIRHEYNYMQDLQ-LIRRHRJNSA-N 2 2 375.480 2.868 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451839 608316972 /nfs/dbraw/zinc/31/69/72/608316972.db2.gz LFEFOSQCKIMOLP-CRAIPNDOSA-N 2 2 394.527 2.523 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451839 608316974 /nfs/dbraw/zinc/31/69/74/608316974.db2.gz LFEFOSQCKIMOLP-CRAIPNDOSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451839 608316975 /nfs/dbraw/zinc/31/69/75/608316975.db2.gz LFEFOSQCKIMOLP-CRAIPNDOSA-N 2 2 394.527 2.523 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(-c3nn[nH]n3)c(C)nn2-c2ccccc2)[C@H](C)C1 ZINC000825451839 608316977 /nfs/dbraw/zinc/31/69/77/608316977.db2.gz LFEFOSQCKIMOLP-CRAIPNDOSA-N 2 2 394.527 2.523 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655885 609251503 /nfs/dbraw/zinc/25/15/03/609251503.db2.gz GRDRTCIGWJWUPJ-KBXCAEBGSA-N 2 2 378.484 2.575 20 0 GFADLP C[C@@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824598979 609441199 /nfs/dbraw/zinc/44/11/99/609441199.db2.gz KRZVQNQJNGZQSV-OAHLLOKOSA-N 2 2 375.436 2.782 20 0 GFADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Br)ncc1F ZINC000817951073 660212487 /nfs/dbraw/zinc/21/24/87/660212487.db2.gz AWVSWVDOXBAVAB-NSHDSACASA-N 2 2 380.265 2.961 20 0 GFADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)s1 ZINC000268525176 654976468 /nfs/dbraw/zinc/97/64/68/654976468.db2.gz VSOIRTBWOOYSGR-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)s1 ZINC000268525176 654976470 /nfs/dbraw/zinc/97/64/70/654976470.db2.gz VSOIRTBWOOYSGR-UHFFFAOYSA-N 2 2 388.375 2.917 20 0 GFADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000135562791 655020398 /nfs/dbraw/zinc/02/03/98/655020398.db2.gz KAGBDZAPCHNWOY-QAPCUYQASA-N 2 2 394.357 2.996 20 0 GFADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000135562774 655020512 /nfs/dbraw/zinc/02/05/12/655020512.db2.gz KAGBDZAPCHNWOY-YJBOKZPZSA-N 2 2 394.357 2.996 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973719 655256983 /nfs/dbraw/zinc/25/69/83/655256983.db2.gz XHYDXHNNEWWELL-SWLSCSKDSA-N 2 2 386.359 2.891 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000275973719 655256984 /nfs/dbraw/zinc/25/69/84/655256984.db2.gz XHYDXHNNEWWELL-SWLSCSKDSA-N 2 2 386.359 2.891 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411564 655348469 /nfs/dbraw/zinc/34/84/69/655348469.db2.gz BMTLEBTUZCBWIA-CQSZACIVSA-N 2 2 381.318 2.687 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)CCCO1 ZINC000289411564 655348471 /nfs/dbraw/zinc/34/84/71/655348471.db2.gz BMTLEBTUZCBWIA-CQSZACIVSA-N 2 2 381.318 2.687 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134143 655444073 /nfs/dbraw/zinc/44/40/73/655444073.db2.gz ONIUKFSQLCILFR-AWEZNQCLSA-N 2 2 390.272 2.530 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262134143 655444075 /nfs/dbraw/zinc/44/40/75/655444075.db2.gz ONIUKFSQLCILFR-AWEZNQCLSA-N 2 2 390.272 2.530 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)s1 ZINC000808421877 659893862 /nfs/dbraw/zinc/89/38/62/659893862.db2.gz BRDLIDPRPSXRGW-GFCCVEGCSA-N 2 2 378.464 2.628 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Br)c2)CCO1 ZINC000858107391 662099167 /nfs/dbraw/zinc/09/91/67/662099167.db2.gz AUTGABQLMVKSDN-CQSZACIVSA-N 2 2 393.329 2.693 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Br)c2)CCO1 ZINC000858107391 662099170 /nfs/dbraw/zinc/09/91/70/662099170.db2.gz AUTGABQLMVKSDN-CQSZACIVSA-N 2 2 393.329 2.693 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000858127372 662099980 /nfs/dbraw/zinc/09/99/80/662099980.db2.gz ZBAGJPVQDMYHGU-OLZOCXBDSA-N 2 2 397.342 2.854 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000858127372 662099982 /nfs/dbraw/zinc/09/99/82/662099982.db2.gz ZBAGJPVQDMYHGU-OLZOCXBDSA-N 2 2 397.342 2.854 20 0 GFADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccns1 ZINC000860057461 662185361 /nfs/dbraw/zinc/18/53/61/662185361.db2.gz SUGRZFKJURHFCS-CQSZACIVSA-N 2 2 376.551 2.981 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865799286 662444126 /nfs/dbraw/zinc/44/41/26/662444126.db2.gz NHVYIWBUQGLOKH-YPKPFQOOSA-N 2 2 398.345 2.930 20 0 GFADLP C/C(=C/c1ccc(Br)o1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865799286 662444129 /nfs/dbraw/zinc/44/41/29/662444129.db2.gz NHVYIWBUQGLOKH-YPKPFQOOSA-N 2 2 398.345 2.930 20 0 GFADLP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000866594736 662482960 /nfs/dbraw/zinc/48/29/60/662482960.db2.gz MGZDSVRRALAYLO-CABCVRRESA-N 2 2 381.314 2.596 20 0 GFADLP FC(F)(F)c1nnc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000873210658 662803899 /nfs/dbraw/zinc/80/38/99/662803899.db2.gz NPNXDOIZRKWKEU-UHFFFAOYSA-N 2 2 389.472 2.586 20 0 GFADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000877636314 662880483 /nfs/dbraw/zinc/88/04/83/662880483.db2.gz SXNOATGXKOHNAP-HNNXBMFYSA-N 2 2 397.313 2.579 20 0 GFADLP C[NH+]1CCN(C2CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)CC1 ZINC000879596716 662930206 /nfs/dbraw/zinc/93/02/06/662930206.db2.gz RBCDOVSGAJLFTL-UHFFFAOYSA-N 2 2 393.329 2.802 20 0 GFADLP Brc1cccc2c1C[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768663 663806327 /nfs/dbraw/zinc/80/63/27/663806327.db2.gz ORMYWJUMZYPHLV-AWEZNQCLSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1cccc2c1C[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903768663 663806328 /nfs/dbraw/zinc/80/63/28/663806328.db2.gz ORMYWJUMZYPHLV-AWEZNQCLSA-N 2 2 381.314 2.802 20 0 GFADLP C[N@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000908126430 664085783 /nfs/dbraw/zinc/08/57/83/664085783.db2.gz XJVZWQJIYAQZOH-UHFFFAOYSA-N 2 2 395.301 2.752 20 0 GFADLP C[N@@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)C1CCC1 ZINC000908126430 664085789 /nfs/dbraw/zinc/08/57/89/664085789.db2.gz XJVZWQJIYAQZOH-UHFFFAOYSA-N 2 2 395.301 2.752 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426225 664630200 /nfs/dbraw/zinc/63/02/00/664630200.db2.gz OFAYXVQYQXEBAJ-GMTAPVOTSA-N 2 2 387.229 2.802 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426225 664630201 /nfs/dbraw/zinc/63/02/01/664630201.db2.gz OFAYXVQYQXEBAJ-GMTAPVOTSA-N 2 2 387.229 2.802 20 0 GFADLP OCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925829736 664675441 /nfs/dbraw/zinc/67/54/41/664675441.db2.gz GKRFKKWNPRKSSK-LJQANCHMSA-N 2 2 390.325 2.980 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000926102344 664681704 /nfs/dbraw/zinc/68/17/04/664681704.db2.gz HRQUDRFERAHZBH-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000926180860 664684163 /nfs/dbraw/zinc/68/41/63/664684163.db2.gz RNZQQVCDFUGRMI-UHFFFAOYSA-N 2 2 393.688 2.786 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3COC[C@H]3O2)o1 ZINC000930447460 664770691 /nfs/dbraw/zinc/77/06/91/664770691.db2.gz YOJGITSLTHOPEU-VNQPRFMTSA-N 2 2 396.285 2.545 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3COC[C@H]3O2)o1 ZINC000930447460 664770693 /nfs/dbraw/zinc/77/06/93/664770693.db2.gz YOJGITSLTHOPEU-VNQPRFMTSA-N 2 2 396.285 2.545 20 0 GFADLP CCCc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C)[nH+]1 ZINC001164814508 720228242 /nfs/dbraw/zinc/22/82/42/720228242.db2.gz WEQOHBDBHMYDRC-UHFFFAOYSA-N 2 2 384.528 2.545 20 0 GFADLP CCCc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C)[nH+]1 ZINC001164814508 720228247 /nfs/dbraw/zinc/22/82/47/720228247.db2.gz WEQOHBDBHMYDRC-UHFFFAOYSA-N 2 2 384.528 2.545 20 0 GFADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164870414 721272749 /nfs/dbraw/zinc/27/27/49/721272749.db2.gz YAOCWRKPFGXFAD-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164870414 721272751 /nfs/dbraw/zinc/27/27/51/721272751.db2.gz YAOCWRKPFGXFAD-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c([nH+]4)CCCC5)C3)O2)CC1 ZINC001164889478 721403882 /nfs/dbraw/zinc/40/38/82/721403882.db2.gz QXMYSWQOGZGXQD-OFNKIYASSA-N 2 2 384.568 2.726 20 0 GFADLP C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353454 563537039 /nfs/dbraw/zinc/53/70/39/563537039.db2.gz KJADVHVGWLAKPC-XJKSGUPXSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000404353454 563537042 /nfs/dbraw/zinc/53/70/42/563537042.db2.gz KJADVHVGWLAKPC-XJKSGUPXSA-N 2 2 389.359 2.672 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133811007 551384199 /nfs/dbraw/zinc/38/41/99/551384199.db2.gz FYCFRXJVGNRSBM-JKSUJKDBSA-N 2 2 385.936 2.655 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133811007 551384202 /nfs/dbraw/zinc/38/42/02/551384202.db2.gz FYCFRXJVGNRSBM-JKSUJKDBSA-N 2 2 385.936 2.655 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000152687416 551438115 /nfs/dbraw/zinc/43/81/15/551438115.db2.gz RLDKLVJORZZCKV-CZUORRHYSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000152687416 551438118 /nfs/dbraw/zinc/43/81/18/551438118.db2.gz RLDKLVJORZZCKV-CZUORRHYSA-N 2 2 380.330 2.784 20 0 GFADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000164781689 551627210 /nfs/dbraw/zinc/62/72/10/551627210.db2.gz CVFLCFCLKNARNQ-QGZVFWFLSA-N 2 2 380.330 2.937 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000175552853 552124607 /nfs/dbraw/zinc/12/46/07/552124607.db2.gz VTVVFAPEGIUPJD-UHFFFAOYSA-N 2 2 384.977 2.757 20 0 GFADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ncc(Br)s1 ZINC000179205837 552186693 /nfs/dbraw/zinc/18/66/93/552186693.db2.gz CIELWIDOIQDZAR-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000181039141 552243654 /nfs/dbraw/zinc/24/36/54/552243654.db2.gz DFRVPAJUYCIHQL-KBPBESRZSA-N 2 2 386.323 2.577 20 0 GFADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000186981509 552403100 /nfs/dbraw/zinc/40/31/00/552403100.db2.gz ZHKWVVIRMPAVNM-BBRMVZONSA-N 2 2 387.341 2.906 20 0 GFADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000190002522 552485075 /nfs/dbraw/zinc/48/50/75/552485075.db2.gz YGJVTLJSOWRETE-CYBMUJFWSA-N 2 2 388.339 2.871 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000192074465 552549555 /nfs/dbraw/zinc/54/95/55/552549555.db2.gz AKTLOMXOKXDBOS-FHLIZLRMSA-N 2 2 392.341 2.971 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000192074465 552549559 /nfs/dbraw/zinc/54/95/59/552549559.db2.gz AKTLOMXOKXDBOS-FHLIZLRMSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000192074465 552549560 /nfs/dbraw/zinc/54/95/60/552549560.db2.gz AKTLOMXOKXDBOS-FHLIZLRMSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000192074465 552549564 /nfs/dbraw/zinc/54/95/64/552549564.db2.gz AKTLOMXOKXDBOS-FHLIZLRMSA-N 2 2 392.341 2.971 20 0 GFADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2sccc2Cl)CC1 ZINC000193110942 552983912 /nfs/dbraw/zinc/98/39/12/552983912.db2.gz IALPQDHPVRNWRI-UHFFFAOYSA-N 2 2 399.969 2.627 20 0 GFADLP [NH3+][C@H](CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418500449 563218834 /nfs/dbraw/zinc/21/88/34/563218834.db2.gz PPUHBJQFEXQSFB-QGZVFWFLSA-N 2 2 385.339 2.600 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295177838 563233476 /nfs/dbraw/zinc/23/34/76/563233476.db2.gz VFXPSAXEOLRKII-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295177838 563233479 /nfs/dbraw/zinc/23/34/79/563233479.db2.gz VFXPSAXEOLRKII-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP CN(C(=O)c1ccc(Br)c(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842902 563257260 /nfs/dbraw/zinc/25/72/60/563257260.db2.gz QIXYXHOLYMWMQO-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(Br)c(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842902 563257262 /nfs/dbraw/zinc/25/72/62/563257262.db2.gz QIXYXHOLYMWMQO-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278524217 563260288 /nfs/dbraw/zinc/26/02/88/563260288.db2.gz QQAZEERZTNENRK-CYBMUJFWSA-N 2 2 378.318 2.893 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294640 563271615 /nfs/dbraw/zinc/27/16/15/563271615.db2.gz MEKFIGUYDFSVQH-IXDOHACOSA-N 2 2 396.329 2.571 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000371294640 563271619 /nfs/dbraw/zinc/27/16/19/563271619.db2.gz MEKFIGUYDFSVQH-IXDOHACOSA-N 2 2 396.329 2.571 20 0 GFADLP CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372331429 563302663 /nfs/dbraw/zinc/30/26/63/563302663.db2.gz ITQGBOSTXGHYCJ-CQSZACIVSA-N 2 2 385.339 2.816 20 0 GFADLP CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372331429 563302665 /nfs/dbraw/zinc/30/26/65/563302665.db2.gz ITQGBOSTXGHYCJ-CQSZACIVSA-N 2 2 385.339 2.816 20 0 GFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772520 563349206 /nfs/dbraw/zinc/34/92/06/563349206.db2.gz ZFMCHGFTZNCCGS-WFASDCNBSA-N 2 2 389.359 2.589 20 0 GFADLP CCC([NH3+])(CC)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423289520 563359402 /nfs/dbraw/zinc/35/94/02/563359402.db2.gz XHQPESQEIUYLNC-CYBMUJFWSA-N 2 2 375.332 2.775 20 0 GFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423508411 563360992 /nfs/dbraw/zinc/36/09/92/563360992.db2.gz QRKKCESQMXLJPE-SUMWQHHRSA-N 2 2 378.314 2.851 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374799189 563382253 /nfs/dbraw/zinc/38/22/53/563382253.db2.gz IWGDHERPRYHDOD-HNNXBMFYSA-N 2 2 383.330 2.669 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000378266773 563500670 /nfs/dbraw/zinc/50/06/70/563500670.db2.gz BQUDGYBDCRWLCS-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000378266773 563500672 /nfs/dbraw/zinc/50/06/72/563500672.db2.gz BQUDGYBDCRWLCS-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429843103 563525137 /nfs/dbraw/zinc/52/51/37/563525137.db2.gz FBIYHQHVIZLARR-UHFFFAOYSA-N 2 2 394.368 2.640 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429843103 563525139 /nfs/dbraw/zinc/52/51/39/563525139.db2.gz FBIYHQHVIZLARR-UHFFFAOYSA-N 2 2 394.368 2.640 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@H+](C)C1 ZINC000413490748 563694688 /nfs/dbraw/zinc/69/46/88/563694688.db2.gz AHOYEPNNEFRCRH-LLVKDONJSA-N 2 2 396.260 2.677 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@@H+](C)C1 ZINC000413490748 563694690 /nfs/dbraw/zinc/69/46/90/563694690.db2.gz AHOYEPNNEFRCRH-LLVKDONJSA-N 2 2 396.260 2.677 20 0 GFADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000362132763 563703859 /nfs/dbraw/zinc/70/38/59/563703859.db2.gz WNLIIYQDNXXBKI-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1Br ZINC000362132763 563703861 /nfs/dbraw/zinc/70/38/61/563703861.db2.gz WNLIIYQDNXXBKI-QGZVFWFLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944598 563737816 /nfs/dbraw/zinc/73/78/16/563737816.db2.gz HZCOSBCUSBHAOJ-BBRMVZONSA-N 2 2 392.345 2.886 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944598 563737821 /nfs/dbraw/zinc/73/78/21/563737821.db2.gz HZCOSBCUSBHAOJ-BBRMVZONSA-N 2 2 392.345 2.886 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958429 563770352 /nfs/dbraw/zinc/77/03/52/563770352.db2.gz ZGMTWBHOFRRPMU-RHSMWYFYSA-N 2 2 378.318 2.541 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958429 563770353 /nfs/dbraw/zinc/77/03/53/563770353.db2.gz ZGMTWBHOFRRPMU-RHSMWYFYSA-N 2 2 378.318 2.541 20 0 GFADLP O=C(NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177537 563823231 /nfs/dbraw/zinc/82/32/31/563823231.db2.gz XGJKGPWOMQYUEY-SJORKVTESA-N 2 2 375.925 2.979 20 0 GFADLP O=C(NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444177537 563823235 /nfs/dbraw/zinc/82/32/35/563823235.db2.gz XGJKGPWOMQYUEY-SJORKVTESA-N 2 2 375.925 2.979 20 0 GFADLP Nc1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000444267976 563826197 /nfs/dbraw/zinc/82/61/97/563826197.db2.gz NLFHHSPOBQTIEQ-UHFFFAOYSA-N 2 2 389.297 2.651 20 0 GFADLP O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000444706846 563835886 /nfs/dbraw/zinc/83/58/86/563835886.db2.gz OWUXNRSMWNDHNV-AWEZNQCLSA-N 2 2 375.460 2.667 20 0 GFADLP O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000444706846 563835889 /nfs/dbraw/zinc/83/58/89/563835889.db2.gz OWUXNRSMWNDHNV-AWEZNQCLSA-N 2 2 375.460 2.667 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103595 563863939 /nfs/dbraw/zinc/86/39/39/563863939.db2.gz XEQZJBOHQIDAIK-RKDXNWHRSA-N 2 2 389.308 2.572 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103595 563863943 /nfs/dbraw/zinc/86/39/43/563863943.db2.gz XEQZJBOHQIDAIK-RKDXNWHRSA-N 2 2 389.308 2.572 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277324 563890995 /nfs/dbraw/zinc/89/09/95/563890995.db2.gz LGVIWLSDWZQLIE-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277324 563890996 /nfs/dbraw/zinc/89/09/96/563890996.db2.gz LGVIWLSDWZQLIE-OAHLLOKOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369277323 563891473 /nfs/dbraw/zinc/89/14/73/563891473.db2.gz LGVIWLSDWZQLIE-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369277323 563891474 /nfs/dbraw/zinc/89/14/74/563891474.db2.gz LGVIWLSDWZQLIE-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940028 563892094 /nfs/dbraw/zinc/89/20/94/563892094.db2.gz KWIAOMSBAPBWBB-IHRRRGAJSA-N 2 2 378.826 2.506 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417940028 563892096 /nfs/dbraw/zinc/89/20/96/563892096.db2.gz KWIAOMSBAPBWBB-IHRRRGAJSA-N 2 2 378.826 2.506 20 0 GFADLP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)sc1Br ZINC000538717472 564198345 /nfs/dbraw/zinc/19/83/45/564198345.db2.gz CSYPBFCDFAPIML-UHFFFAOYSA-N 2 2 396.358 2.997 20 0 GFADLP C[C@@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000564149728 564222094 /nfs/dbraw/zinc/22/20/94/564222094.db2.gz AGVRYGVXAYRDPO-GFCCVEGCSA-N 2 2 382.295 2.716 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564951368 564259357 /nfs/dbraw/zinc/25/93/57/564259357.db2.gz HEEWSWYSVSSVFG-LXZKKBNFSA-N 2 2 380.330 2.782 20 0 GFADLP Cc1ccc(CCC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c[nH+]1 ZINC000474104867 564264878 /nfs/dbraw/zinc/26/48/78/564264878.db2.gz KJWXOICQTBSLOJ-UHFFFAOYSA-N 2 2 379.551 2.827 20 0 GFADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232856 564271953 /nfs/dbraw/zinc/27/19/53/564271953.db2.gz FMVSWRFBTUKUDL-BXUZGUMPSA-N 2 2 397.331 2.861 20 0 GFADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232856 564271955 /nfs/dbraw/zinc/27/19/55/564271955.db2.gz FMVSWRFBTUKUDL-BXUZGUMPSA-N 2 2 397.331 2.861 20 0 GFADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4c(C)cc(Br)cn34)[C@H]2C1 ZINC000566753721 564342369 /nfs/dbraw/zinc/34/23/69/564342369.db2.gz ZHKUQIYBDIOFOS-DLBZAZTESA-N 2 2 393.329 2.700 20 0 GFADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4c(C)cc(Br)cn34)[C@H]2C1 ZINC000566753721 564342372 /nfs/dbraw/zinc/34/23/72/564342372.db2.gz ZHKUQIYBDIOFOS-DLBZAZTESA-N 2 2 393.329 2.700 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)s1 ZINC000511775019 564382440 /nfs/dbraw/zinc/38/24/40/564382440.db2.gz FQNSYUFRPDKLGX-QGZVFWFLSA-N 2 2 376.595 2.912 20 0 GFADLP CN1C(=O)C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)cc1 ZINC000511943622 564386362 /nfs/dbraw/zinc/38/63/62/564386362.db2.gz UJLVFCDQDDOTAE-MAUKXSAKSA-N 2 2 378.929 2.920 20 0 GFADLP CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246133 564450350 /nfs/dbraw/zinc/45/03/50/564450350.db2.gz MIZBGQYTIPJCQY-CJNGLKHVSA-N 2 2 377.501 2.611 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(I)cc1 ZINC000453261105 564450803 /nfs/dbraw/zinc/45/08/03/564450803.db2.gz JWDOECDPYGWSFN-CJNGLKHVSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(I)cc1 ZINC000453261105 564450807 /nfs/dbraw/zinc/45/08/07/564450807.db2.gz JWDOECDPYGWSFN-CJNGLKHVSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000569218594 564453684 /nfs/dbraw/zinc/45/36/84/564453684.db2.gz ABRYDKXUKSYHQD-XYPHTWIQSA-N 2 2 380.330 2.782 20 0 GFADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696537 564454767 /nfs/dbraw/zinc/45/47/67/564454767.db2.gz MDUURSFZSMIJCH-AWEZNQCLSA-N 2 2 378.318 2.850 20 0 GFADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696537 564454770 /nfs/dbraw/zinc/45/47/70/564454770.db2.gz MDUURSFZSMIJCH-AWEZNQCLSA-N 2 2 378.318 2.850 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547654660 564505739 /nfs/dbraw/zinc/50/57/39/564505739.db2.gz WKBGGIXFKUACAB-SWLSCSKDSA-N 2 2 377.286 2.967 20 0 GFADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+]1CC(C)C1 ZINC000573134619 564624159 /nfs/dbraw/zinc/62/41/59/564624159.db2.gz OIKCCNRPKOWJCD-HNNXBMFYSA-N 2 2 394.357 2.870 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2cc(C(F)(F)F)c(Br)cn2)CC1 ZINC000573679753 564649787 /nfs/dbraw/zinc/64/97/87/564649787.db2.gz XPWWMPPVRCLIHZ-UHFFFAOYSA-N 2 2 395.267 3.301 20 0 GFADLP CC(C)[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000487074577 564674092 /nfs/dbraw/zinc/67/40/92/564674092.db2.gz RFGHFZJHDHLWDS-OAHLLOKOSA-N 2 2 394.317 2.578 20 0 GFADLP CC(C)[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000487074577 564674095 /nfs/dbraw/zinc/67/40/95/564674095.db2.gz RFGHFZJHDHLWDS-OAHLLOKOSA-N 2 2 394.317 2.578 20 0 GFADLP CC[NH+](CC)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553151455 564711283 /nfs/dbraw/zinc/71/12/83/564711283.db2.gz HSAZNUIYEPCNMV-UHFFFAOYSA-N 2 2 383.290 2.609 20 0 GFADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccsc3Br)ccn2)CC1 ZINC000527638263 564753203 /nfs/dbraw/zinc/75/32/03/564753203.db2.gz HJPAJMNDZCKYDE-UHFFFAOYSA-N 2 2 381.343 2.947 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571585 564764978 /nfs/dbraw/zinc/76/49/78/564764978.db2.gz AVUQXCNNLODHKP-HNNXBMFYSA-N 2 2 380.286 2.625 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000580571585 564764982 /nfs/dbraw/zinc/76/49/82/564764982.db2.gz AVUQXCNNLODHKP-HNNXBMFYSA-N 2 2 380.286 2.625 20 0 GFADLP CCCOc1ccc(Br)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491204797 564788809 /nfs/dbraw/zinc/78/88/09/564788809.db2.gz DUDPDDRYSGOQEZ-KRWDZBQOSA-N 2 2 382.346 2.717 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494244828 564819973 /nfs/dbraw/zinc/81/99/73/564819973.db2.gz LZWDUSPUJOYSGJ-CYBMUJFWSA-N 2 2 386.309 2.573 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494244828 564819977 /nfs/dbraw/zinc/81/99/77/564819977.db2.gz LZWDUSPUJOYSGJ-CYBMUJFWSA-N 2 2 386.309 2.573 20 0 GFADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494985380 564844912 /nfs/dbraw/zinc/84/49/12/564844912.db2.gz JNCCKJLLOJZQJV-GJZGRUSLSA-N 2 2 399.377 2.894 20 0 GFADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Br)cc1 ZINC000583258275 564883573 /nfs/dbraw/zinc/88/35/73/564883573.db2.gz QEEQWHVYVNGQKL-INIZCTEOSA-N 2 2 394.313 2.554 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000501055933 564969079 /nfs/dbraw/zinc/96/90/79/564969079.db2.gz XZWDBJWYNVHABN-UHFFFAOYSA-N 2 2 389.323 2.531 20 0 GFADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268734 564983352 /nfs/dbraw/zinc/98/33/52/564983352.db2.gz PHNZEUAFAHYIDB-DOTOQJQBSA-N 2 2 378.929 2.716 20 0 GFADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268734 564983357 /nfs/dbraw/zinc/98/33/57/564983357.db2.gz PHNZEUAFAHYIDB-DOTOQJQBSA-N 2 2 378.929 2.716 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469133 564996205 /nfs/dbraw/zinc/99/62/05/564996205.db2.gz ZYLNCESDWAWEKJ-KGLIPLIRSA-N 2 2 398.345 2.696 20 0 GFADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Br)c1 ZINC000561469133 564996208 /nfs/dbraw/zinc/99/62/08/564996208.db2.gz ZYLNCESDWAWEKJ-KGLIPLIRSA-N 2 2 398.345 2.696 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562208117 565020206 /nfs/dbraw/zinc/02/02/06/565020206.db2.gz QOBONLHGDVSZLQ-MRVPVSSYSA-N 2 2 386.091 2.977 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000562208117 565020210 /nfs/dbraw/zinc/02/02/10/565020210.db2.gz QOBONLHGDVSZLQ-MRVPVSSYSA-N 2 2 386.091 2.977 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622354 565076892 /nfs/dbraw/zinc/07/68/92/565076892.db2.gz PYQVSSMHJUQJSG-WMLDXEAASA-N 2 2 378.314 2.988 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622354 565076894 /nfs/dbraw/zinc/07/68/94/565076894.db2.gz PYQVSSMHJUQJSG-WMLDXEAASA-N 2 2 378.314 2.988 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccsc1 ZINC000590156779 565178338 /nfs/dbraw/zinc/17/83/38/565178338.db2.gz AAQBCMWESMMNHQ-GFCCVEGCSA-N 2 2 375.420 2.609 20 0 GFADLP C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000638172049 565187900 /nfs/dbraw/zinc/18/79/00/565187900.db2.gz NHONFOWVBOIZMV-SWLSCSKDSA-N 2 2 375.274 2.771 20 0 GFADLP C[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000638172049 565187902 /nfs/dbraw/zinc/18/79/02/565187902.db2.gz NHONFOWVBOIZMV-SWLSCSKDSA-N 2 2 375.274 2.771 20 0 GFADLP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413017 565195577 /nfs/dbraw/zinc/19/55/77/565195577.db2.gz VYTFNMKQCGIVOU-IPMKNSEASA-N 2 2 396.373 2.631 20 0 GFADLP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638413017 565195583 /nfs/dbraw/zinc/19/55/83/565195583.db2.gz VYTFNMKQCGIVOU-IPMKNSEASA-N 2 2 396.373 2.631 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C(C)(C)COC)CC1)c1cccc(Cl)c1Cl ZINC000659325745 565212711 /nfs/dbraw/zinc/21/27/11/565212711.db2.gz RZAGQOVAWMVEEQ-MRXNPFEDSA-N 2 2 388.339 2.823 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000639557924 565249974 /nfs/dbraw/zinc/24/99/74/565249974.db2.gz UNMPFLAIEQIUQJ-UHFFFAOYSA-N 2 2 377.287 2.792 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000592426244 565275406 /nfs/dbraw/zinc/27/54/06/565275406.db2.gz HCKYVMOQKFTPCT-AWEZNQCLSA-N 2 2 399.329 2.870 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000592426244 565275410 /nfs/dbraw/zinc/27/54/10/565275410.db2.gz HCKYVMOQKFTPCT-AWEZNQCLSA-N 2 2 399.329 2.870 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662279944 565358175 /nfs/dbraw/zinc/35/81/75/565358175.db2.gz BGIYWHWNPHIYCT-HOTGVXAUSA-N 2 2 384.318 2.571 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000663304401 565411906 /nfs/dbraw/zinc/41/19/06/565411906.db2.gz QBQWWGKACFTQON-DYVFJYSZSA-N 2 2 396.329 2.619 20 0 GFADLP Cc1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(Br)c(C)[nH+]1 ZINC000663731169 565432579 /nfs/dbraw/zinc/43/25/79/565432579.db2.gz IEIVFLGPHGZQSP-OAHLLOKOSA-N 2 2 383.334 2.937 20 0 GFADLP CCC1([NH+]2CCOCC2)CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000624704528 565572009 /nfs/dbraw/zinc/57/20/09/565572009.db2.gz WSNNESJTCBQPDD-UHFFFAOYSA-N 2 2 383.334 2.937 20 0 GFADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1C ZINC000667531194 565593432 /nfs/dbraw/zinc/59/34/32/565593432.db2.gz ZPCFLSLWEJUCCS-UHFFFAOYSA-N 2 2 392.301 2.737 20 0 GFADLP [NH3+]CC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(F)F ZINC000647071346 565635460 /nfs/dbraw/zinc/63/54/60/565635460.db2.gz NZEIKTBKXSJNPD-KBPBESRZSA-N 2 2 390.272 2.685 20 0 GFADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1ccc(Br)cc1 ZINC000625547314 565637869 /nfs/dbraw/zinc/63/78/69/565637869.db2.gz OHTATXLXAKUTKL-UHFFFAOYSA-N 2 2 396.329 2.574 20 0 GFADLP CC[C@@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000669559430 565692247 /nfs/dbraw/zinc/69/22/47/565692247.db2.gz ZZUGYOFJVGSFAS-DOMZBBRYSA-N 2 2 394.317 2.674 20 0 GFADLP O=c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc2ccc(Br)cn12 ZINC000674372906 565871199 /nfs/dbraw/zinc/87/11/99/565871199.db2.gz GRRMQABMGKDMCU-UHFFFAOYSA-N 2 2 388.269 2.560 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1Br ZINC000675886616 565919757 /nfs/dbraw/zinc/91/97/57/565919757.db2.gz SQIUGHWRDYLMMS-UONOGXRCSA-N 2 2 388.375 2.568 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccncc2Br)C1 ZINC000631110893 565941526 /nfs/dbraw/zinc/94/15/26/565941526.db2.gz PEKSZLPECXGTLP-KRWDZBQOSA-N 2 2 376.298 2.701 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccncc2Br)C1 ZINC000631110893 565941532 /nfs/dbraw/zinc/94/15/32/565941532.db2.gz PEKSZLPECXGTLP-KRWDZBQOSA-N 2 2 376.298 2.701 20 0 GFADLP CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653063502 565953467 /nfs/dbraw/zinc/95/34/67/565953467.db2.gz JWBFDMBQPJNOKX-LLVKDONJSA-N 2 2 378.698 2.719 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000653079821 565954266 /nfs/dbraw/zinc/95/42/66/565954266.db2.gz OJHAHMSJGVBPSL-CQSZACIVSA-N 2 2 397.342 2.714 20 0 GFADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000677654646 565980610 /nfs/dbraw/zinc/98/06/10/565980610.db2.gz XVZNYYJTHFVDGA-WMZOPIPTSA-N 2 2 384.351 2.977 20 0 GFADLP Brc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655710584 566083547 /nfs/dbraw/zinc/08/35/47/566083547.db2.gz AHWIMCMYOIQSKI-DLBZAZTESA-N 2 2 394.357 2.871 20 0 GFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702275 566155965 /nfs/dbraw/zinc/15/59/65/566155965.db2.gz NOQXOQBQLMKFFB-GJZGRUSLSA-N 2 2 389.309 2.790 20 0 GFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000656702275 566155969 /nfs/dbraw/zinc/15/59/69/566155969.db2.gz NOQXOQBQLMKFFB-GJZGRUSLSA-N 2 2 389.309 2.790 20 0 GFADLP c1coc([C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[NH+]2CCCC2)c1 ZINC000738449766 599258503 /nfs/dbraw/zinc/25/85/03/599258503.db2.gz VUJMMBNVMNDJBG-QGZVFWFLSA-N 2 2 375.436 2.679 20 0 GFADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438846 599362677 /nfs/dbraw/zinc/36/26/77/599362677.db2.gz XWNRQNBMNPUEES-INIZCTEOSA-N 2 2 378.480 2.550 20 0 GFADLP c1cc2[nH+]ccc(N3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2s1 ZINC000823757049 599466405 /nfs/dbraw/zinc/46/64/05/599466405.db2.gz KEFQPLXUTKCCCR-UHFFFAOYSA-N 2 2 377.477 2.799 20 0 GFADLP C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607292 599592920 /nfs/dbraw/zinc/59/29/20/599592920.db2.gz IMUXEZZTNKQLCT-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821607292 599592921 /nfs/dbraw/zinc/59/29/21/599592921.db2.gz IMUXEZZTNKQLCT-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821607292 599592922 /nfs/dbraw/zinc/59/29/22/599592922.db2.gz IMUXEZZTNKQLCT-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cc(-c2nn[nH]n2)ccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821607292 599592923 /nfs/dbraw/zinc/59/29/23/599592923.db2.gz IMUXEZZTNKQLCT-KRWDZBQOSA-N 2 2 380.471 2.960 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255130 606499996 /nfs/dbraw/zinc/49/99/96/606499996.db2.gz VIUYVICJQGMVRI-IUODEOHRSA-N 2 2 380.443 2.630 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255130 606499998 /nfs/dbraw/zinc/49/99/98/606499998.db2.gz VIUYVICJQGMVRI-IUODEOHRSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255130 606499999 /nfs/dbraw/zinc/49/99/99/606499999.db2.gz VIUYVICJQGMVRI-IUODEOHRSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@H](C)C1 ZINC000821255130 606500001 /nfs/dbraw/zinc/50/00/01/606500001.db2.gz VIUYVICJQGMVRI-IUODEOHRSA-N 2 2 380.443 2.630 20 0 GFADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000826304312 607903871 /nfs/dbraw/zinc/90/38/71/607903871.db2.gz GPGVKAGFCAWTSV-INIZCTEOSA-N 2 2 377.496 2.891 20 0 GFADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cc1 ZINC000826373802 608283772 /nfs/dbraw/zinc/28/37/72/608283772.db2.gz AFOUHQSDJXJNHW-UHFFFAOYSA-N 2 2 398.461 2.942 20 0 GFADLP Cc1ncsc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826331499 608654946 /nfs/dbraw/zinc/65/49/46/608654946.db2.gz KWUJWDVAGXXTHN-UHFFFAOYSA-N 2 2 392.492 2.502 20 0 GFADLP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)[nH+]1 ZINC000826269523 609232880 /nfs/dbraw/zinc/23/28/80/609232880.db2.gz ORGWPOWEPHISPF-XJKSGUPXSA-N 2 2 396.474 2.732 20 0 GFADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824657935 609245202 /nfs/dbraw/zinc/24/52/02/609245202.db2.gz SSOFJJJYWPZJKD-OAHLLOKOSA-N 2 2 392.511 2.965 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867795 654989357 /nfs/dbraw/zinc/98/93/57/654989357.db2.gz FRZAJEJZSDBPFQ-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000268867795 654989361 /nfs/dbraw/zinc/98/93/61/654989361.db2.gz FRZAJEJZSDBPFQ-HOTGVXAUSA-N 2 2 396.329 2.592 20 0 GFADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340734 655185479 /nfs/dbraw/zinc/18/54/79/655185479.db2.gz PQXQLPBWBIHDQF-PKOBYXMFSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340734 655185481 /nfs/dbraw/zinc/18/54/81/655185481.db2.gz PQXQLPBWBIHDQF-PKOBYXMFSA-N 2 2 390.325 2.817 20 0 GFADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)[C@H](C)[NH3+] ZINC000566067318 655424691 /nfs/dbraw/zinc/42/46/91/655424691.db2.gz VGFDSTVPLHMXCS-KGLIPLIRSA-N 2 2 379.302 2.658 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172924 655436689 /nfs/dbraw/zinc/43/66/89/655436689.db2.gz XLANGJDGKOINJT-IVMMDQJWSA-N 2 2 386.323 2.845 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000261964604 655443253 /nfs/dbraw/zinc/44/32/53/655443253.db2.gz HQSUIZKIMUJPGB-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1Br ZINC000261964604 655443254 /nfs/dbraw/zinc/44/32/54/655443254.db2.gz HQSUIZKIMUJPGB-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000840766581 661185447 /nfs/dbraw/zinc/18/54/47/661185447.db2.gz CEHRQXPHWOOXGI-AWEZNQCLSA-N 2 2 377.945 2.974 20 0 GFADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000840766581 661185454 /nfs/dbraw/zinc/18/54/54/661185454.db2.gz CEHRQXPHWOOXGI-AWEZNQCLSA-N 2 2 377.945 2.974 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2I)CCCO1 ZINC000762483032 656043985 /nfs/dbraw/zinc/04/39/85/656043985.db2.gz VNIINERUMQKHFO-CQSZACIVSA-N 2 2 388.293 2.882 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2I)CCCO1 ZINC000762483032 656043989 /nfs/dbraw/zinc/04/39/89/656043989.db2.gz VNIINERUMQKHFO-CQSZACIVSA-N 2 2 388.293 2.882 20 0 GFADLP CSCCCCCCNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000782202702 657114576 /nfs/dbraw/zinc/11/45/76/657114576.db2.gz VJHGKVYWDSMCHK-UHFFFAOYSA-N 2 2 386.675 2.933 20 0 GFADLP C[NH+](C)CCCNC(=S)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797412022 659017885 /nfs/dbraw/zinc/01/78/85/659017885.db2.gz XRURENQNQQIRGU-UHFFFAOYSA-N 2 2 379.961 2.865 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c12 ZINC000799933930 659245488 /nfs/dbraw/zinc/24/54/88/659245488.db2.gz GPVMNLAGCTTWGB-NEPJUHHUSA-N 2 2 380.261 2.833 20 0 GFADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c12 ZINC000799933930 659245502 /nfs/dbraw/zinc/24/55/02/659245502.db2.gz GPVMNLAGCTTWGB-NEPJUHHUSA-N 2 2 380.261 2.833 20 0 GFADLP CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845675751 661489538 /nfs/dbraw/zinc/48/95/38/661489538.db2.gz KFWIYISSFIBVDY-GDBMZVCRSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCCC[C@@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845675751 661489546 /nfs/dbraw/zinc/48/95/46/661489546.db2.gz KFWIYISSFIBVDY-GDBMZVCRSA-N 2 2 391.387 2.770 20 0 GFADLP Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484725 661594355 /nfs/dbraw/zinc/59/43/55/661594355.db2.gz FIBAHTMXDZYHPA-CQSZACIVSA-N 2 2 385.339 2.937 20 0 GFADLP Cc1nc(Cl)c(Cl)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484725 661594358 /nfs/dbraw/zinc/59/43/58/661594358.db2.gz FIBAHTMXDZYHPA-CQSZACIVSA-N 2 2 385.339 2.937 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000849280648 661702190 /nfs/dbraw/zinc/70/21/90/661702190.db2.gz YZXFWGIHWQSIEU-UHFFFAOYSA-N 2 2 376.492 2.553 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCc1cccc(C(F)(F)F)c1 ZINC000849280648 661702195 /nfs/dbraw/zinc/70/21/95/661702195.db2.gz YZXFWGIHWQSIEU-UHFFFAOYSA-N 2 2 376.492 2.553 20 0 GFADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)cc1F ZINC000858126608 662100012 /nfs/dbraw/zinc/10/00/12/662100012.db2.gz CRQYMXDKQCCFLD-CYBMUJFWSA-N 2 2 386.309 2.574 20 0 GFADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)cc1F ZINC000858126608 662100013 /nfs/dbraw/zinc/10/00/13/662100013.db2.gz CRQYMXDKQCCFLD-CYBMUJFWSA-N 2 2 386.309 2.574 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075645 662755240 /nfs/dbraw/zinc/75/52/40/662755240.db2.gz TUFGCGGFYZLUFW-UHOSZYNNSA-N 2 2 397.357 2.963 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872075645 662755241 /nfs/dbraw/zinc/75/52/41/662755241.db2.gz TUFGCGGFYZLUFW-UHOSZYNNSA-N 2 2 397.357 2.963 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccnc3Br)CC2)CC1 ZINC000876792079 662866545 /nfs/dbraw/zinc/86/65/45/662866545.db2.gz RAVIVIWMPKPYOQ-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP [NH3+]Cc1ocnc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000884218463 663067269 /nfs/dbraw/zinc/06/72/69/663067269.db2.gz ORGPCMJAJSIRHM-UHFFFAOYSA-N 2 2 383.279 2.835 20 0 GFADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC000892892994 663388718 /nfs/dbraw/zinc/38/87/18/663388718.db2.gz JDZXWCGPTRNOIF-NSHDSACASA-N 2 2 378.717 2.967 20 0 GFADLP Oc1cc(Br)cnc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000895347908 663509473 /nfs/dbraw/zinc/50/94/73/663509473.db2.gz VJYROMMDGQZZIH-UHFFFAOYSA-N 2 2 391.313 2.947 20 0 GFADLP CCn1c(Br)c(Br)nc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000921526435 664552163 /nfs/dbraw/zinc/55/21/63/664552163.db2.gz DMHYQMSOLWYOJO-VIFPVBQESA-N 2 2 391.111 2.803 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078261 664666402 /nfs/dbraw/zinc/66/64/02/664666402.db2.gz GRPXVKLOBDBTRN-HIFRSBDPSA-N 2 2 377.476 2.824 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548361 677395375 /nfs/dbraw/zinc/39/53/75/677395375.db2.gz MNKYQLJYNAWEML-MRXNPFEDSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548361 677395377 /nfs/dbraw/zinc/39/53/77/677395377.db2.gz MNKYQLJYNAWEML-MRXNPFEDSA-N 2 2 391.339 2.512 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841653 720505096 /nfs/dbraw/zinc/50/50/96/720505096.db2.gz ZHBYBWROAFGOIF-MISYRCLQSA-N 2 2 395.555 2.934 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841653 720505107 /nfs/dbraw/zinc/50/51/07/720505107.db2.gz ZHBYBWROAFGOIF-MISYRCLQSA-N 2 2 395.555 2.934 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839292 720572355 /nfs/dbraw/zinc/57/23/55/720572355.db2.gz PUOYNSNTLSNIIH-XUVXKRRUSA-N 2 2 397.571 2.897 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839292 720572368 /nfs/dbraw/zinc/57/23/68/720572368.db2.gz PUOYNSNTLSNIIH-XUVXKRRUSA-N 2 2 397.571 2.897 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151902760 551423068 /nfs/dbraw/zinc/42/30/68/551423068.db2.gz DOFIGAAKBBZTOY-MRXNPFEDSA-N 2 2 379.595 2.920 20 0 GFADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179601912 552197716 /nfs/dbraw/zinc/19/77/16/552197716.db2.gz ATBWIGHRWLBNOY-KRWDZBQOSA-N 2 2 380.330 2.532 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181060848 552244823 /nfs/dbraw/zinc/24/48/23/552244823.db2.gz PPLJDOFKQVFIJN-MRXNPFEDSA-N 2 2 379.302 2.893 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181060848 552244826 /nfs/dbraw/zinc/24/48/26/552244826.db2.gz PPLJDOFKQVFIJN-MRXNPFEDSA-N 2 2 379.302 2.893 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000183378140 552307797 /nfs/dbraw/zinc/30/77/97/552307797.db2.gz KAABQGOXHMXOHB-UHFFFAOYSA-N 2 2 393.272 2.939 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000183378140 552307801 /nfs/dbraw/zinc/30/78/01/552307801.db2.gz KAABQGOXHMXOHB-UHFFFAOYSA-N 2 2 393.272 2.939 20 0 GFADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000236638944 553069931 /nfs/dbraw/zinc/06/99/31/553069931.db2.gz GBEAOIKTOBKYDT-QXMXGUDHSA-N 2 2 377.286 2.634 20 0 GFADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350470 553150962 /nfs/dbraw/zinc/15/09/62/553150962.db2.gz SPWJRWMVGUNONQ-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350470 553150963 /nfs/dbraw/zinc/15/09/63/553150963.db2.gz SPWJRWMVGUNONQ-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350470 553150965 /nfs/dbraw/zinc/15/09/65/553150965.db2.gz SPWJRWMVGUNONQ-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350470 553150967 /nfs/dbraw/zinc/15/09/67/553150967.db2.gz SPWJRWMVGUNONQ-YOEHRIQHSA-N 2 2 380.330 2.828 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000261954081 553163611 /nfs/dbraw/zinc/16/36/11/553163611.db2.gz OKFJUSHIGQFNKH-SNVBAGLBSA-N 2 2 392.750 2.560 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)C1 ZINC000261954081 553163612 /nfs/dbraw/zinc/16/36/12/553163612.db2.gz OKFJUSHIGQFNKH-SNVBAGLBSA-N 2 2 392.750 2.560 20 0 GFADLP CC1CC[NH+](CCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000310660747 563434675 /nfs/dbraw/zinc/43/46/75/563434675.db2.gz VBUPPNYQRAPQGU-UHFFFAOYSA-N 2 2 379.311 2.959 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314288 563215524 /nfs/dbraw/zinc/21/55/24/563215524.db2.gz SAAJHMFAOIWBQU-INIZCTEOSA-N 2 2 383.334 2.576 20 0 GFADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418308811 563215740 /nfs/dbraw/zinc/21/57/40/563215740.db2.gz NDVYILMSDRNDME-UHFFFAOYSA-N 2 2 385.339 2.615 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418495315 563218573 /nfs/dbraw/zinc/21/85/73/563218573.db2.gz UEDGWTVZDUCWMM-WMLDXEAASA-N 2 2 397.361 2.822 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418573072 563220175 /nfs/dbraw/zinc/22/01/75/563220175.db2.gz UBAUHSYVIBOIML-BBRMVZONSA-N 2 2 383.334 2.575 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cc(O)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370697766 563252562 /nfs/dbraw/zinc/25/25/62/563252562.db2.gz MHKAHRGGHVYDRY-KBXCAEBGSA-N 2 2 382.346 2.613 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374373 563262893 /nfs/dbraw/zinc/26/28/93/563262893.db2.gz NRFBPPAZFXSJHP-KBXCAEBGSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374373 563262895 /nfs/dbraw/zinc/26/28/95/563262895.db2.gz NRFBPPAZFXSJHP-KBXCAEBGSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374376 563263173 /nfs/dbraw/zinc/26/31/73/563263173.db2.gz NRFBPPAZFXSJHP-RDTXWAMCSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000420374376 563263176 /nfs/dbraw/zinc/26/31/76/563263176.db2.gz NRFBPPAZFXSJHP-RDTXWAMCSA-N 2 2 380.330 2.702 20 0 GFADLP C[NH+](C)C1CCC(NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000420826996 563287336 /nfs/dbraw/zinc/28/73/36/563287336.db2.gz UZKXAWCJOKSLKA-UHFFFAOYSA-N 2 2 394.317 2.769 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626296 563345493 /nfs/dbraw/zinc/34/54/93/563345493.db2.gz DQYCAMQMGUJVFR-AWEZNQCLSA-N 2 2 380.330 2.624 20 0 GFADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422697037 563348651 /nfs/dbraw/zinc/34/86/51/563348651.db2.gz TXVBELQXIBXDIE-SUMWQHHRSA-N 2 2 376.298 2.936 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895751 563350027 /nfs/dbraw/zinc/35/00/27/563350027.db2.gz GMSUMHWZDHJILP-BFYDXBDKSA-N 2 2 382.346 2.632 20 0 GFADLP COc1cc(Br)ccc1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423036538 563353281 /nfs/dbraw/zinc/35/32/81/563353281.db2.gz UHCCSTKQFPRGCD-ZWKOTPCHSA-N 2 2 383.330 2.747 20 0 GFADLP CCn1ccnc1[C@@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313951 563359277 /nfs/dbraw/zinc/35/92/77/563359277.db2.gz XMAJVANKQNUXBS-DOMZBBRYSA-N 2 2 398.292 2.781 20 0 GFADLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351821 563360617 /nfs/dbraw/zinc/36/06/17/563360617.db2.gz ZRJXXYWGHLRAOU-ZUZCIYMTSA-N 2 2 380.341 2.681 20 0 GFADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000425099720 563404475 /nfs/dbraw/zinc/40/44/75/563404475.db2.gz QTTWWHDMZLMZCI-UHFFFAOYSA-N 2 2 394.317 2.741 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc(Br)c1 ZINC000375502703 563407430 /nfs/dbraw/zinc/40/74/30/563407430.db2.gz NJXIBFQVDZSRQK-FABXCBLPSA-N 2 2 377.286 2.853 20 0 GFADLP C[C@@H](CCSc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000376798350 563454952 /nfs/dbraw/zinc/45/49/52/563454952.db2.gz GIRHPBYCVSLSFG-WMZOPIPTSA-N 2 2 382.595 2.798 20 0 GFADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626740 563481807 /nfs/dbraw/zinc/48/18/07/563481807.db2.gz OFMZGTOWWUCSRF-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626740 563481812 /nfs/dbraw/zinc/48/18/12/563481812.db2.gz OFMZGTOWWUCSRF-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]cc1Br ZINC000332152806 563579578 /nfs/dbraw/zinc/57/95/78/563579578.db2.gz IZXUJCZBUGELTI-GVXVVHGQSA-N 2 2 382.306 2.501 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354601 563582183 /nfs/dbraw/zinc/58/21/83/563582183.db2.gz YQXBUXCAKWAVBT-CYBMUJFWSA-N 2 2 385.302 2.768 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354601 563582185 /nfs/dbraw/zinc/58/21/85/563582185.db2.gz YQXBUXCAKWAVBT-CYBMUJFWSA-N 2 2 385.302 2.768 20 0 GFADLP C[C@]1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375825 563595724 /nfs/dbraw/zinc/59/57/24/563595724.db2.gz RNCLAKZRDWKSOZ-HOCLYGCPSA-N 2 2 387.343 2.647 20 0 GFADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237460 563607541 /nfs/dbraw/zinc/60/75/41/563607541.db2.gz XCNBQFSZPBLTBI-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237460 563607543 /nfs/dbraw/zinc/60/75/43/563607543.db2.gz XCNBQFSZPBLTBI-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237460 563607547 /nfs/dbraw/zinc/60/75/47/563607547.db2.gz XCNBQFSZPBLTBI-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000433237460 563607550 /nfs/dbraw/zinc/60/75/50/563607550.db2.gz XCNBQFSZPBLTBI-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cccc(Cl)c1Cl ZINC000333843346 563643164 /nfs/dbraw/zinc/64/31/64/563643164.db2.gz LSWWUOOFWAMAQK-DOMZBBRYSA-N 2 2 384.307 2.632 20 0 GFADLP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1cccc(Cl)c1Cl ZINC000333843346 563643166 /nfs/dbraw/zinc/64/31/66/563643166.db2.gz LSWWUOOFWAMAQK-DOMZBBRYSA-N 2 2 384.307 2.632 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435376980 563648806 /nfs/dbraw/zinc/64/88/06/563648806.db2.gz WXEPGRSJZLFXJH-UHFFFAOYSA-N 2 2 399.329 2.883 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435376980 563648810 /nfs/dbraw/zinc/64/88/10/563648810.db2.gz WXEPGRSJZLFXJH-UHFFFAOYSA-N 2 2 399.329 2.883 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1ccc(Br)cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435433001 563650450 /nfs/dbraw/zinc/65/04/50/563650450.db2.gz LOHGJHVEKLCLPB-INIZCTEOSA-N 2 2 390.329 2.722 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@@H](C)O1 ZINC000438829832 563711969 /nfs/dbraw/zinc/71/19/69/563711969.db2.gz RUDOHSZMFXOQAI-CKEIUWERSA-N 2 2 394.313 2.783 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000414065841 563717401 /nfs/dbraw/zinc/71/74/01/563717401.db2.gz HLBGHLNPTHAPDY-HNNXBMFYSA-N 2 2 378.314 2.721 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000414065841 563717403 /nfs/dbraw/zinc/71/74/03/563717403.db2.gz HLBGHLNPTHAPDY-HNNXBMFYSA-N 2 2 378.314 2.721 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccc(Br)cn2)([NH+]2CCCCC2)CC1 ZINC000363643847 563729316 /nfs/dbraw/zinc/72/93/16/563729316.db2.gz VWDUORBWROXZIW-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204846 563746359 /nfs/dbraw/zinc/74/63/59/563746359.db2.gz BVBXYTKTHWMGJJ-QGZVFWFLSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3cccc(Br)c3)C2)CC1 ZINC000364204846 563746364 /nfs/dbraw/zinc/74/63/64/563746364.db2.gz BVBXYTKTHWMGJJ-QGZVFWFLSA-N 2 2 394.357 2.666 20 0 GFADLP COCC1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCOCC1 ZINC000291641616 563751293 /nfs/dbraw/zinc/75/12/93/563751293.db2.gz BNQKGGZNQZQNTI-UHFFFAOYSA-N 2 2 382.302 2.938 20 0 GFADLP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415007094 563757084 /nfs/dbraw/zinc/75/70/84/563757084.db2.gz UMEBKBPXONYRHW-JTQLQIEISA-N 2 2 376.238 2.909 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232170 563779372 /nfs/dbraw/zinc/77/93/72/563779372.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292232170 563779373 /nfs/dbraw/zinc/77/93/73/563779373.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292232170 563779375 /nfs/dbraw/zinc/77/93/75/563779375.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 2 394.357 2.824 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292232170 563779379 /nfs/dbraw/zinc/77/93/79/563779379.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 2 394.357 2.824 20 0 GFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000368017588 563862109 /nfs/dbraw/zinc/86/21/09/563862109.db2.gz FPTMVLMUJHGFPA-AEFFLSMTSA-N 2 2 396.373 2.815 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062705 563873650 /nfs/dbraw/zinc/87/36/50/563873650.db2.gz CUZDLIXNYQKCAI-KBPBESRZSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000447062705 563873652 /nfs/dbraw/zinc/87/36/52/563873652.db2.gz CUZDLIXNYQKCAI-KBPBESRZSA-N 2 2 376.444 2.825 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000448976960 563904448 /nfs/dbraw/zinc/90/44/48/563904448.db2.gz WMFBJBHSEHUGFI-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448976960 563904449 /nfs/dbraw/zinc/90/44/49/563904449.db2.gz WMFBJBHSEHUGFI-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449388545 564182815 /nfs/dbraw/zinc/18/28/15/564182815.db2.gz AJLKWSJKPRKEOU-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449388545 564182818 /nfs/dbraw/zinc/18/28/18/564182818.db2.gz AJLKWSJKPRKEOU-RHSMWYFYSA-N 2 2 398.345 2.603 20 0 GFADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385116 564182924 /nfs/dbraw/zinc/18/29/24/564182924.db2.gz DTLBQIZDDWLAOV-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449385116 564182927 /nfs/dbraw/zinc/18/29/27/564182927.db2.gz DTLBQIZDDWLAOV-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390386 564184087 /nfs/dbraw/zinc/18/40/87/564184087.db2.gz GQEYIYFCHICCMK-HNNXBMFYSA-N 2 2 399.329 2.547 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390386 564184089 /nfs/dbraw/zinc/18/40/89/564184089.db2.gz GQEYIYFCHICCMK-HNNXBMFYSA-N 2 2 399.329 2.547 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398794 564184973 /nfs/dbraw/zinc/18/49/73/564184973.db2.gz YVTVNTLUYUGIFU-ZDUSSCGKSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398794 564184978 /nfs/dbraw/zinc/18/49/78/564184978.db2.gz YVTVNTLUYUGIFU-ZDUSSCGKSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392330 564185044 /nfs/dbraw/zinc/18/50/44/564185044.db2.gz JTAWOGXNBHEXPE-SFHVURJKSA-N 2 2 393.329 2.571 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000449392330 564185046 /nfs/dbraw/zinc/18/50/46/564185046.db2.gz JTAWOGXNBHEXPE-SFHVURJKSA-N 2 2 393.329 2.571 20 0 GFADLP Cc1cc[nH+]cc1CCCNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000449771677 564201983 /nfs/dbraw/zinc/20/19/83/564201983.db2.gz YZZYHNCBPTTYNU-UHFFFAOYSA-N 2 2 391.313 3.429 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566230179 564318071 /nfs/dbraw/zinc/31/80/71/564318071.db2.gz PHNFYAWGJLZRQS-GDBMZVCRSA-N 2 2 383.330 2.906 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566230179 564318076 /nfs/dbraw/zinc/31/80/76/564318076.db2.gz PHNFYAWGJLZRQS-GDBMZVCRSA-N 2 2 383.330 2.906 20 0 GFADLP CC(C)[C@@H](C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510875152 564348925 /nfs/dbraw/zinc/34/89/25/564348925.db2.gz VQUDYKBMTVPIEE-CQSZACIVSA-N 2 2 397.317 2.902 20 0 GFADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510875152 564348928 /nfs/dbraw/zinc/34/89/28/564348928.db2.gz VQUDYKBMTVPIEE-CQSZACIVSA-N 2 2 397.317 2.902 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512415887 564400306 /nfs/dbraw/zinc/40/03/06/564400306.db2.gz PRFDUGHEQPLXHY-AOBFROOYSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@@]1=O ZINC000512415887 564400309 /nfs/dbraw/zinc/40/03/09/564400309.db2.gz PRFDUGHEQPLXHY-AOBFROOYSA-N 2 2 390.659 2.620 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479288624 564434404 /nfs/dbraw/zinc/43/44/04/564434404.db2.gz UJGFGBKHBFLPHQ-MAUKXSAKSA-N 2 2 396.373 2.912 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000479288624 564434407 /nfs/dbraw/zinc/43/44/07/564434407.db2.gz UJGFGBKHBFLPHQ-MAUKXSAKSA-N 2 2 396.373 2.912 20 0 GFADLP CC[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)C(F)F ZINC000453246135 564450310 /nfs/dbraw/zinc/45/03/10/564450310.db2.gz MIZBGQYTIPJCQY-CZUORRHYSA-N 2 2 377.501 2.611 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)COCC(C)C)[nH+]c12 ZINC000514856859 564460044 /nfs/dbraw/zinc/46/00/44/564460044.db2.gz GXTHOJOIFNESDQ-INIZCTEOSA-N 2 2 384.318 2.571 20 0 GFADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cncc(Br)c2)c2ccccc2)CC1 ZINC000546653500 564464184 /nfs/dbraw/zinc/46/41/84/564464184.db2.gz BQYDWJDHPLEOMC-LJQANCHMSA-N 2 2 389.341 2.922 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549092 564545570 /nfs/dbraw/zinc/54/55/70/564545570.db2.gz CQXOFMBEFSOWDT-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549092 564545574 /nfs/dbraw/zinc/54/55/74/564545574.db2.gz CQXOFMBEFSOWDT-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571797564 564567438 /nfs/dbraw/zinc/56/74/38/564567438.db2.gz XGLJQYUFKVOEIO-BQFCYCMXSA-N 2 2 392.341 2.654 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cc1Br ZINC000455868233 564578035 /nfs/dbraw/zinc/57/80/35/564578035.db2.gz QDEWVOMOELIMRY-RYUDHWBXSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cc1Br ZINC000455868233 564578039 /nfs/dbraw/zinc/57/80/39/564578039.db2.gz QDEWVOMOELIMRY-RYUDHWBXSA-N 2 2 382.306 2.658 20 0 GFADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551219934 564642654 /nfs/dbraw/zinc/64/26/54/564642654.db2.gz BBJPEEHZFHKLSB-KBPBESRZSA-N 2 2 388.293 2.880 20 0 GFADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487563124 564691068 /nfs/dbraw/zinc/69/10/68/564691068.db2.gz GJEQZTUGXOQTBA-OAHLLOKOSA-N 2 2 379.302 2.978 20 0 GFADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000487563124 564691070 /nfs/dbraw/zinc/69/10/70/564691070.db2.gz GJEQZTUGXOQTBA-OAHLLOKOSA-N 2 2 379.302 2.978 20 0 GFADLP CC(C)[N@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553155424 564711156 /nfs/dbraw/zinc/71/11/56/564711156.db2.gz IYQPEPPPYXBSFO-UHFFFAOYSA-N 2 2 383.290 2.608 20 0 GFADLP CC(C)[N@@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000553155424 564711162 /nfs/dbraw/zinc/71/11/62/564711162.db2.gz IYQPEPPPYXBSFO-UHFFFAOYSA-N 2 2 383.290 2.608 20 0 GFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527034221 564727345 /nfs/dbraw/zinc/72/73/45/564727345.db2.gz KGONHJBAEHUBQT-LLVKDONJSA-N 2 2 391.324 2.968 20 0 GFADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(O)c3Br)[nH+]c2)C1 ZINC000459448718 564745161 /nfs/dbraw/zinc/74/51/61/564745161.db2.gz LPDHCZWLKTVIQJ-OAHLLOKOSA-N 2 2 391.313 3.302 20 0 GFADLP Brc1ccc(-c2cnc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000489929960 564757528 /nfs/dbraw/zinc/75/75/28/564757528.db2.gz CRWNZSUIMXOIHZ-INIZCTEOSA-N 2 2 391.313 2.584 20 0 GFADLP FC(F)Oc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000491182456 564788700 /nfs/dbraw/zinc/78/87/00/564788700.db2.gz KMPAZPOXMCVTCJ-CYBMUJFWSA-N 2 2 390.272 2.530 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318154 564797383 /nfs/dbraw/zinc/79/73/83/564797383.db2.gz CVDPUBIXFUYNEU-WFASDCNBSA-N 2 2 398.276 2.551 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC(=O)NC3(C)C)[nH+]c12 ZINC000494933404 564845097 /nfs/dbraw/zinc/84/50/97/564845097.db2.gz UXVVNUDERZPDMV-CQSZACIVSA-N 2 2 379.302 2.595 20 0 GFADLP Brc1ccc2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2c1 ZINC000530248291 564873289 /nfs/dbraw/zinc/87/32/89/564873289.db2.gz IFRQXXSEMNSJMH-KRWDZBQOSA-N 2 2 393.329 2.687 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(N2CCOCC2)c1 ZINC000530244825 564873301 /nfs/dbraw/zinc/87/33/01/564873301.db2.gz PHWBEBJEJQIHCN-QGZVFWFLSA-N 2 2 380.330 2.660 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449025 564892429 /nfs/dbraw/zinc/89/24/29/564892429.db2.gz ZAVMYPJUVWRTES-CXAGYDPISA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000583449025 564892431 /nfs/dbraw/zinc/89/24/31/564892431.db2.gz ZAVMYPJUVWRTES-CXAGYDPISA-N 2 2 385.346 2.601 20 0 GFADLP OCC1([NH2+]CC2CC2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000584176081 564924378 /nfs/dbraw/zinc/92/43/78/564924378.db2.gz VTLQLXKGYRCMIF-UHFFFAOYSA-N 2 2 383.330 2.654 20 0 GFADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000533568941 564966831 /nfs/dbraw/zinc/96/68/31/564966831.db2.gz MSTDWAKWGQZNPW-YOEHRIQHSA-N 2 2 391.313 2.987 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C34CCC[NH+](CCC3)C4)[nH+]c12 ZINC000635796727 565076521 /nfs/dbraw/zinc/07/65/21/565076521.db2.gz DTKFVUMZRHIEFC-UHFFFAOYSA-N 2 2 391.313 2.897 20 0 GFADLP COc1sc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000657750400 565125903 /nfs/dbraw/zinc/12/59/03/565125903.db2.gz JJNKFYUDBPLYAR-GFCCVEGCSA-N 2 2 375.332 2.862 20 0 GFADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1Br ZINC000638986839 565220061 /nfs/dbraw/zinc/22/00/61/565220061.db2.gz DWNLPTCYJHQNQT-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CCOC1 ZINC000639063548 565223093 /nfs/dbraw/zinc/22/30/93/565223093.db2.gz XUZUMDARTLDOLM-CZUORRHYSA-N 2 2 382.302 2.589 20 0 GFADLP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581201 565234313 /nfs/dbraw/zinc/23/43/13/565234313.db2.gz MYEKQUKRXYKGRY-ZLDLUXBVSA-N 2 2 376.257 2.902 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cccc(F)c1Br ZINC000617763251 565257377 /nfs/dbraw/zinc/25/73/77/565257377.db2.gz KOQDXZVJKNVYNX-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cccc(F)c1Br ZINC000617763251 565257381 /nfs/dbraw/zinc/25/73/81/565257381.db2.gz KOQDXZVJKNVYNX-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)ccc1Br ZINC000617767814 565258550 /nfs/dbraw/zinc/25/85/50/565258550.db2.gz DIURMZWFRIHJCR-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)ccc1Br ZINC000617767814 565258552 /nfs/dbraw/zinc/25/85/52/565258552.db2.gz DIURMZWFRIHJCR-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662282950 565359571 /nfs/dbraw/zinc/35/95/71/565359571.db2.gz FFUMSKWTOBKMSQ-OAGGEKHMSA-N 2 2 384.318 2.714 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000662282950 565359575 /nfs/dbraw/zinc/35/95/75/565359575.db2.gz FFUMSKWTOBKMSQ-OAGGEKHMSA-N 2 2 384.318 2.714 20 0 GFADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1Br ZINC000662354739 565361982 /nfs/dbraw/zinc/36/19/82/565361982.db2.gz YJJGVHAKLMADAI-INIZCTEOSA-N 2 2 394.338 2.855 20 0 GFADLP Cc1ccc2[nH+]c(CNC(=O)c3sc4c(c3Br)C[NH2+]C4)cn2c1 ZINC000662399201 565366146 /nfs/dbraw/zinc/36/61/46/565366146.db2.gz ORIHWHRXEILIKK-UHFFFAOYSA-N 2 2 391.294 3.000 20 0 GFADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]([NH3+])c2ccccc2Br)ccc1F ZINC000662461969 565370278 /nfs/dbraw/zinc/37/02/78/565370278.db2.gz GKGGZSHAEGPOFT-QGZVFWFLSA-N 2 2 394.288 2.966 20 0 GFADLP Cc1nc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c(C)[nH+]1 ZINC000663654757 565430270 /nfs/dbraw/zinc/43/02/70/565430270.db2.gz OMABWEGTYAVWAY-SFHVURJKSA-N 2 2 391.313 2.905 20 0 GFADLP Cc1nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c(C)[nH+]1 ZINC000663654757 565430277 /nfs/dbraw/zinc/43/02/77/565430277.db2.gz OMABWEGTYAVWAY-SFHVURJKSA-N 2 2 391.313 2.905 20 0 GFADLP Cc1nc(NCc2ccnc(OCC[NH+](C)C)c2)c(Br)c(C)[nH+]1 ZINC000663754732 565433571 /nfs/dbraw/zinc/43/35/71/565433571.db2.gz MUZNSBIEMXGESR-UHFFFAOYSA-N 2 2 380.290 2.803 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000643548338 565435335 /nfs/dbraw/zinc/43/53/35/565435335.db2.gz OAXHPWRLCWVUQX-GHMZBOCLSA-N 2 2 392.352 2.966 20 0 GFADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000665281521 565494661 /nfs/dbraw/zinc/49/46/61/565494661.db2.gz FSDLEWKXMHMCNT-ZIAGYGMSSA-N 2 2 375.332 2.631 20 0 GFADLP Cc1cc(Br)c(F)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000625523123 565635066 /nfs/dbraw/zinc/63/50/66/565635066.db2.gz YSXYSMCNBJCDNA-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1cc(Br)c(F)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000625523123 565635069 /nfs/dbraw/zinc/63/50/69/565635069.db2.gz YSXYSMCNBJCDNA-ZDUSSCGKSA-N 2 2 398.320 2.795 20 0 GFADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985541 565667922 /nfs/dbraw/zinc/66/79/22/565667922.db2.gz SNQCGBJBCNLLAJ-IEBWSBKVSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985541 565667924 /nfs/dbraw/zinc/66/79/24/565667924.db2.gz SNQCGBJBCNLLAJ-IEBWSBKVSA-N 2 2 381.973 2.858 20 0 GFADLP C[C@]([NH3+])(C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Br)cc1 ZINC000649306392 565758149 /nfs/dbraw/zinc/75/81/49/565758149.db2.gz ONHZTKMHVDIFSB-LJQANCHMSA-N 2 2 388.309 2.755 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538278 565857855 /nfs/dbraw/zinc/85/78/55/565857855.db2.gz TUOHAYRVJAHYCI-WMZOPIPTSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000629538278 565857860 /nfs/dbraw/zinc/85/78/60/565857860.db2.gz TUOHAYRVJAHYCI-WMZOPIPTSA-N 2 2 378.314 2.778 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566605 565859222 /nfs/dbraw/zinc/85/92/22/565859222.db2.gz MYXPQTAGRSIIFS-SGMGOOAPSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566605 565859227 /nfs/dbraw/zinc/85/92/27/565859227.db2.gz MYXPQTAGRSIIFS-SGMGOOAPSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563281 565859589 /nfs/dbraw/zinc/85/95/89/565859589.db2.gz DNYZILPLERJPKN-OSAQELSMSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563281 565859593 /nfs/dbraw/zinc/85/95/93/565859593.db2.gz DNYZILPLERJPKN-OSAQELSMSA-N 2 2 377.838 2.804 20 0 GFADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887415 565981050 /nfs/dbraw/zinc/98/10/50/565981050.db2.gz NIVXFKIWWDCORU-WBMJQRKESA-N 2 2 384.293 2.991 20 0 GFADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887415 565981054 /nfs/dbraw/zinc/98/10/54/565981054.db2.gz NIVXFKIWWDCORU-WBMJQRKESA-N 2 2 384.293 2.991 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679832508 566055300 /nfs/dbraw/zinc/05/53/00/566055300.db2.gz QYKIQLSZHWTAKI-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679832508 566055307 /nfs/dbraw/zinc/05/53/07/566055307.db2.gz QYKIQLSZHWTAKI-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911989 566095691 /nfs/dbraw/zinc/09/56/91/566095691.db2.gz QDPUSCKVIMZOQW-FZMZJTMJSA-N 2 2 378.826 2.618 20 0 GFADLP C[NH+](C)Cc1ccsc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303464 566153018 /nfs/dbraw/zinc/15/30/18/566153018.db2.gz UVQILFXPQJVECU-UHFFFAOYSA-N 2 2 376.551 2.688 20 0 GFADLP Cc1cccc2c(NC[C@@H](c3cccs3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407464 599121552 /nfs/dbraw/zinc/12/15/52/599121552.db2.gz BOQAOUIMGYDKCP-HNNXBMFYSA-N 2 2 379.493 2.922 20 0 GFADLP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524341 598532377 /nfs/dbraw/zinc/53/23/77/598532377.db2.gz UXVNTSUJFWEPDL-UWJYYQICSA-N 2 2 394.523 2.743 20 0 GFADLP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524341 598532379 /nfs/dbraw/zinc/53/23/79/598532379.db2.gz UXVNTSUJFWEPDL-UWJYYQICSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524341 598532381 /nfs/dbraw/zinc/53/23/81/598532381.db2.gz UXVNTSUJFWEPDL-UWJYYQICSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524341 598532383 /nfs/dbraw/zinc/53/23/83/598532383.db2.gz UXVNTSUJFWEPDL-UWJYYQICSA-N 2 2 394.523 2.743 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655034 609251645 /nfs/dbraw/zinc/25/16/45/609251645.db2.gz AUWYTVVIZDXCIC-RDTXWAMCSA-N 2 2 378.484 2.575 20 0 GFADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824616875 609327774 /nfs/dbraw/zinc/32/77/74/609327774.db2.gz AGLMHCUIVNATDE-HNNXBMFYSA-N 2 2 396.470 2.689 20 0 GFADLP O[C@H](C[NH2+]Cc1cccc(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903570 654590016 /nfs/dbraw/zinc/59/00/16/654590016.db2.gz SBJJBVKMFTXJML-LJQANCHMSA-N 2 2 375.310 2.958 20 0 GFADLP O[C@H](C[NH2+]Cc1cccc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000030903570 654590017 /nfs/dbraw/zinc/59/00/17/654590017.db2.gz SBJJBVKMFTXJML-LJQANCHMSA-N 2 2 375.310 2.958 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383357 654992961 /nfs/dbraw/zinc/99/29/61/654992961.db2.gz QRBNZDKQZZRHHV-BLLLJJGKSA-N 2 2 398.320 2.753 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000134383357 654992965 /nfs/dbraw/zinc/99/29/65/654992965.db2.gz QRBNZDKQZZRHHV-BLLLJJGKSA-N 2 2 398.320 2.753 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCSC1 ZINC000268997676 654994398 /nfs/dbraw/zinc/99/43/98/654994398.db2.gz TZELIRLIXOXFLQ-IBGZPJMESA-N 2 2 381.973 2.972 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370905 655120327 /nfs/dbraw/zinc/12/03/27/655120327.db2.gz PMOLOJOQFFCXGP-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c(Br)c3)C2)CC1 ZINC000107370905 655120331 /nfs/dbraw/zinc/12/03/31/655120331.db2.gz PMOLOJOQFFCXGP-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164073913 655136640 /nfs/dbraw/zinc/13/66/40/655136640.db2.gz PEVUVECXFRTYRZ-QGZVFWFLSA-N 2 2 388.339 2.511 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000164073913 655136644 /nfs/dbraw/zinc/13/66/44/655136644.db2.gz PEVUVECXFRTYRZ-QGZVFWFLSA-N 2 2 388.339 2.511 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579592452 655501917 /nfs/dbraw/zinc/50/19/17/655501917.db2.gz UKZFTAQOLSGHJV-HUUCEWRRSA-N 2 2 375.314 2.985 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000579592452 655501918 /nfs/dbraw/zinc/50/19/18/655501918.db2.gz UKZFTAQOLSGHJV-HUUCEWRRSA-N 2 2 375.314 2.985 20 0 GFADLP CN(C(=O)/C=C\c1ccc(Br)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564162 655598058 /nfs/dbraw/zinc/59/80/58/655598058.db2.gz OZHSBHXZLLRIRL-VOKGJARPSA-N 2 2 396.329 2.682 20 0 GFADLP CN(C(=O)/C=C\c1ccc(Br)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564162 655598059 /nfs/dbraw/zinc/59/80/59/655598059.db2.gz OZHSBHXZLLRIRL-VOKGJARPSA-N 2 2 396.329 2.682 20 0 GFADLP Cc1cnc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000776041697 656704977 /nfs/dbraw/zinc/70/49/77/656704977.db2.gz JDVJDVJKNXFUTN-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1cnc(Br)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000776041697 656704989 /nfs/dbraw/zinc/70/49/89/656704989.db2.gz JDVJDVJKNXFUTN-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738099 657256750 /nfs/dbraw/zinc/25/67/50/657256750.db2.gz PAQVTIBDDOLZRA-HNNXBMFYSA-N 2 2 397.386 2.904 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccc(Br)cc3)C2)CC1 ZINC000783738099 657256765 /nfs/dbraw/zinc/25/67/65/657256765.db2.gz PAQVTIBDDOLZRA-HNNXBMFYSA-N 2 2 397.386 2.904 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802733133 659500698 /nfs/dbraw/zinc/50/06/98/659500698.db2.gz JTRNGEUFCBIURB-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1Cc2ccc(Br)cc2C1=O ZINC000802733133 659500709 /nfs/dbraw/zinc/50/07/09/659500709.db2.gz JTRNGEUFCBIURB-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP CN(CCC[N@H+](C)Cc1ccccc1I)CC[NH+](C)C ZINC000809788777 659939376 /nfs/dbraw/zinc/93/93/76/659939376.db2.gz VYZUESHCTCMSCE-UHFFFAOYSA-N 2 2 389.325 2.607 20 0 GFADLP CN(CCC[N@@H+](C)Cc1ccccc1I)CC[NH+](C)C ZINC000809788777 659939377 /nfs/dbraw/zinc/93/93/77/659939377.db2.gz VYZUESHCTCMSCE-UHFFFAOYSA-N 2 2 389.325 2.607 20 0 GFADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843052584 661365380 /nfs/dbraw/zinc/36/53/80/661365380.db2.gz NZBMHXDJKKBACG-UHFFFAOYSA-N 2 2 382.339 2.825 20 0 GFADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843052584 661365384 /nfs/dbraw/zinc/36/53/84/661365384.db2.gz NZBMHXDJKKBACG-UHFFFAOYSA-N 2 2 382.339 2.825 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865799285 662444161 /nfs/dbraw/zinc/44/41/61/662444161.db2.gz NHVYIWBUQGLOKH-BUHFOSPRSA-N 2 2 398.345 2.930 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865799285 662444163 /nfs/dbraw/zinc/44/41/63/662444163.db2.gz NHVYIWBUQGLOKH-BUHFOSPRSA-N 2 2 398.345 2.930 20 0 GFADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208689 662803955 /nfs/dbraw/zinc/80/39/55/662803955.db2.gz RYPKIZGVIREBCQ-UHFFFAOYSA-N 2 2 395.326 2.622 20 0 GFADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208689 662803956 /nfs/dbraw/zinc/80/39/56/662803956.db2.gz RYPKIZGVIREBCQ-UHFFFAOYSA-N 2 2 395.326 2.622 20 0 GFADLP C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151574 662890974 /nfs/dbraw/zinc/89/09/74/662890974.db2.gz XUFXWKKUIFVVSP-HOTGVXAUSA-N 2 2 394.313 2.924 20 0 GFADLP C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000878151574 662890975 /nfs/dbraw/zinc/89/09/75/662890975.db2.gz XUFXWKKUIFVVSP-HOTGVXAUSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000878151574 662890977 /nfs/dbraw/zinc/89/09/77/662890977.db2.gz XUFXWKKUIFVVSP-HOTGVXAUSA-N 2 2 394.313 2.924 20 0 GFADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000878151574 662890978 /nfs/dbraw/zinc/89/09/78/662890978.db2.gz XUFXWKKUIFVVSP-HOTGVXAUSA-N 2 2 394.313 2.924 20 0 GFADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C[C@H]1C(F)(F)F ZINC000893099458 663396558 /nfs/dbraw/zinc/39/65/58/663396558.db2.gz YZURSBSMDJDREJ-DSJMHWKBSA-N 2 2 382.492 2.924 20 0 GFADLP COc1ccc(Br)c(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913607 663811261 /nfs/dbraw/zinc/81/12/61/663811261.db2.gz PVIFBEXOLIMLMW-AWEZNQCLSA-N 2 2 395.345 2.749 20 0 GFADLP COc1ccc(Br)c(C[N@@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913607 663811264 /nfs/dbraw/zinc/81/12/64/663811264.db2.gz PVIFBEXOLIMLMW-AWEZNQCLSA-N 2 2 395.345 2.749 20 0 GFADLP C[N@@H+]1C[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)C[C@]2(C)C1 ZINC000904436409 663834290 /nfs/dbraw/zinc/83/42/90/663834290.db2.gz KQRVGHJPFPZQHL-ACJLOTCBSA-N 2 2 376.298 2.605 20 0 GFADLP C[N@H+]1C[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)C[C@]2(C)C1 ZINC000904436409 663834291 /nfs/dbraw/zinc/83/42/91/663834291.db2.gz KQRVGHJPFPZQHL-ACJLOTCBSA-N 2 2 376.298 2.605 20 0 GFADLP C[NH+]1C[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C[C@]2(C)C1 ZINC000904436409 663834293 /nfs/dbraw/zinc/83/42/93/663834293.db2.gz KQRVGHJPFPZQHL-ACJLOTCBSA-N 2 2 376.298 2.605 20 0 GFADLP C[NH+]1C[C@@H]2C[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)C[C@]2(C)C1 ZINC000904436409 663834294 /nfs/dbraw/zinc/83/42/94/663834294.db2.gz KQRVGHJPFPZQHL-ACJLOTCBSA-N 2 2 376.298 2.605 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426228 664630195 /nfs/dbraw/zinc/63/01/95/664630195.db2.gz OFAYXVQYQXEBAJ-OUAUKWLOSA-N 2 2 387.229 2.802 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C(F)(F)F ZINC000923426228 664630197 /nfs/dbraw/zinc/63/01/97/664630197.db2.gz OFAYXVQYQXEBAJ-OUAUKWLOSA-N 2 2 387.229 2.802 20 0 GFADLP CCc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621430 664830195 /nfs/dbraw/zinc/83/01/95/664830195.db2.gz KIIJJNWJZJEYMU-MRXNPFEDSA-N 2 2 394.357 2.910 20 0 GFADLP CCc1ccc(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621430 664830196 /nfs/dbraw/zinc/83/01/96/664830196.db2.gz KIIJJNWJZJEYMU-MRXNPFEDSA-N 2 2 394.357 2.910 20 0 GFADLP Cc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC001164830707 720344796 /nfs/dbraw/zinc/34/47/96/720344796.db2.gz WPWUVVGYFRJCGH-MOPGFXCFSA-N 2 2 383.540 2.574 20 0 GFADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@@H]2C1 ZINC001164858456 720855371 /nfs/dbraw/zinc/85/53/71/720855371.db2.gz SCWCKLZIYYWPHB-UTKZUKDTSA-N 2 2 385.508 2.725 20 0 GFADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4cc(OC)ccc4[nH+]3)CC[C@@H]2C1 ZINC001164858456 720855374 /nfs/dbraw/zinc/85/53/74/720855374.db2.gz SCWCKLZIYYWPHB-UTKZUKDTSA-N 2 2 385.508 2.725 20 0 GFADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H]1c1cnn(C)c1 ZINC000328637741 206236930 /nfs/dbraw/zinc/23/69/30/206236930.db2.gz OTRULGPFCAQHSN-PZJWPPBQSA-N 2 2 383.540 2.685 20 0 GFADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C(=O)NC)cc2)[C@@H]1c1cnn(C)c1 ZINC000328637741 206236933 /nfs/dbraw/zinc/23/69/33/206236933.db2.gz OTRULGPFCAQHSN-PZJWPPBQSA-N 2 2 383.540 2.685 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H]1c1cnn(C)c1 ZINC000328637741 206236936 /nfs/dbraw/zinc/23/69/36/206236936.db2.gz OTRULGPFCAQHSN-PZJWPPBQSA-N 2 2 383.540 2.685 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)[C@@H]1c1cnn(C)c1 ZINC000328637741 206236941 /nfs/dbraw/zinc/23/69/41/206236941.db2.gz OTRULGPFCAQHSN-PZJWPPBQSA-N 2 2 383.540 2.685 20 0 GFADLP COc1cccc([C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927280 206270656 /nfs/dbraw/zinc/27/06/56/206270656.db2.gz KSGHQUYUFRVNBU-XLIONFOSSA-N 2 2 399.539 2.938 20 0 GFADLP COc1cccc([C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927280 206270658 /nfs/dbraw/zinc/27/06/58/206270658.db2.gz KSGHQUYUFRVNBU-XLIONFOSSA-N 2 2 399.539 2.938 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000093790951 551195935 /nfs/dbraw/zinc/19/59/35/551195935.db2.gz ZPNGOSYPFMIMHB-INIZCTEOSA-N 2 2 382.346 2.540 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000093790951 551195938 /nfs/dbraw/zinc/19/59/38/551195938.db2.gz ZPNGOSYPFMIMHB-INIZCTEOSA-N 2 2 382.346 2.540 20 0 GFADLP Cc1cc(Br)c(NC(=O)C[N@H+](C)CCC[NH3+])c(Br)c1 ZINC000123271080 551304755 /nfs/dbraw/zinc/30/47/55/551304755.db2.gz RXCDYFXLIRBYAM-UHFFFAOYSA-N 2 2 393.123 2.739 20 0 GFADLP Cc1cc(Br)c(NC(=O)C[N@@H+](C)CCC[NH3+])c(Br)c1 ZINC000123271080 551304756 /nfs/dbraw/zinc/30/47/56/551304756.db2.gz RXCDYFXLIRBYAM-UHFFFAOYSA-N 2 2 393.123 2.739 20 0 GFADLP C[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000124430528 551314815 /nfs/dbraw/zinc/31/48/15/551314815.db2.gz BXCJRJKLJGYBEA-AWEZNQCLSA-N 2 2 379.302 2.845 20 0 GFADLP C[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000124430528 551314816 /nfs/dbraw/zinc/31/48/16/551314816.db2.gz BXCJRJKLJGYBEA-AWEZNQCLSA-N 2 2 379.302 2.845 20 0 GFADLP C[C@H](Cc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000157420549 551538139 /nfs/dbraw/zinc/53/81/39/551538139.db2.gz BAQBRSRFIZWVDA-OAHLLOKOSA-N 2 2 396.373 2.770 20 0 GFADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000158338782 551550656 /nfs/dbraw/zinc/55/06/56/551550656.db2.gz WPRGTUNUMKSATC-DOMZBBRYSA-N 2 2 394.317 2.625 20 0 GFADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000158338782 551550658 /nfs/dbraw/zinc/55/06/58/551550658.db2.gz WPRGTUNUMKSATC-DOMZBBRYSA-N 2 2 394.317 2.625 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168261104 551634026 /nfs/dbraw/zinc/63/40/26/551634026.db2.gz HKNWHIYRBBOLLC-AWEZNQCLSA-N 2 2 398.345 2.867 20 0 GFADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000170784457 551639769 /nfs/dbraw/zinc/63/97/69/551639769.db2.gz LZCRGBFVQGCLTG-UHFFFAOYSA-N 2 2 386.323 2.976 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000175366700 552119952 /nfs/dbraw/zinc/11/99/52/552119952.db2.gz QBHOJNZPXIQDHR-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ncc(Br)s1 ZINC000179200199 552186577 /nfs/dbraw/zinc/18/65/77/552186577.db2.gz DUBCMRORLUUZIO-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179601903 552197799 /nfs/dbraw/zinc/19/77/99/552197799.db2.gz ATBWIGHRWLBNOY-QGZVFWFLSA-N 2 2 380.330 2.532 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Br)c3F)CC2)CC1 ZINC000192000847 552545395 /nfs/dbraw/zinc/54/53/95/552545395.db2.gz FQBPJWDSJNTDHV-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370697769 563252393 /nfs/dbraw/zinc/25/23/93/563252393.db2.gz MHKAHRGGHVYDRY-RDTXWAMCSA-N 2 2 382.346 2.613 20 0 GFADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486492 563257833 /nfs/dbraw/zinc/25/78/33/563257833.db2.gz PDCPVTZCLYKCIZ-YQQAZPJKSA-N 2 2 378.314 2.771 20 0 GFADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486492 563257834 /nfs/dbraw/zinc/25/78/34/563257834.db2.gz PDCPVTZCLYKCIZ-YQQAZPJKSA-N 2 2 378.314 2.771 20 0 GFADLP Brc1ccc(C[N@@H+]2CCCOCC2)c(C[NH+]2CCCOCC2)c1 ZINC000373033521 563326301 /nfs/dbraw/zinc/32/63/01/563326301.db2.gz CTLAWQIMMWEYFC-UHFFFAOYSA-N 2 2 383.330 2.894 20 0 GFADLP Brc1ccc(C[N@H+]2CCCOCC2)c(C[NH+]2CCCOCC2)c1 ZINC000373033521 563326305 /nfs/dbraw/zinc/32/63/05/563326305.db2.gz CTLAWQIMMWEYFC-UHFFFAOYSA-N 2 2 383.330 2.894 20 0 GFADLP Brc1ccc(C[NH+]2CCCOCC2)c(C[N@@H+]2CCCOCC2)c1 ZINC000373033521 563326306 /nfs/dbraw/zinc/32/63/06/563326306.db2.gz CTLAWQIMMWEYFC-UHFFFAOYSA-N 2 2 383.330 2.894 20 0 GFADLP Brc1ccc(C[NH+]2CCCOCC2)c(C[N@H+]2CCCOCC2)c1 ZINC000373033521 563326308 /nfs/dbraw/zinc/32/63/08/563326308.db2.gz CTLAWQIMMWEYFC-UHFFFAOYSA-N 2 2 383.330 2.894 20 0 GFADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000422697036 563348514 /nfs/dbraw/zinc/34/85/14/563348514.db2.gz TXVBELQXIBXDIE-GUYCJALGSA-N 2 2 376.298 2.936 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000422950197 563351528 /nfs/dbraw/zinc/35/15/28/563351528.db2.gz XIBJVMZGILGLMV-MFKMUULPSA-N 2 2 379.245 2.907 20 0 GFADLP COc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000422948577 563351562 /nfs/dbraw/zinc/35/15/62/563351562.db2.gz SNKITSVVSGFMEA-NUEKZKHPSA-N 2 2 399.329 2.713 20 0 GFADLP Brc1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2c1 ZINC000423034265 563353185 /nfs/dbraw/zinc/35/31/85/563353185.db2.gz PQSCFEDZNQDMBD-ZWKOTPCHSA-N 2 2 378.314 2.830 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188854 563358588 /nfs/dbraw/zinc/35/85/88/563358588.db2.gz QQVJGXMGFNHKDK-DNVCBOLYSA-N 2 2 396.373 2.770 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447969 563361268 /nfs/dbraw/zinc/36/12/68/563361268.db2.gz PKLCGFUJIICESP-SLEUVZQESA-N 2 2 398.292 2.922 20 0 GFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510934 563361278 /nfs/dbraw/zinc/36/12/78/563361278.db2.gz SXLUGBQENQYSGL-OTYXRUKQSA-N 2 2 380.341 2.809 20 0 GFADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418001 563361506 /nfs/dbraw/zinc/36/15/06/563361506.db2.gz TYFMNMISHHAFMZ-ABAIWWIYSA-N 2 2 392.256 2.850 20 0 GFADLP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240061 563402908 /nfs/dbraw/zinc/40/29/08/563402908.db2.gz PVVSHVKUIJFROY-MAUKXSAKSA-N 2 2 383.330 2.527 20 0 GFADLP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000282240061 563402911 /nfs/dbraw/zinc/40/29/11/563402911.db2.gz PVVSHVKUIJFROY-MAUKXSAKSA-N 2 2 383.330 2.527 20 0 GFADLP CCC[NH+]1CCC([NH+]2CCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000376503394 563443785 /nfs/dbraw/zinc/44/37/85/563443785.db2.gz AFUUMRAFGSOOEZ-HNNXBMFYSA-N 2 2 396.377 2.792 20 0 GFADLP C[C@H]1CN(C(=O)c2cccc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369592 563504622 /nfs/dbraw/zinc/50/46/22/563504622.db2.gz YFZRYCPECYYHFQ-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@H]1CN(C(=O)c2cccc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369592 563504623 /nfs/dbraw/zinc/50/46/23/563504623.db2.gz YFZRYCPECYYHFQ-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256623 563608235 /nfs/dbraw/zinc/60/82/35/563608235.db2.gz AYRCBVJPERLJSL-NVXWUHKLSA-N 2 2 380.330 2.971 20 0 GFADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000433256623 563608238 /nfs/dbraw/zinc/60/82/38/563608238.db2.gz AYRCBVJPERLJSL-NVXWUHKLSA-N 2 2 380.330 2.971 20 0 GFADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019410 563694982 /nfs/dbraw/zinc/69/49/82/563694982.db2.gz ZWVNFPDSULOCDN-KBXCAEBGSA-N 2 2 384.362 2.990 20 0 GFADLP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019410 563694985 /nfs/dbraw/zinc/69/49/85/563694985.db2.gz ZWVNFPDSULOCDN-KBXCAEBGSA-N 2 2 384.362 2.990 20 0 GFADLP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507305 563696144 /nfs/dbraw/zinc/69/61/44/563696144.db2.gz LULHOFUACDCAES-ZWKOTPCHSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507305 563696146 /nfs/dbraw/zinc/69/61/46/563696146.db2.gz LULHOFUACDCAES-ZWKOTPCHSA-N 2 2 379.595 2.752 20 0 GFADLP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(Br)o1 ZINC000364330619 563749586 /nfs/dbraw/zinc/74/95/86/563749586.db2.gz IOQBNMJJKRQBNY-UHFFFAOYSA-N 2 2 396.333 2.516 20 0 GFADLP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(Br)o1 ZINC000364330619 563749589 /nfs/dbraw/zinc/74/95/89/563749589.db2.gz IOQBNMJJKRQBNY-UHFFFAOYSA-N 2 2 396.333 2.516 20 0 GFADLP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Br)c1O ZINC000414877245 563753392 /nfs/dbraw/zinc/75/33/92/563753392.db2.gz LUHHQDDDSHOIKO-UHFFFAOYSA-N 2 2 380.286 2.828 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849983 563753680 /nfs/dbraw/zinc/75/36/80/563753680.db2.gz RVBOIQDXJFGYPV-AWEZNQCLSA-N 2 2 385.302 2.541 20 0 GFADLP COC[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414936255 563754496 /nfs/dbraw/zinc/75/44/96/563754496.db2.gz BUUZLKCUPRUMID-OAHLLOKOSA-N 2 2 379.245 2.909 20 0 GFADLP CCOc1c(Br)cc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1OC ZINC000414946838 563755170 /nfs/dbraw/zinc/75/51/70/563755170.db2.gz TYHXOPVELAOCQI-QGZVFWFLSA-N 2 2 387.318 2.715 20 0 GFADLP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000415048852 563758159 /nfs/dbraw/zinc/75/81/59/563758159.db2.gz XMFSAHUQXWLHNK-NSHDSACASA-N 2 2 383.208 2.816 20 0 GFADLP CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365221902 563777650 /nfs/dbraw/zinc/77/76/50/563777650.db2.gz IJNHFNLAGQSYLA-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(F)ccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365221902 563777652 /nfs/dbraw/zinc/77/76/52/563777652.db2.gz IJNHFNLAGQSYLA-OAHLLOKOSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462414 563809153 /nfs/dbraw/zinc/80/91/53/563809153.db2.gz DRHVWAIPTFEDNI-ZJUUUORDSA-N 2 2 389.308 2.503 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481680 563846271 /nfs/dbraw/zinc/84/62/71/563846271.db2.gz WIGRZLIZFMFEOO-CRAIPNDOSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481680 563846275 /nfs/dbraw/zinc/84/62/75/563846275.db2.gz WIGRZLIZFMFEOO-CRAIPNDOSA-N 2 2 392.345 2.931 20 0 GFADLP C[NH2+]CCC1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000417209464 563873278 /nfs/dbraw/zinc/87/32/78/563873278.db2.gz CLILQESFQLENCD-UHFFFAOYSA-N 2 2 394.317 2.628 20 0 GFADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417209372 563873296 /nfs/dbraw/zinc/87/32/96/563873296.db2.gz CCUAKNFHBVAGCP-CQSZACIVSA-N 2 2 394.317 2.674 20 0 GFADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417218142 563873822 /nfs/dbraw/zinc/87/38/22/563873822.db2.gz KWBNJLFHPZWLLN-RISCZKNCSA-N 2 2 380.290 2.508 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279949 563891160 /nfs/dbraw/zinc/89/11/60/563891160.db2.gz ZXEHZOZMSOMDBE-CQSZACIVSA-N 2 2 376.551 2.770 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(-c4ccsc4)n3)C2)CC1 ZINC000369279949 563891163 /nfs/dbraw/zinc/89/11/63/563891163.db2.gz ZXEHZOZMSOMDBE-CQSZACIVSA-N 2 2 376.551 2.770 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)[nH+]c12 ZINC000418017643 563895482 /nfs/dbraw/zinc/89/54/82/563895482.db2.gz HQDCSFIVLYYRLJ-AWEZNQCLSA-N 2 2 394.317 2.737 20 0 GFADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372748 564181616 /nfs/dbraw/zinc/18/16/16/564181616.db2.gz ADCVRVYDKXYOET-CRAIPNDOSA-N 2 2 390.325 2.721 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449372748 564181619 /nfs/dbraw/zinc/18/16/19/564181619.db2.gz ADCVRVYDKXYOET-CRAIPNDOSA-N 2 2 390.325 2.721 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449681883 564195384 /nfs/dbraw/zinc/19/53/84/564195384.db2.gz MSTVQVVYSSUKSF-DEYYWGMASA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449681883 564195391 /nfs/dbraw/zinc/19/53/91/564195391.db2.gz MSTVQVVYSSUKSF-DEYYWGMASA-N 2 2 397.357 2.681 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)cc(Cl)c1 ZINC000539085517 564208464 /nfs/dbraw/zinc/20/84/64/564208464.db2.gz XJXLOFZYFNZTHH-SUMWQHHRSA-N 2 2 386.323 2.577 20 0 GFADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474724608 564286867 /nfs/dbraw/zinc/28/68/67/564286867.db2.gz BZRKJYQQFUWZFI-YESZJQIVSA-N 2 2 386.005 2.873 20 0 GFADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000475055081 564298141 /nfs/dbraw/zinc/29/81/41/564298141.db2.gz REKKASWQZRWBAZ-QWRGUYRKSA-N 2 2 377.411 2.598 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000542767929 564325707 /nfs/dbraw/zinc/32/57/07/564325707.db2.gz GODZYAAJTNLEIQ-LBPRGKRZSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000542767929 564325711 /nfs/dbraw/zinc/32/57/11/564325711.db2.gz GODZYAAJTNLEIQ-LBPRGKRZSA-N 2 2 394.317 2.687 20 0 GFADLP CC1(C)C[NH+](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000566570289 564332734 /nfs/dbraw/zinc/33/27/34/564332734.db2.gz GZELDLZBKZWQTI-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP CC(C)OC[C@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934575 564350585 /nfs/dbraw/zinc/35/05/85/564350585.db2.gz GPAIZGMIISZOJH-CQSZACIVSA-N 2 2 386.290 2.527 20 0 GFADLP CC(C)OC[C@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934575 564350589 /nfs/dbraw/zinc/35/05/89/564350589.db2.gz GPAIZGMIISZOJH-CQSZACIVSA-N 2 2 386.290 2.527 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042068 564354927 /nfs/dbraw/zinc/35/49/27/564354927.db2.gz AQIOMVIKKZHMRY-BLLLJJGKSA-N 2 2 386.277 2.742 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042068 564354930 /nfs/dbraw/zinc/35/49/30/564354930.db2.gz AQIOMVIKKZHMRY-BLLLJJGKSA-N 2 2 386.277 2.742 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232083 564363282 /nfs/dbraw/zinc/36/32/82/564363282.db2.gz ANBHWNJBNIYZGV-SKDZVZGDSA-N 2 2 385.936 2.826 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232083 564363284 /nfs/dbraw/zinc/36/32/84/564363284.db2.gz ANBHWNJBNIYZGV-SKDZVZGDSA-N 2 2 385.936 2.826 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000511996079 564388500 /nfs/dbraw/zinc/38/85/00/564388500.db2.gz FPLHHHBULCHKEQ-ROUUACIJSA-N 2 2 383.330 2.925 20 0 GFADLP C[N@@H+]1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@H](C[NH3+])C1 ZINC000568510734 564422389 /nfs/dbraw/zinc/42/23/89/564422389.db2.gz DLNTXPABHSFPFX-CQSZACIVSA-N 2 2 381.343 2.647 20 0 GFADLP C[N@H+]1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@H](C[NH3+])C1 ZINC000568510734 564422391 /nfs/dbraw/zinc/42/23/91/564422391.db2.gz DLNTXPABHSFPFX-CQSZACIVSA-N 2 2 381.343 2.647 20 0 GFADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615357 564426929 /nfs/dbraw/zinc/42/69/29/564426929.db2.gz LHMVQMKPXLZECR-RHSMWYFYSA-N 2 2 390.329 2.946 20 0 GFADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615357 564426931 /nfs/dbraw/zinc/42/69/31/564426931.db2.gz LHMVQMKPXLZECR-RHSMWYFYSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615357 564426934 /nfs/dbraw/zinc/42/69/34/564426934.db2.gz LHMVQMKPXLZECR-RHSMWYFYSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615357 564426937 /nfs/dbraw/zinc/42/69/37/564426937.db2.gz LHMVQMKPXLZECR-RHSMWYFYSA-N 2 2 390.329 2.946 20 0 GFADLP O=C(C[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1)Nc1ccccc1 ZINC000545947692 564438411 /nfs/dbraw/zinc/43/84/11/564438411.db2.gz PDKXLAPEQFWSPO-UHFFFAOYSA-N 2 2 389.297 2.781 20 0 GFADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000569136868 564451124 /nfs/dbraw/zinc/45/11/24/564451124.db2.gz ZHYKYBJFPXCTKK-ZDUSSCGKSA-N 2 2 392.301 2.630 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514670416 564453470 /nfs/dbraw/zinc/45/34/70/564453470.db2.gz CVUVQYNIXYMCHE-BDJLRTHQSA-N 2 2 382.892 2.817 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514670416 564453473 /nfs/dbraw/zinc/45/34/73/564453473.db2.gz CVUVQYNIXYMCHE-BDJLRTHQSA-N 2 2 382.892 2.817 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000569254547 564455540 /nfs/dbraw/zinc/45/55/40/564455540.db2.gz PEKMMSPIPYRLTR-AWEZNQCLSA-N 2 2 382.346 2.902 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1Br ZINC000569344281 564459928 /nfs/dbraw/zinc/45/99/28/564459928.db2.gz CNPWCTPFFCCERE-ZDUSSCGKSA-N 2 2 377.286 2.908 20 0 GFADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)n1C ZINC000570528684 564511150 /nfs/dbraw/zinc/51/11/50/564511150.db2.gz IHWKERWQAWODRI-UHFFFAOYSA-N 2 2 379.302 2.617 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]cc1Br ZINC000455859601 564575994 /nfs/dbraw/zinc/57/59/94/564575994.db2.gz CZCQJGKODKGESO-CYBMUJFWSA-N 2 2 396.333 2.860 20 0 GFADLP Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c[nH+]1 ZINC000549422871 564595228 /nfs/dbraw/zinc/59/52/28/564595228.db2.gz QHEFHNDEPWLLLG-UHFFFAOYSA-N 2 2 385.892 2.683 20 0 GFADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000572876530 564614076 /nfs/dbraw/zinc/61/40/76/564614076.db2.gz KJWDKKSBTJIVNY-CQSZACIVSA-N 2 2 391.313 2.530 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC(CC[NH3+])CC3)[nH+]c12 ZINC000573257875 564629980 /nfs/dbraw/zinc/62/99/80/564629980.db2.gz OOKSGPSULJCQKH-UHFFFAOYSA-N 2 2 394.317 2.676 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000486049871 564636701 /nfs/dbraw/zinc/63/67/01/564636701.db2.gz CGESKXBNYUUVPR-CYBMUJFWSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000486049871 564636707 /nfs/dbraw/zinc/63/67/07/564636707.db2.gz CGESKXBNYUUVPR-CYBMUJFWSA-N 2 2 375.822 2.755 20 0 GFADLP Cc1ccc(CCC[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c[nH+]1 ZINC000574558343 564678816 /nfs/dbraw/zinc/67/88/16/564678816.db2.gz DHJYSCOZWCHMRL-QGZVFWFLSA-N 2 2 379.551 2.685 20 0 GFADLP Clc1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c(Cl)s1 ZINC000552378804 564688996 /nfs/dbraw/zinc/68/89/96/564688996.db2.gz PCKYLXDFOYURRK-UHFFFAOYSA-N 2 2 378.369 2.941 20 0 GFADLP C[C@H]1C[N@H+](Cc2cccc(O)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459341906 564741296 /nfs/dbraw/zinc/74/12/96/564741296.db2.gz OUOCYEBCTWHNGN-GOEBONIOSA-N 2 2 382.346 2.613 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cccc(O)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459341906 564741299 /nfs/dbraw/zinc/74/12/99/564741299.db2.gz OUOCYEBCTWHNGN-GOEBONIOSA-N 2 2 382.346 2.613 20 0 GFADLP Cc1c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)nnn1-c1cccc(Br)c1 ZINC000530513185 564885762 /nfs/dbraw/zinc/88/57/62/564885762.db2.gz PBXPUNPXWHVCGZ-GFCCVEGCSA-N 2 2 389.301 2.965 20 0 GFADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000583392572 564889031 /nfs/dbraw/zinc/88/90/31/564889031.db2.gz KFNMGFVCGXHGTR-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cccc(Br)c1 ZINC000498773784 564908948 /nfs/dbraw/zinc/90/89/48/564908948.db2.gz AJJNARSLXLQHMT-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cccc(Br)c1 ZINC000498773784 564908952 /nfs/dbraw/zinc/90/89/52/564908952.db2.gz AJJNARSLXLQHMT-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310130 564960551 /nfs/dbraw/zinc/96/05/51/564960551.db2.gz IIPLVQGMLCRKCP-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310130 564960553 /nfs/dbraw/zinc/96/05/53/564960553.db2.gz IIPLVQGMLCRKCP-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310130 564960555 /nfs/dbraw/zinc/96/05/55/564960555.db2.gz IIPLVQGMLCRKCP-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000533310130 564960557 /nfs/dbraw/zinc/96/05/57/564960557.db2.gz IIPLVQGMLCRKCP-CQSZACIVSA-N 2 2 393.329 2.621 20 0 GFADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)[NH+]1CCSCC1 ZINC000533548600 564966174 /nfs/dbraw/zinc/96/61/74/564966174.db2.gz FSXJBLFJHLJPQR-JKSUJKDBSA-N 2 2 381.973 2.983 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000503437993 565019585 /nfs/dbraw/zinc/01/95/85/565019585.db2.gz NVDACMZUBJCYHC-SFHVURJKSA-N 2 2 392.341 2.893 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)c[nH+]c12 ZINC000563135446 565056986 /nfs/dbraw/zinc/05/69/86/565056986.db2.gz MFVSIPFDTACGTR-AWEZNQCLSA-N 2 2 393.329 2.593 20 0 GFADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000584408835 565078944 /nfs/dbraw/zinc/07/89/44/565078944.db2.gz JNQPUXJPVPGZQY-SJORKVTESA-N 2 2 380.330 2.844 20 0 GFADLP C[NH+](C)CC1(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000635916853 565082013 /nfs/dbraw/zinc/08/20/13/565082013.db2.gz QNCQXJGICFWIRH-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP O=C(NCCC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Br)cc1 ZINC000657342304 565097308 /nfs/dbraw/zinc/09/73/08/565097308.db2.gz KBMFTCVLQLZJLE-UHFFFAOYSA-N 2 2 377.286 2.502 20 0 GFADLP COc1ccc(C[C@@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000657484344 565103331 /nfs/dbraw/zinc/10/33/31/565103331.db2.gz SGDDRWJDAPKGIG-CQSZACIVSA-N 2 2 394.313 2.541 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cnn2c1 ZINC000638184592 565187803 /nfs/dbraw/zinc/18/78/03/565187803.db2.gz YSDHNAWZSQETBD-SUMWQHHRSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184592 565187805 /nfs/dbraw/zinc/18/78/05/565187805.db2.gz YSDHNAWZSQETBD-SUMWQHHRSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184592 565187806 /nfs/dbraw/zinc/18/78/06/565187806.db2.gz YSDHNAWZSQETBD-SUMWQHHRSA-N 2 2 390.329 2.941 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@@H+]1Cc1ccccc1 ZINC000638720893 565208567 /nfs/dbraw/zinc/20/85/67/565208567.db2.gz LASFBOFDWMSQGT-GDBMZVCRSA-N 2 2 379.551 2.538 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000638720893 565208571 /nfs/dbraw/zinc/20/85/71/565208571.db2.gz LASFBOFDWMSQGT-GDBMZVCRSA-N 2 2 379.551 2.538 20 0 GFADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659315126 565213352 /nfs/dbraw/zinc/21/33/52/565213352.db2.gz WQEWADVFLPDSCN-SNVBAGLBSA-N 2 2 393.310 2.518 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652748 565287627 /nfs/dbraw/zinc/28/76/27/565287627.db2.gz KVCCPINXTHYDRY-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652748 565287634 /nfs/dbraw/zinc/28/76/34/565287634.db2.gz KVCCPINXTHYDRY-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652748 565287640 /nfs/dbraw/zinc/28/76/40/565287640.db2.gz KVCCPINXTHYDRY-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652748 565287648 /nfs/dbraw/zinc/28/76/48/565287648.db2.gz KVCCPINXTHYDRY-IBGZPJMESA-N 2 2 394.357 2.825 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662050472 565347724 /nfs/dbraw/zinc/34/77/24/565347724.db2.gz GIPAUFZCNYZAGA-MRXNPFEDSA-N 2 2 388.339 2.605 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662282948 565359140 /nfs/dbraw/zinc/35/91/40/565359140.db2.gz FFUMSKWTOBKMSQ-ARFHVFGLSA-N 2 2 384.318 2.714 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662282948 565359143 /nfs/dbraw/zinc/35/91/43/565359143.db2.gz FFUMSKWTOBKMSQ-ARFHVFGLSA-N 2 2 384.318 2.714 20 0 GFADLP OCC1([NH2+]Cc2cccc(OCC(F)(F)F)c2Br)CC[NH2+]CC1 ZINC000662283014 565359413 /nfs/dbraw/zinc/35/94/13/565359413.db2.gz GBCQNHCQAHRRHY-UHFFFAOYSA-N 2 2 397.235 2.594 20 0 GFADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662686097 565382182 /nfs/dbraw/zinc/38/21/82/565382182.db2.gz APSARDCNWKUSNQ-VIFPVBQESA-N 2 2 383.315 2.685 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304410 565411118 /nfs/dbraw/zinc/41/11/18/565411118.db2.gz QGBNIWBMXUFWQS-DZGCQCFKSA-N 2 2 396.329 2.619 20 0 GFADLP Cc1nc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c(C)[nH+]1 ZINC000663383819 565416407 /nfs/dbraw/zinc/41/64/07/565416407.db2.gz LBXGPALBGSRUNO-MRXNPFEDSA-N 2 2 391.313 2.687 20 0 GFADLP Cc1nc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Br)c(C)[nH+]1 ZINC000663383819 565416414 /nfs/dbraw/zinc/41/64/14/565416414.db2.gz LBXGPALBGSRUNO-MRXNPFEDSA-N 2 2 391.313 2.687 20 0 GFADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442742 565421237 /nfs/dbraw/zinc/42/12/37/565421237.db2.gz KLDXWALEIRAJDR-CQSZACIVSA-N 2 2 385.350 2.693 20 0 GFADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442742 565421240 /nfs/dbraw/zinc/42/12/40/565421240.db2.gz KLDXWALEIRAJDR-CQSZACIVSA-N 2 2 385.350 2.693 20 0 GFADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205990 565424319 /nfs/dbraw/zinc/42/43/19/565424319.db2.gz RAWDXEJYTFXSPU-RHSMWYFYSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205990 565424322 /nfs/dbraw/zinc/42/43/22/565424322.db2.gz RAWDXEJYTFXSPU-RHSMWYFYSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652353 565530902 /nfs/dbraw/zinc/53/09/02/565530902.db2.gz SMVJUOUYTHJTHP-GXFFZTMASA-N 2 2 394.684 2.801 20 0 GFADLP Cc1cc(Br)c(F)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666734033 565555010 /nfs/dbraw/zinc/55/50/10/565555010.db2.gz DXNXTRSJOTWYJQ-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1cc(Br)c(F)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666734033 565555012 /nfs/dbraw/zinc/55/50/12/565555012.db2.gz DXNXTRSJOTWYJQ-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)cc1Br ZINC000667100081 565569462 /nfs/dbraw/zinc/56/94/62/565569462.db2.gz KJKWCJFJUOAHQC-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)cc1Br ZINC000667100081 565569466 /nfs/dbraw/zinc/56/94/66/565569466.db2.gz KJKWCJFJUOAHQC-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccncc3Br)CC2)CC1 ZINC000625481602 565632958 /nfs/dbraw/zinc/63/29/58/565632958.db2.gz FKJPILSJWMAPTN-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccncc3Br)CC2)CC1 ZINC000625481602 565632964 /nfs/dbraw/zinc/63/29/64/565632964.db2.gz FKJPILSJWMAPTN-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647056162 565634585 /nfs/dbraw/zinc/63/45/85/565634585.db2.gz UZRCIRAEJFKYCW-DLBZAZTESA-N 2 2 392.341 2.844 20 0 GFADLP Cc1cccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000625520824 565635168 /nfs/dbraw/zinc/63/51/68/565635168.db2.gz YFZAGEXBEPQRKZ-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1cccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000625520824 565635172 /nfs/dbraw/zinc/63/51/72/565635172.db2.gz YFZAGEXBEPQRKZ-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672424 /nfs/dbraw/zinc/67/24/24/565672424.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672431 /nfs/dbraw/zinc/67/24/31/565672431.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672435 /nfs/dbraw/zinc/67/24/35/565672435.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672437 /nfs/dbraw/zinc/67/24/37/565672437.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 2 385.346 2.566 20 0 GFADLP COC(=O)[C@@]1([NH2+]CCn2cc[nH+]c2C)CCc2cc(Br)ccc2C1 ZINC000599595148 565691398 /nfs/dbraw/zinc/69/13/98/565691398.db2.gz SROPKNCIPLXDTK-GOSISDBHSA-N 2 2 392.297 2.644 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649322181 565758350 /nfs/dbraw/zinc/75/83/50/565758350.db2.gz DALSQDAWWABTFR-XWTMOSNGSA-N 2 2 392.341 2.510 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714589 565832708 /nfs/dbraw/zinc/83/27/08/565832708.db2.gz QCORFSSTRUKUHJ-CZUORRHYSA-N 2 2 379.302 2.635 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714589 565832714 /nfs/dbraw/zinc/83/27/14/565832714.db2.gz QCORFSSTRUKUHJ-CZUORRHYSA-N 2 2 379.302 2.635 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608166 565933835 /nfs/dbraw/zinc/93/38/35/565933835.db2.gz VEPXNXFDEDYLJE-OAHLLOKOSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608166 565933841 /nfs/dbraw/zinc/93/38/41/565933841.db2.gz VEPXNXFDEDYLJE-OAHLLOKOSA-N 2 2 391.339 2.512 20 0 GFADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccncc2Br)c2ccccc2)CC1 ZINC000631062626 565937243 /nfs/dbraw/zinc/93/72/43/565937243.db2.gz XYDHYSXSCTXCFF-LJQANCHMSA-N 2 2 389.341 2.922 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)[nH+]c12 ZINC000654529407 566012767 /nfs/dbraw/zinc/01/27/67/566012767.db2.gz IQMKHAVKLPNGQV-JNSHFYNHSA-N 2 2 394.317 2.545 20 0 GFADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678767751 566019210 /nfs/dbraw/zinc/01/92/10/566019210.db2.gz QMYMKVIEHKHQBH-SJKOYZFVSA-N 2 2 398.370 2.596 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000682899375 566175648 /nfs/dbraw/zinc/17/56/48/566175648.db2.gz GTDQFZGNCYVXIU-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000682899375 566175656 /nfs/dbraw/zinc/17/56/56/566175656.db2.gz GTDQFZGNCYVXIU-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cccc2c(NC[C@H](Cc3ccccc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410294 599122359 /nfs/dbraw/zinc/12/23/59/599122359.db2.gz QZXZOMYOLWUORS-KRWDZBQOSA-N 2 2 387.491 2.730 20 0 GFADLP CC[NH+](CC)[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccco1 ZINC000821182686 599500447 /nfs/dbraw/zinc/50/04/47/599500447.db2.gz XHPKGNAKXYJYSJ-QGZVFWFLSA-N 2 2 377.452 2.925 20 0 GFADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1C ZINC000821378627 599534532 /nfs/dbraw/zinc/53/45/32/599534532.db2.gz QLQLEFALGBQKJW-MRXNPFEDSA-N 2 2 395.511 2.579 20 0 GFADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1C ZINC000821378627 599534534 /nfs/dbraw/zinc/53/45/34/599534534.db2.gz QLQLEFALGBQKJW-MRXNPFEDSA-N 2 2 395.511 2.579 20 0 GFADLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193022 607508530 /nfs/dbraw/zinc/50/85/30/607508530.db2.gz MPYQVOHWLAHBOV-IBGZPJMESA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193022 607508532 /nfs/dbraw/zinc/50/85/32/607508532.db2.gz MPYQVOHWLAHBOV-IBGZPJMESA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193022 607508534 /nfs/dbraw/zinc/50/85/34/607508534.db2.gz MPYQVOHWLAHBOV-IBGZPJMESA-N 2 2 392.507 2.829 20 0 GFADLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826193022 607508535 /nfs/dbraw/zinc/50/85/35/607508535.db2.gz MPYQVOHWLAHBOV-IBGZPJMESA-N 2 2 392.507 2.829 20 0 GFADLP O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000833773837 605223357 /nfs/dbraw/zinc/22/33/57/605223357.db2.gz SZEYCMIAQHRGFV-QGZVFWFLSA-N 2 2 379.570 2.879 20 0 GFADLP O=C([O-])CCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000833773837 605223360 /nfs/dbraw/zinc/22/33/60/605223360.db2.gz SZEYCMIAQHRGFV-QGZVFWFLSA-N 2 2 379.570 2.879 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826167699 608367156 /nfs/dbraw/zinc/36/71/56/608367156.db2.gz NTSDSHGHQVNYJL-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000826167699 608367158 /nfs/dbraw/zinc/36/71/58/608367158.db2.gz NTSDSHGHQVNYJL-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000826167699 608367160 /nfs/dbraw/zinc/36/71/60/608367160.db2.gz NTSDSHGHQVNYJL-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000826167699 608367162 /nfs/dbraw/zinc/36/71/62/608367162.db2.gz NTSDSHGHQVNYJL-GOSISDBHSA-N 2 2 392.507 2.829 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655881 609251609 /nfs/dbraw/zinc/25/16/09/609251609.db2.gz GJEJZUICOIHDES-XJKSGUPXSA-N 2 2 396.474 2.714 20 0 GFADLP C[C@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824600392 609441131 /nfs/dbraw/zinc/44/11/31/609441131.db2.gz ZSQRCEHFVTZEDA-HNNXBMFYSA-N 2 2 375.436 2.782 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)c1C ZINC000827970888 660524787 /nfs/dbraw/zinc/52/47/87/660524787.db2.gz OQLRVLPVMQYLQQ-GOSISDBHSA-N 2 2 392.297 2.960 20 0 GFADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccncc3Br)[nH+]c2)C1 ZINC000631098436 652519966 /nfs/dbraw/zinc/51/99/66/652519966.db2.gz OVWFHBWAEFBXDA-OAHLLOKOSA-N 2 2 376.302 2.992 20 0 GFADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000267006520 654904259 /nfs/dbraw/zinc/90/42/59/654904259.db2.gz MQLARIKZPQUECX-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000267006520 654904260 /nfs/dbraw/zinc/90/42/60/654904260.db2.gz MQLARIKZPQUECX-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000270676872 655052543 /nfs/dbraw/zinc/05/25/43/655052543.db2.gz TXJXMVCPKRTNEC-UHFFFAOYSA-N 2 2 391.313 2.802 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938371 661064178 /nfs/dbraw/zinc/06/41/78/661064178.db2.gz FHPYBEFUNXEMHP-ZIAGYGMSSA-N 2 2 385.302 2.506 20 0 GFADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(Br)c1O ZINC000838938371 661064180 /nfs/dbraw/zinc/06/41/80/661064180.db2.gz FHPYBEFUNXEMHP-ZIAGYGMSSA-N 2 2 385.302 2.506 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991420 655297044 /nfs/dbraw/zinc/29/70/44/655297044.db2.gz WIVWQISDJROOBR-NSHDSACASA-N 2 2 380.739 2.593 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991420 655297048 /nfs/dbraw/zinc/29/70/48/655297048.db2.gz WIVWQISDJROOBR-NSHDSACASA-N 2 2 380.739 2.593 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000574904636 655433349 /nfs/dbraw/zinc/43/33/49/655433349.db2.gz QKSDANKEMUZEQJ-QGZVFWFLSA-N 2 2 393.329 2.720 20 0 GFADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000841099777 661233121 /nfs/dbraw/zinc/23/31/21/661233121.db2.gz OUEDLDHWSSDBLG-PBHICJAKSA-N 2 2 393.329 2.815 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912383 661448883 /nfs/dbraw/zinc/44/88/83/661448883.db2.gz SZAPWYGJDYUWBY-KBMXLJTQSA-N 2 2 393.329 2.958 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912383 661448890 /nfs/dbraw/zinc/44/88/90/661448890.db2.gz SZAPWYGJDYUWBY-KBMXLJTQSA-N 2 2 393.329 2.958 20 0 GFADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000846218525 661538732 /nfs/dbraw/zinc/53/87/32/661538732.db2.gz WTDPWSQMXKOKNR-UHFFFAOYSA-N 2 2 394.368 2.819 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544622 662336311 /nfs/dbraw/zinc/33/63/11/662336311.db2.gz ZHEIUAHRBAMDEM-WMZOPIPTSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544622 662336313 /nfs/dbraw/zinc/33/63/13/662336313.db2.gz ZHEIUAHRBAMDEM-WMZOPIPTSA-N 2 2 378.314 2.778 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861328 662703854 /nfs/dbraw/zinc/70/38/54/662703854.db2.gz QIXRBDRYWPCISA-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])c3cccc(Br)c3)sc2C1 ZINC000870861328 662703857 /nfs/dbraw/zinc/70/38/57/662703857.db2.gz QIXRBDRYWPCISA-CQSZACIVSA-N 2 2 395.326 2.922 20 0 GFADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C(F)(F)F ZINC000893099460 663396550 /nfs/dbraw/zinc/39/65/50/663396550.db2.gz YZURSBSMDJDREJ-KNCOVGOOSA-N 2 2 382.492 2.924 20 0 GFADLP CC(C)CC[NH+]1CCC([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978389 663628318 /nfs/dbraw/zinc/62/83/18/663628318.db2.gz OJASIILDXBOHDH-MRXNPFEDSA-N 2 2 395.345 2.807 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000905292974 663864521 /nfs/dbraw/zinc/86/45/21/663864521.db2.gz BORYMSQSZZFEBZ-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP Cc1ccc(NC(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(Br)c1 ZINC000923459083 664630906 /nfs/dbraw/zinc/63/09/06/664630906.db2.gz ZGQDYFNMYJENGE-CQSZACIVSA-N 2 2 396.329 2.526 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809070 720140570 /nfs/dbraw/zinc/14/05/70/720140570.db2.gz GQLFEXYUHAFZKT-KNQAVFIVSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809070 720140575 /nfs/dbraw/zinc/14/05/75/720140575.db2.gz GQLFEXYUHAFZKT-KNQAVFIVSA-N 2 2 385.556 2.652 20 0 GFADLP Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C(C)C)[nH+]1 ZINC001164813402 720236096 /nfs/dbraw/zinc/23/60/96/720236096.db2.gz NXOOVRJDLAVXOO-UHFFFAOYSA-N 2 2 384.528 2.716 20 0 GFADLP Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C(C)C)[nH+]1 ZINC001164813402 720236114 /nfs/dbraw/zinc/23/61/14/720236114.db2.gz NXOOVRJDLAVXOO-UHFFFAOYSA-N 2 2 384.528 2.716 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743134 720846354 /nfs/dbraw/zinc/84/63/54/720846354.db2.gz IWYMRSPUATWULY-HSALFYBXSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743134 720846356 /nfs/dbraw/zinc/84/63/56/720846356.db2.gz IWYMRSPUATWULY-HSALFYBXSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743135 720846536 /nfs/dbraw/zinc/84/65/36/720846536.db2.gz IWYMRSPUATWULY-SLFFLAALSA-N 2 2 395.555 2.879 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C(C)C)[nH+]1 ZINC001164743135 720846541 /nfs/dbraw/zinc/84/65/41/720846541.db2.gz IWYMRSPUATWULY-SLFFLAALSA-N 2 2 395.555 2.879 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123301038 551305160 /nfs/dbraw/zinc/30/51/60/551305160.db2.gz VFAKPWXXJNMKOH-HOCLYGCPSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123301038 551305161 /nfs/dbraw/zinc/30/51/61/551305161.db2.gz VFAKPWXXJNMKOH-HOCLYGCPSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123301038 551305162 /nfs/dbraw/zinc/30/51/62/551305162.db2.gz VFAKPWXXJNMKOH-HOCLYGCPSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC[NH+]1C ZINC000123301038 551305163 /nfs/dbraw/zinc/30/51/63/551305163.db2.gz VFAKPWXXJNMKOH-HOCLYGCPSA-N 2 2 382.346 2.822 20 0 GFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000159297806 551562944 /nfs/dbraw/zinc/56/29/44/551562944.db2.gz UCYYARWGJWEXGU-LBPRGKRZSA-N 2 2 376.469 2.826 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000181028896 552242887 /nfs/dbraw/zinc/24/28/87/552242887.db2.gz CJOJDGIJHABSNH-NWDGAFQWSA-N 2 2 392.352 2.639 20 0 GFADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000186755330 552396949 /nfs/dbraw/zinc/39/69/49/552396949.db2.gz YGJVTLJSOWRETE-ZDUSSCGKSA-N 2 2 388.339 2.871 20 0 GFADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773432 552973609 /nfs/dbraw/zinc/97/36/09/552973609.db2.gz JLXSMRZKZSEHDS-MRXNPFEDSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192773432 552973610 /nfs/dbraw/zinc/97/36/10/552973610.db2.gz JLXSMRZKZSEHDS-MRXNPFEDSA-N 2 2 386.367 2.874 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c(Cl)s1 ZINC000262093847 553166071 /nfs/dbraw/zinc/16/60/71/553166071.db2.gz UZLMMCYIANCTDI-JTQLQIEISA-N 2 2 394.766 2.984 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(Cl)s1 ZINC000262093847 553166074 /nfs/dbraw/zinc/16/60/74/553166074.db2.gz UZLMMCYIANCTDI-JTQLQIEISA-N 2 2 394.766 2.984 20 0 GFADLP O=C(C[NH+]1CCC([NH2+]Cc2cscc2Br)CC1)N1CCCC1 ZINC000367540301 563847820 /nfs/dbraw/zinc/84/78/20/563847820.db2.gz KJUIDHAFCMOXGU-UHFFFAOYSA-N 2 2 386.359 2.687 20 0 GFADLP CC[C@H]([NH3+])CN[C@@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423480499 563361304 /nfs/dbraw/zinc/36/13/04/563361304.db2.gz WDPMGSKDNIPZGZ-LSDHHAIUSA-N 2 2 398.292 2.924 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000419736224 563248802 /nfs/dbraw/zinc/24/88/02/563248802.db2.gz WXPATKPATRUWCW-AWEZNQCLSA-N 2 2 378.318 2.617 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370697767 563252452 /nfs/dbraw/zinc/25/24/52/563252452.db2.gz MHKAHRGGHVYDRY-KDOFPFPSSA-N 2 2 382.346 2.613 20 0 GFADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370710616 563253124 /nfs/dbraw/zinc/25/31/24/563253124.db2.gz UKWTUKHLHZWHPF-HNAYVOBHSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370710616 563253126 /nfs/dbraw/zinc/25/31/26/563253126.db2.gz UKWTUKHLHZWHPF-HNAYVOBHSA-N 2 2 396.373 2.916 20 0 GFADLP CN(C(=O)c1ccccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821140 563256389 /nfs/dbraw/zinc/25/63/89/563256389.db2.gz SRRQQKXXICPWAH-HNNXBMFYSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1ccccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821140 563256391 /nfs/dbraw/zinc/25/63/91/563256391.db2.gz SRRQQKXXICPWAH-HNNXBMFYSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374704 563262602 /nfs/dbraw/zinc/26/26/02/563262602.db2.gz SFBUAOUIIKFHSJ-QDEZUTFSSA-N 2 2 382.346 2.772 20 0 GFADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000278587621 563262758 /nfs/dbraw/zinc/26/27/58/563262758.db2.gz HWIKLNYNYCPQDV-AWEZNQCLSA-N 2 2 393.329 2.782 20 0 GFADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000278587621 563262761 /nfs/dbraw/zinc/26/27/61/563262761.db2.gz HWIKLNYNYCPQDV-AWEZNQCLSA-N 2 2 393.329 2.782 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415699 563263917 /nfs/dbraw/zinc/26/39/17/563263917.db2.gz VCGIWYVRRNQLJX-OCCSQVGLSA-N 2 2 379.302 2.840 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000420415699 563263920 /nfs/dbraw/zinc/26/39/20/563263920.db2.gz VCGIWYVRRNQLJX-OCCSQVGLSA-N 2 2 379.302 2.840 20 0 GFADLP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000371980607 563292576 /nfs/dbraw/zinc/29/25/76/563292576.db2.gz ZTTHQYXYECAWGA-HOTGVXAUSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000371980607 563292582 /nfs/dbraw/zinc/29/25/82/563292582.db2.gz ZTTHQYXYECAWGA-HOTGVXAUSA-N 2 2 385.599 2.611 20 0 GFADLP Brc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422950716 563351532 /nfs/dbraw/zinc/35/15/32/563351532.db2.gz WONTVTWSVDUQHQ-NIKGAXFTSA-N 2 2 394.357 2.632 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000422994020 563352438 /nfs/dbraw/zinc/35/24/38/563352438.db2.gz UOCVBPVLOSULLY-PBHICJAKSA-N 2 2 382.346 2.906 20 0 GFADLP Brc1cccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)c21 ZINC000423121189 563356398 /nfs/dbraw/zinc/35/63/98/563356398.db2.gz IDZZYZGWSOLTAF-WMZOPIPTSA-N 2 2 378.314 2.830 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)oc3C)CC2)CC1 ZINC000424892242 563396120 /nfs/dbraw/zinc/39/61/20/563396120.db2.gz NOAKBVIWQLUIOG-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)oc3C)CC2)CC1 ZINC000424892242 563396124 /nfs/dbraw/zinc/39/61/24/563396124.db2.gz NOAKBVIWQLUIOG-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338522 563400775 /nfs/dbraw/zinc/40/07/75/563400775.db2.gz RPRSPQDCTWDWTN-KRWDZBQOSA-N 2 2 396.373 2.850 20 0 GFADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375338522 563400778 /nfs/dbraw/zinc/40/07/78/563400778.db2.gz RPRSPQDCTWDWTN-KRWDZBQOSA-N 2 2 396.373 2.850 20 0 GFADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000425347758 563419019 /nfs/dbraw/zinc/41/90/19/563419019.db2.gz IHFNXCRRWXXTEY-UHFFFAOYSA-N 2 2 381.318 2.639 20 0 GFADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435915 563422472 /nfs/dbraw/zinc/42/24/72/563422472.db2.gz UVDDTVFSAISDKN-RDJZCZTQSA-N 2 2 387.615 2.989 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691462 563483092 /nfs/dbraw/zinc/48/30/92/563483092.db2.gz AAUVBFKIHSBYNA-CHWSQXEVSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691462 563483094 /nfs/dbraw/zinc/48/30/94/563483094.db2.gz AAUVBFKIHSBYNA-CHWSQXEVSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691462 563483099 /nfs/dbraw/zinc/48/30/99/563483099.db2.gz AAUVBFKIHSBYNA-CHWSQXEVSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691462 563483102 /nfs/dbraw/zinc/48/31/02/563483102.db2.gz AAUVBFKIHSBYNA-CHWSQXEVSA-N 2 2 377.476 2.902 20 0 GFADLP Cc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000285410837 563519592 /nfs/dbraw/zinc/51/95/92/563519592.db2.gz FVRLPLUIPHDEST-AYHJJNSGSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000285410837 563519595 /nfs/dbraw/zinc/51/95/95/563519595.db2.gz FVRLPLUIPHDEST-AYHJJNSGSA-N 2 2 394.357 2.931 20 0 GFADLP O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431159481 563554900 /nfs/dbraw/zinc/55/49/00/563554900.db2.gz OWVKFOQQHYIEBA-QAPCUYQASA-N 2 2 393.281 2.737 20 0 GFADLP O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431159481 563554902 /nfs/dbraw/zinc/55/49/02/563554902.db2.gz OWVKFOQQHYIEBA-QAPCUYQASA-N 2 2 393.281 2.737 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]cc1Br ZINC000333278853 563626646 /nfs/dbraw/zinc/62/66/46/563626646.db2.gz HFMLWBGGFXAEBT-CYBMUJFWSA-N 2 2 396.333 2.764 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@@H]3CCC[NH2+]CC3)[nH+]c12 ZINC000333738070 563640633 /nfs/dbraw/zinc/64/06/33/563640633.db2.gz INEKKBRHVRWCMJ-OAHLLOKOSA-N 2 2 394.317 2.689 20 0 GFADLP COCCC[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289860872 563689469 /nfs/dbraw/zinc/68/94/69/563689469.db2.gz LEXWNVQVRWMZFF-UHFFFAOYSA-N 2 2 381.318 2.687 20 0 GFADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019416 563695358 /nfs/dbraw/zinc/69/53/58/563695358.db2.gz ZWVNFPDSULOCDN-RDTXWAMCSA-N 2 2 384.362 2.990 20 0 GFADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C(C)C)c(Br)c1 ZINC000290019416 563695362 /nfs/dbraw/zinc/69/53/62/563695362.db2.gz ZWVNFPDSULOCDN-RDTXWAMCSA-N 2 2 384.362 2.990 20 0 GFADLP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616623 563730016 /nfs/dbraw/zinc/73/00/16/563730016.db2.gz SKPWFSFXLKAZQN-QZTJIDSGSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616623 563730021 /nfs/dbraw/zinc/73/00/21/563730021.db2.gz SKPWFSFXLKAZQN-QZTJIDSGSA-N 2 2 379.595 2.752 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(Cl)ccc3Cl)CC2)CC1 ZINC000364083096 563742452 /nfs/dbraw/zinc/74/24/52/563742452.db2.gz SPQWWQUAULKJQK-UHFFFAOYSA-N 2 2 385.339 2.765 20 0 GFADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc(I)c1OC ZINC000415046780 563756951 /nfs/dbraw/zinc/75/69/51/563756951.db2.gz VNMXHAROVDYTGY-CYBMUJFWSA-N 2 2 390.265 2.539 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137338 563760472 /nfs/dbraw/zinc/76/04/72/563760472.db2.gz IUWNCXOJNZCRGX-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137338 563760473 /nfs/dbraw/zinc/76/04/73/563760473.db2.gz IUWNCXOJNZCRGX-DLBZAZTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137341 563760637 /nfs/dbraw/zinc/76/06/37/563760637.db2.gz IUWNCXOJNZCRGX-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415137341 563760639 /nfs/dbraw/zinc/76/06/39/563760639.db2.gz IUWNCXOJNZCRGX-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP Cc1nn(C)c(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000366169141 563800677 /nfs/dbraw/zinc/80/06/77/563800677.db2.gz HHXQBOPRAXVSRY-UHFFFAOYSA-N 2 2 378.318 2.987 20 0 GFADLP Cc1nn(C)c(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000366169141 563800679 /nfs/dbraw/zinc/80/06/79/563800679.db2.gz HHXQBOPRAXVSRY-UHFFFAOYSA-N 2 2 378.318 2.987 20 0 GFADLP C[NH+]1CCC2(CCC[N@@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863911 563822789 /nfs/dbraw/zinc/82/27/89/563822789.db2.gz ICBSRJRJRQOING-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+]1CCC2(CCC[N@H+]([C@@H](C(N)=O)c3cccc(Br)c3)C2)CC1 ZINC000366863911 563822792 /nfs/dbraw/zinc/82/27/92/563822792.db2.gz ICBSRJRJRQOING-MRXNPFEDSA-N 2 2 380.330 2.783 20 0 GFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103594 563863875 /nfs/dbraw/zinc/86/38/75/563863875.db2.gz XEQZJBOHQIDAIK-IUCAKERBSA-N 2 2 389.308 2.572 20 0 GFADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103594 563863877 /nfs/dbraw/zinc/86/38/77/563863877.db2.gz XEQZJBOHQIDAIK-IUCAKERBSA-N 2 2 389.308 2.572 20 0 GFADLP CC(C)(CNc1cc[nH+]c2ccc(Br)cc12)[NH+]1CCS(=O)CC1 ZINC000446855927 563869754 /nfs/dbraw/zinc/86/97/54/563869754.db2.gz LLJBZWBMONVOKE-UHFFFAOYSA-N 2 2 396.354 2.674 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963287 563882983 /nfs/dbraw/zinc/88/29/83/563882983.db2.gz AKPRAAGGGVNKDR-IAQYHMDHSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963287 563882986 /nfs/dbraw/zinc/88/29/86/563882986.db2.gz AKPRAAGGGVNKDR-IAQYHMDHSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963286 563883108 /nfs/dbraw/zinc/88/31/08/563883108.db2.gz AKPRAAGGGVNKDR-ABAIWWIYSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)n1 ZINC000368963286 563883110 /nfs/dbraw/zinc/88/31/10/563883110.db2.gz AKPRAAGGGVNKDR-ABAIWWIYSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418015887 563895661 /nfs/dbraw/zinc/89/56/61/563895661.db2.gz FGKVRRYVIWMWMN-YPMHNXCESA-N 2 2 394.317 2.532 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)[nH+]c12 ZINC000418027765 563895852 /nfs/dbraw/zinc/89/58/52/563895852.db2.gz XJUOQLVVHAXLDX-STQMWFEESA-N 2 2 394.317 2.674 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121586 563906816 /nfs/dbraw/zinc/90/68/16/563906816.db2.gz ICIFOKSIHSKYBQ-AJUCZRQESA-N 2 2 398.320 2.764 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449121586 563906818 /nfs/dbraw/zinc/90/68/18/563906818.db2.gz ICIFOKSIHSKYBQ-AJUCZRQESA-N 2 2 398.320 2.764 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449598936 564191201 /nfs/dbraw/zinc/19/12/01/564191201.db2.gz JMXLZKCOBMUXIX-KBMXLJTQSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449598936 564191204 /nfs/dbraw/zinc/19/12/04/564191204.db2.gz JMXLZKCOBMUXIX-KBMXLJTQSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449685880 564197078 /nfs/dbraw/zinc/19/70/78/564197078.db2.gz WJVGRFCSDGSSLH-KEYYUXOJSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449685880 564197082 /nfs/dbraw/zinc/19/70/82/564197082.db2.gz WJVGRFCSDGSSLH-KEYYUXOJSA-N 2 2 397.357 2.824 20 0 GFADLP Cc1ccc(CCCNc2cc(N3CCOCC3)c(Br)c[nH+]2)c[nH+]1 ZINC000449764625 564200921 /nfs/dbraw/zinc/20/09/21/564200921.db2.gz COKZZTLUKIKHGQ-UHFFFAOYSA-N 2 2 391.313 3.429 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800755 564207912 /nfs/dbraw/zinc/20/79/12/564207912.db2.gz IBUMZBZTXGVRPL-OHRKKDJYSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800755 564207915 /nfs/dbraw/zinc/20/79/15/564207915.db2.gz IBUMZBZTXGVRPL-OHRKKDJYSA-N 2 2 395.345 2.578 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1O ZINC000539840886 564229534 /nfs/dbraw/zinc/22/95/34/564229534.db2.gz LBALTRNPQGFSKS-AWEZNQCLSA-N 2 2 398.345 2.643 20 0 GFADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1O ZINC000539840886 564229540 /nfs/dbraw/zinc/22/95/40/564229540.db2.gz LBALTRNPQGFSKS-AWEZNQCLSA-N 2 2 398.345 2.643 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000540066497 564239092 /nfs/dbraw/zinc/23/90/92/564239092.db2.gz FTGRDZJFHBCGFM-UHFFFAOYSA-N 2 2 380.330 2.582 20 0 GFADLP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103562 564309491 /nfs/dbraw/zinc/30/94/91/564309491.db2.gz ADEWECOGTPBOQT-AWEZNQCLSA-N 2 2 394.292 2.950 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566230181 564318272 /nfs/dbraw/zinc/31/82/72/564318272.db2.gz PHNFYAWGJLZRQS-HOCLYGCPSA-N 2 2 383.330 2.906 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566230181 564318275 /nfs/dbraw/zinc/31/82/75/564318275.db2.gz PHNFYAWGJLZRQS-HOCLYGCPSA-N 2 2 383.330 2.906 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451567103 564326595 /nfs/dbraw/zinc/32/65/95/564326595.db2.gz KOZSKJSBSVLLGG-MRXNPFEDSA-N 2 2 394.357 2.839 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451567103 564326601 /nfs/dbraw/zinc/32/66/01/564326601.db2.gz KOZSKJSBSVLLGG-MRXNPFEDSA-N 2 2 394.357 2.839 20 0 GFADLP Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567865578 564393386 /nfs/dbraw/zinc/39/33/86/564393386.db2.gz ZQNLULIBHBGFAW-LBPRGKRZSA-N 2 2 376.448 2.756 20 0 GFADLP Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567865578 564393389 /nfs/dbraw/zinc/39/33/89/564393389.db2.gz ZQNLULIBHBGFAW-LBPRGKRZSA-N 2 2 376.448 2.756 20 0 GFADLP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000568046792 564402425 /nfs/dbraw/zinc/40/24/25/564402425.db2.gz INUKKWRDSKBBRL-GOSISDBHSA-N 2 2 379.595 2.610 20 0 GFADLP C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279538 564452246 /nfs/dbraw/zinc/45/22/46/564452246.db2.gz FWHDYVJHBFZQKC-ZIAGYGMSSA-N 2 2 377.501 2.611 20 0 GFADLP C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000453313826 564453095 /nfs/dbraw/zinc/45/30/95/564453095.db2.gz XEFFYWGWAJAJLV-CYBMUJFWSA-N 2 2 381.318 2.974 20 0 GFADLP C[N@H+]1CC=C(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176431 564462505 /nfs/dbraw/zinc/46/25/05/564462505.db2.gz DIMOORJTWOTYMD-HNNXBMFYSA-N 2 2 385.327 2.519 20 0 GFADLP C[N@@H+]1CC=C(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176431 564462506 /nfs/dbraw/zinc/46/25/06/564462506.db2.gz DIMOORJTWOTYMD-HNNXBMFYSA-N 2 2 385.327 2.519 20 0 GFADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1I ZINC000515864870 564489248 /nfs/dbraw/zinc/48/92/48/564489248.db2.gz PJVDMNVXXBWCLO-XJKSGUPXSA-N 2 2 388.293 2.741 20 0 GFADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccccc1I ZINC000515864870 564489250 /nfs/dbraw/zinc/48/92/50/564489250.db2.gz PJVDMNVXXBWCLO-XJKSGUPXSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000515864870 564489252 /nfs/dbraw/zinc/48/92/52/564489252.db2.gz PJVDMNVXXBWCLO-XJKSGUPXSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000515864870 564489256 /nfs/dbraw/zinc/48/92/56/564489256.db2.gz PJVDMNVXXBWCLO-XJKSGUPXSA-N 2 2 388.293 2.741 20 0 GFADLP CN(C)c1cc(NC(=O)N(C)CCC[NH+]2CCCC2)[nH+]cc1Br ZINC000455858754 564575660 /nfs/dbraw/zinc/57/56/60/564575660.db2.gz CMNNSYQHOFOKHY-UHFFFAOYSA-N 2 2 384.322 2.860 20 0 GFADLP Cc1[nH+]ccn1CCCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455872657 564577929 /nfs/dbraw/zinc/57/79/29/564577929.db2.gz WIBMOAVJJSGLMX-UHFFFAOYSA-N 2 2 381.278 2.627 20 0 GFADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238105 564618321 /nfs/dbraw/zinc/61/83/21/564618321.db2.gz RSCJHNMLJKYJGI-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238105 564618326 /nfs/dbraw/zinc/61/83/26/564618326.db2.gz RSCJHNMLJKYJGI-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238105 564618328 /nfs/dbraw/zinc/61/83/28/564618328.db2.gz RSCJHNMLJKYJGI-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238105 564618332 /nfs/dbraw/zinc/61/83/32/564618332.db2.gz RSCJHNMLJKYJGI-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP Cc1ccc(Br)c(C)c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000551412963 564648990 /nfs/dbraw/zinc/64/89/90/564648990.db2.gz URJHRIJEIZWUON-UHFFFAOYSA-N 2 2 382.346 2.822 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000552691134 564698275 /nfs/dbraw/zinc/69/82/75/564698275.db2.gz GGXXGUNZBVDLRI-SFHVURJKSA-N 2 2 381.973 2.730 20 0 GFADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000552691134 564698279 /nfs/dbraw/zinc/69/82/79/564698279.db2.gz GGXXGUNZBVDLRI-SFHVURJKSA-N 2 2 381.973 2.730 20 0 GFADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000576225557 564708140 /nfs/dbraw/zinc/70/81/40/564708140.db2.gz TUJJKEPLCLLNSD-DLBZAZTESA-N 2 2 380.330 2.796 20 0 GFADLP O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793581 564760739 /nfs/dbraw/zinc/76/07/39/564760739.db2.gz LEPDJBUVPMDBIQ-MPGHIAIKSA-N 2 2 379.957 2.783 20 0 GFADLP O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000459793581 564760741 /nfs/dbraw/zinc/76/07/41/564760741.db2.gz LEPDJBUVPMDBIQ-MPGHIAIKSA-N 2 2 379.957 2.783 20 0 GFADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)COc1ccc(Br)cc1 ZINC000581066667 564785861 /nfs/dbraw/zinc/78/58/61/564785861.db2.gz HZTUHHFNOSVZCR-HNNXBMFYSA-N 2 2 380.286 2.676 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631965 564836378 /nfs/dbraw/zinc/83/63/78/564836378.db2.gz KLDFUNOTZHKZNR-DYVFJYSZSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631965 564836384 /nfs/dbraw/zinc/83/63/84/564836384.db2.gz KLDFUNOTZHKZNR-DYVFJYSZSA-N 2 2 380.330 2.641 20 0 GFADLP Cc1[nH+]c[nH]c1CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557422926 564862873 /nfs/dbraw/zinc/86/28/73/564862873.db2.gz ZMSZEVZKEZJZAK-UHFFFAOYSA-N 2 2 392.257 2.542 20 0 GFADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Br)cc1 ZINC000583258278 564883387 /nfs/dbraw/zinc/88/33/87/564883387.db2.gz QEEQWHVYVNGQKL-MRXNPFEDSA-N 2 2 394.313 2.554 20 0 GFADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532987720 564951794 /nfs/dbraw/zinc/95/17/94/564951794.db2.gz FHSPMWCGCXWKRG-UHFFFAOYSA-N 2 2 393.329 2.763 20 0 GFADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000532987720 564951799 /nfs/dbraw/zinc/95/17/99/564951799.db2.gz FHSPMWCGCXWKRG-UHFFFAOYSA-N 2 2 393.329 2.763 20 0 GFADLP O=C1CCCN1CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000560477913 564964760 /nfs/dbraw/zinc/96/47/60/564964760.db2.gz PFCZYSTZDSMEEQ-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP O=C1CCCN1CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000560477913 564964763 /nfs/dbraw/zinc/96/47/63/564964763.db2.gz PFCZYSTZDSMEEQ-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP CC(C)C[C@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)C(=O)NCC[NH+](C)C ZINC000467746549 564971001 /nfs/dbraw/zinc/97/10/01/564971001.db2.gz JMSCAWYVHDXBMM-RYUDHWBXSA-N 2 2 380.480 2.905 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000503437992 565019154 /nfs/dbraw/zinc/01/91/54/565019154.db2.gz NVDACMZUBJCYHC-GOSISDBHSA-N 2 2 392.341 2.893 20 0 GFADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2c(F)cncc2Br)ccn1 ZINC000657422519 565099761 /nfs/dbraw/zinc/09/97/61/565099761.db2.gz WOPXBHCTQLZGHS-UHFFFAOYSA-N 2 2 383.265 2.608 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(OC)c1 ZINC000657750135 565126440 /nfs/dbraw/zinc/12/64/40/565126440.db2.gz AYCKVWWDANIMOJ-CQSZACIVSA-N 2 2 399.329 2.809 20 0 GFADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnn2c1 ZINC000638738335 565209135 /nfs/dbraw/zinc/20/91/35/565209135.db2.gz ZQZSNRSTAWDZBG-UHFFFAOYSA-N 2 2 378.318 2.988 20 0 GFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659284830 565210634 /nfs/dbraw/zinc/21/06/34/565210634.db2.gz HWOWFXOERKOOCO-MNOVXSKESA-N 2 2 384.343 2.813 20 0 GFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659284830 565210637 /nfs/dbraw/zinc/21/06/37/565210637.db2.gz HWOWFXOERKOOCO-MNOVXSKESA-N 2 2 384.343 2.813 20 0 GFADLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(I)c1OC ZINC000591275690 565221252 /nfs/dbraw/zinc/22/12/52/565221252.db2.gz ZJWBGOPISOGTJI-LBPRGKRZSA-N 2 2 390.265 2.540 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660115992 565254616 /nfs/dbraw/zinc/25/46/16/565254616.db2.gz FXFUITCQZWINQA-OWCLPIDISA-N 2 2 384.318 2.536 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660115992 565254623 /nfs/dbraw/zinc/25/46/23/565254623.db2.gz FXFUITCQZWINQA-OWCLPIDISA-N 2 2 384.318 2.536 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cscc2Br)CC1 ZINC000640192981 565287436 /nfs/dbraw/zinc/28/74/36/565287436.db2.gz QWBOGYKPTXDTER-UHFFFAOYSA-N 2 2 375.336 2.658 20 0 GFADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288318 /nfs/dbraw/zinc/28/83/18/565288318.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288319 /nfs/dbraw/zinc/28/83/19/565288319.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288321 /nfs/dbraw/zinc/28/83/21/565288321.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288324 /nfs/dbraw/zinc/28/83/24/565288324.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 2 392.341 2.972 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641424561 565371410 /nfs/dbraw/zinc/37/14/10/565371410.db2.gz KRNUZRNLCWPWFF-XJKSGUPXSA-N 2 2 383.334 2.575 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000641785770 565399528 /nfs/dbraw/zinc/39/95/28/565399528.db2.gz DTCVSUIIEBINHZ-SJORKVTESA-N 2 2 396.373 2.896 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862040 565401068 /nfs/dbraw/zinc/40/10/68/565401068.db2.gz IHHBDHIELIJAMH-CWIOURORSA-N 2 2 395.345 2.742 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2cc(Br)ccc21 ZINC000643548865 565435612 /nfs/dbraw/zinc/43/56/12/565435612.db2.gz WIJIVGWJXKOSFP-UKRRQHHQSA-N 2 2 399.354 2.932 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000663819832 565437003 /nfs/dbraw/zinc/43/70/03/565437003.db2.gz HXUPTDBCURAPFQ-UHFFFAOYSA-N 2 2 383.949 2.632 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000663819832 565437009 /nfs/dbraw/zinc/43/70/09/565437009.db2.gz HXUPTDBCURAPFQ-UHFFFAOYSA-N 2 2 383.949 2.632 20 0 GFADLP C[C@H](CCNc1nc[nH+]c(NCC[C@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246506 565456490 /nfs/dbraw/zinc/45/64/90/565456490.db2.gz VQPQSUIQVPFXKR-BETUJISGSA-N 3 2 387.370 2.743 20 0 GFADLP C[C@H](CCNc1[nH+]cnc(NCC[C@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246506 565456493 /nfs/dbraw/zinc/45/64/93/565456493.db2.gz VQPQSUIQVPFXKR-BETUJISGSA-N 3 2 387.370 2.743 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000666836118 565559303 /nfs/dbraw/zinc/55/93/03/565559303.db2.gz FKDPBOPHMMVPGX-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(F)cc(F)cc1Br ZINC000666836118 565559306 /nfs/dbraw/zinc/55/93/06/565559306.db2.gz FKDPBOPHMMVPGX-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000668785676 565665539 /nfs/dbraw/zinc/66/55/39/565665539.db2.gz UXYBJKUFMFFNEI-INIZCTEOSA-N 2 2 381.318 2.639 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477194 565940250 /nfs/dbraw/zinc/94/02/50/565940250.db2.gz FJGNMHPLGMVXGS-INIZCTEOSA-N 2 2 391.313 2.941 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477194 565940257 /nfs/dbraw/zinc/94/02/57/565940257.db2.gz FJGNMHPLGMVXGS-INIZCTEOSA-N 2 2 391.313 2.941 20 0 GFADLP FC(F)(F)[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](C(F)(F)F)C2)CCO1 ZINC000607153861 565979551 /nfs/dbraw/zinc/97/95/51/565979551.db2.gz BXWCYZFNHBKIAJ-STQMWFEESA-N 2 2 378.357 2.683 20 0 GFADLP FC(F)(F)[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](C(F)(F)F)C2)CCO1 ZINC000607153861 565979555 /nfs/dbraw/zinc/97/95/55/565979555.db2.gz BXWCYZFNHBKIAJ-STQMWFEESA-N 2 2 378.357 2.683 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007354 565993638 /nfs/dbraw/zinc/99/36/38/565993638.db2.gz WANGQCITKHBFAT-WMLDXEAASA-N 2 2 394.357 2.837 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007354 565993642 /nfs/dbraw/zinc/99/36/42/565993642.db2.gz WANGQCITKHBFAT-WMLDXEAASA-N 2 2 394.357 2.837 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000679832843 566055415 /nfs/dbraw/zinc/05/54/15/566055415.db2.gz TXTBYQQIPYWCSJ-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000679832843 566055422 /nfs/dbraw/zinc/05/54/22/566055422.db2.gz TXTBYQQIPYWCSJ-MOPGFXCFSA-N 2 2 393.325 2.565 20 0 GFADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Nc1ccc(Br)cc1 ZINC000655701040 566082971 /nfs/dbraw/zinc/08/29/71/566082971.db2.gz PLKTZLAEEQSQTR-KRWDZBQOSA-N 2 2 396.329 2.621 20 0 GFADLP Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680867261 566086482 /nfs/dbraw/zinc/08/64/82/566086482.db2.gz DFLSZCCUEPSQCA-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680867261 566086484 /nfs/dbraw/zinc/08/64/84/566086484.db2.gz DFLSZCCUEPSQCA-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Ic1ccc(-c2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000611136036 566117231 /nfs/dbraw/zinc/11/72/31/566117231.db2.gz KHSKRVAHVGNTCD-CHWSQXEVSA-N 2 2 395.244 2.597 20 0 GFADLP Fc1cc2c(cc1Br)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000656259274 566119465 /nfs/dbraw/zinc/11/94/65/566119465.db2.gz CMMCYEFAKRSRMH-LRDDRELGSA-N 2 2 385.277 2.865 20 0 GFADLP CN(Cc1cccc(O)c1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656617896 566146643 /nfs/dbraw/zinc/14/66/43/566146643.db2.gz JVKSSMVTLBTNSD-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP CN(Cc1cccc(O)c1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656617896 566146652 /nfs/dbraw/zinc/14/66/52/566146652.db2.gz JVKSSMVTLBTNSD-MRXNPFEDSA-N 2 2 382.346 2.755 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000682899377 566175247 /nfs/dbraw/zinc/17/52/47/566175247.db2.gz GTDQFZGNCYVXIU-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC000682899377 566175249 /nfs/dbraw/zinc/17/52/49/566175249.db2.gz GTDQFZGNCYVXIU-OAHLLOKOSA-N 2 2 394.357 2.964 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823792010 607470902 /nfs/dbraw/zinc/47/09/02/607470902.db2.gz MMIRHEYNYMQDLQ-IFXJQAMLSA-N 2 2 375.480 2.868 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792010 607470904 /nfs/dbraw/zinc/47/09/04/607470904.db2.gz MMIRHEYNYMQDLQ-IFXJQAMLSA-N 2 2 375.480 2.868 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000824886393 607512448 /nfs/dbraw/zinc/51/24/48/607512448.db2.gz YDIDVDJOXMGNKF-VQIMIIECSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000824886393 607512450 /nfs/dbraw/zinc/51/24/50/607512450.db2.gz YDIDVDJOXMGNKF-VQIMIIECSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886393 607512451 /nfs/dbraw/zinc/51/24/51/607512451.db2.gz YDIDVDJOXMGNKF-VQIMIIECSA-N 2 2 377.496 2.747 20 0 GFADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(-c3nn[nH]n3)c2)CC[NH+]1Cc1ccccc1 ZINC000824886393 607512452 /nfs/dbraw/zinc/51/24/52/607512452.db2.gz YDIDVDJOXMGNKF-VQIMIIECSA-N 2 2 377.496 2.747 20 0 GFADLP C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821610993 606111652 /nfs/dbraw/zinc/11/16/52/606111652.db2.gz MVSKBBGKVPSYBA-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821610993 606111654 /nfs/dbraw/zinc/11/16/54/606111654.db2.gz MVSKBBGKVPSYBA-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000826304313 607903888 /nfs/dbraw/zinc/90/38/88/607903888.db2.gz GPGVKAGFCAWTSV-MRXNPFEDSA-N 2 2 377.496 2.891 20 0 GFADLP CCC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@@H+]1CCOC ZINC000825259581 608303927 /nfs/dbraw/zinc/30/39/27/608303927.db2.gz JKYYMLMBIAAVCP-MRXNPFEDSA-N 2 2 395.511 2.660 20 0 GFADLP CCC[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC[N@H+]1CCOC ZINC000825259581 608303929 /nfs/dbraw/zinc/30/39/29/608303929.db2.gz JKYYMLMBIAAVCP-MRXNPFEDSA-N 2 2 395.511 2.660 20 0 GFADLP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)C2)nc(C)[nH+]1 ZINC000826269521 609232973 /nfs/dbraw/zinc/23/29/73/609232973.db2.gz ORGWPOWEPHISPF-CJNGLKHVSA-N 2 2 396.474 2.732 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000274270426 655182907 /nfs/dbraw/zinc/18/29/07/655182907.db2.gz FBSBATQCWUOKJR-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000274270426 655182908 /nfs/dbraw/zinc/18/29/08/655182908.db2.gz FBSBATQCWUOKJR-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715539 655206254 /nfs/dbraw/zinc/20/62/54/655206254.db2.gz PLAJUVWTEPEUGB-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715539 655206256 /nfs/dbraw/zinc/20/62/56/655206256.db2.gz PLAJUVWTEPEUGB-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP CN(CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl)CC[NH+](C)C ZINC000289356390 655347482 /nfs/dbraw/zinc/34/74/82/655347482.db2.gz GUFOPSBSBWEMCM-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP CN(CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl)CC[NH+](C)C ZINC000289356390 655347484 /nfs/dbraw/zinc/34/74/84/655347484.db2.gz GUFOPSBSBWEMCM-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP C[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000185344191 655363918 /nfs/dbraw/zinc/36/39/18/655363918.db2.gz ZGHZPKQZTMWMFH-CHWSQXEVSA-N 2 2 388.325 2.828 20 0 GFADLP Brc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261837980 655442648 /nfs/dbraw/zinc/44/26/48/655442648.db2.gz VXKBKBFJGHLBTE-UHFFFAOYSA-N 2 2 376.302 2.523 20 0 GFADLP O=C(NCC1=CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000579831943 655504440 /nfs/dbraw/zinc/50/44/40/655504440.db2.gz SSTHOEVQKDAMDD-QGZVFWFLSA-N 2 2 378.314 2.622 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845667352 661486317 /nfs/dbraw/zinc/48/63/17/661486317.db2.gz PIVKKMWFGQGOBR-AWEZNQCLSA-N 2 2 379.376 2.628 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000845667352 661486323 /nfs/dbraw/zinc/48/63/23/661486323.db2.gz PIVKKMWFGQGOBR-AWEZNQCLSA-N 2 2 379.376 2.628 20 0 GFADLP CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172090 662271946 /nfs/dbraw/zinc/27/19/46/662271946.db2.gz PLGHRUXTJWBWIT-KRWDZBQOSA-N 2 2 384.362 2.942 20 0 GFADLP CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000862172090 662271948 /nfs/dbraw/zinc/27/19/48/662271948.db2.gz PLGHRUXTJWBWIT-KRWDZBQOSA-N 2 2 384.362 2.942 20 0 GFADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccnc2Br)c2ccccc2)CC1 ZINC000865446292 662422021 /nfs/dbraw/zinc/42/20/21/662422021.db2.gz RGPPDCDEMRFGNE-SFHVURJKSA-N 2 2 389.341 2.922 20 0 GFADLP Cc1cc(Br)cn2c(CNc3cc4n(n3)CC[N@@H+](C)C4)c[nH+]c12 ZINC000865844940 662447018 /nfs/dbraw/zinc/44/70/18/662447018.db2.gz KLXNYPVGEPYWEZ-UHFFFAOYSA-N 2 2 375.274 2.659 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075643 662755273 /nfs/dbraw/zinc/75/52/73/662755273.db2.gz TUFGCGGFYZLUFW-QRQLOZEOSA-N 2 2 397.357 2.963 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872075643 662755274 /nfs/dbraw/zinc/75/52/74/662755274.db2.gz TUFGCGGFYZLUFW-QRQLOZEOSA-N 2 2 397.357 2.963 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)c[nH+]c12 ZINC000873227039 662804195 /nfs/dbraw/zinc/80/41/95/662804195.db2.gz BHSXSBYUGHWEEU-GXFFZTMASA-N 2 2 391.235 2.974 20 0 GFADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1 ZINC000894187156 663447233 /nfs/dbraw/zinc/44/72/33/663447233.db2.gz ZQEYNFFUFWYYMC-UHFFFAOYSA-N 2 2 396.333 2.588 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ccc(-c3nnc(Br)o3)cc2)CC1 ZINC000911968254 664264155 /nfs/dbraw/zinc/26/41/55/664264155.db2.gz UDQJKVQYTCEZDV-UHFFFAOYSA-N 2 2 394.317 2.937 20 0 GFADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000921544468 664552904 /nfs/dbraw/zinc/55/29/04/664552904.db2.gz RPLQSYWXXLFUJM-UHFFFAOYSA-N 2 2 392.345 2.600 20 0 GFADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(Br)n2)nc[nH+]1 ZINC000925368632 664671222 /nfs/dbraw/zinc/67/12/22/664671222.db2.gz DOCAHRYXBLMMBD-OLZOCXBDSA-N 2 2 391.317 2.995 20 0 GFADLP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000925841534 664675733 /nfs/dbraw/zinc/67/57/33/664675733.db2.gz PTYMWHZJNAUXKV-UHNFBRDESA-N 2 2 392.352 2.824 20 0 GFADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4[nH]c(C)c(C)c43)CC2)CC1 ZINC001164617879 719027134 /nfs/dbraw/zinc/02/71/34/719027134.db2.gz QSRUCEWUUDWJSS-UHFFFAOYSA-N 2 2 385.512 2.819 20 0 GFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740026 720833673 /nfs/dbraw/zinc/83/36/73/720833673.db2.gz BOYGIKYPRYLGFE-NJDAHSKKSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740026 720833678 /nfs/dbraw/zinc/83/36/78/720833678.db2.gz BOYGIKYPRYLGFE-NJDAHSKKSA-N 2 2 378.524 2.930 20 0 GFADLP c1[nH+]cn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@H](COCC1CC1)C2 ZINC001164756359 720979493 /nfs/dbraw/zinc/97/94/93/720979493.db2.gz HCFFDYDRPAJYCG-FQEVSTJZSA-N 2 2 381.524 2.937 20 0 GFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164946881 721969696 /nfs/dbraw/zinc/96/96/96/721969696.db2.gz YGKHMFRBZCKZNG-UHFFFAOYSA-N 2 2 375.476 2.534 20 0 GFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164946881 721969699 /nfs/dbraw/zinc/96/96/99/721969699.db2.gz YGKHMFRBZCKZNG-UHFFFAOYSA-N 2 2 375.476 2.534 20 0 GFADLP Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc(C(C)(C)C)[nH+]1 ZINC001165004899 722257207 /nfs/dbraw/zinc/25/72/07/722257207.db2.gz WPHPKZXTVHBSJN-UHFFFAOYSA-N 2 2 386.544 2.768 20 0 GFADLP C[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000124430770 551314745 /nfs/dbraw/zinc/31/47/45/551314745.db2.gz BXCJRJKLJGYBEA-CQSZACIVSA-N 2 2 379.302 2.845 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000124430770 551314747 /nfs/dbraw/zinc/31/47/47/551314747.db2.gz BXCJRJKLJGYBEA-CQSZACIVSA-N 2 2 379.302 2.845 20 0 GFADLP C[C@H](C[NH2+][C@@H](C)c1ccc(I)cc1)C[NH+]1CCOCC1 ZINC000153310083 551450072 /nfs/dbraw/zinc/45/00/72/551450072.db2.gz PZTXFEYCWFJPNG-KGLIPLIRSA-N 2 2 388.293 2.910 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000156416123 551522592 /nfs/dbraw/zinc/52/25/92/551522592.db2.gz IDQJBTKFUGLWEC-CJNGLKHVSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000156416123 551522595 /nfs/dbraw/zinc/52/25/95/551522595.db2.gz IDQJBTKFUGLWEC-CJNGLKHVSA-N 2 2 380.330 2.784 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000173654535 552090293 /nfs/dbraw/zinc/09/02/93/552090293.db2.gz VOFDTGRCKJWVLU-ZIAGYGMSSA-N 2 2 398.345 2.661 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175099914 552115882 /nfs/dbraw/zinc/11/58/82/552115882.db2.gz ANOYYKIDQBYVFQ-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000175432971 552121893 /nfs/dbraw/zinc/12/18/93/552121893.db2.gz XVDJNGZYQJSKRL-UHFFFAOYSA-N 2 2 387.297 2.736 20 0 GFADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000178232913 552167590 /nfs/dbraw/zinc/16/75/90/552167590.db2.gz BNFBGEUBAWTVGX-AWEZNQCLSA-N 2 2 378.318 2.683 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074033 552549680 /nfs/dbraw/zinc/54/96/80/552549680.db2.gz SPWJRWMVGUNONQ-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074033 552549683 /nfs/dbraw/zinc/54/96/83/552549683.db2.gz SPWJRWMVGUNONQ-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074033 552549686 /nfs/dbraw/zinc/54/96/86/552549686.db2.gz SPWJRWMVGUNONQ-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192074033 552549688 /nfs/dbraw/zinc/54/96/88/552549688.db2.gz SPWJRWMVGUNONQ-RHSMWYFYSA-N 2 2 380.330 2.828 20 0 GFADLP C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000237495455 553078524 /nfs/dbraw/zinc/07/85/24/553078524.db2.gz ROVIBSYZJHHDQJ-STQMWFEESA-N 2 2 379.302 2.739 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246467051 553108041 /nfs/dbraw/zinc/10/80/41/553108041.db2.gz GJKITCFWCGSSRH-PBHICJAKSA-N 2 2 380.330 2.654 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246467051 553108045 /nfs/dbraw/zinc/10/80/45/553108045.db2.gz GJKITCFWCGSSRH-PBHICJAKSA-N 2 2 380.330 2.654 20 0 GFADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770586 553158645 /nfs/dbraw/zinc/15/86/45/553158645.db2.gz WXBLPVOOUZMRED-DYVFJYSZSA-N 2 2 398.320 2.668 20 0 GFADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770586 553158648 /nfs/dbraw/zinc/15/86/48/553158648.db2.gz WXBLPVOOUZMRED-DYVFJYSZSA-N 2 2 398.320 2.668 20 0 GFADLP CCn1ccnc1[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313954 563359228 /nfs/dbraw/zinc/35/92/28/563359228.db2.gz XMAJVANKQNUXBS-WFASDCNBSA-N 2 2 398.292 2.781 20 0 GFADLP COc1cc(Br)ccc1CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419690543 563246327 /nfs/dbraw/zinc/24/63/27/563246327.db2.gz VCQMFFJOTHPZTR-UHFFFAOYSA-N 2 2 381.318 2.980 20 0 GFADLP Fc1cc(Br)cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000420352670 563262014 /nfs/dbraw/zinc/26/20/14/563262014.db2.gz MNRSTHZXRJQGTA-UHFFFAOYSA-N 2 2 394.292 2.663 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1c[nH+]c2ccc(Br)cn12 ZINC000371470952 563278347 /nfs/dbraw/zinc/27/83/47/563278347.db2.gz PTKAKHBOEHHRAF-OIISXLGYSA-N 2 2 393.329 2.780 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ncc(Br)cn1 ZINC000420976690 563291815 /nfs/dbraw/zinc/29/18/15/563291815.db2.gz RGKSEXIQDQHMOJ-CQSZACIVSA-N 2 2 391.313 2.922 20 0 GFADLP OC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000280495430 563339796 /nfs/dbraw/zinc/33/97/96/563339796.db2.gz BOZRAUHBKAXWBB-CYBMUJFWSA-N 2 2 378.192 2.988 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884408 563349540 /nfs/dbraw/zinc/34/95/40/563349540.db2.gz WULOCDPMHPMSDJ-CRAIPNDOSA-N 2 2 397.357 2.854 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889289 563350204 /nfs/dbraw/zinc/35/02/04/563350204.db2.gz FPGHFFXYKAFSRZ-BEFAXECRSA-N 2 2 396.373 2.770 20 0 GFADLP COc1cc(Br)ccc1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423036536 563352955 /nfs/dbraw/zinc/35/29/55/563352955.db2.gz UHCCSTKQFPRGCD-ROUUACIJSA-N 2 2 383.330 2.747 20 0 GFADLP Brc1cccc2[nH]cc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)c21 ZINC000423121188 563356224 /nfs/dbraw/zinc/35/62/24/563356224.db2.gz IDZZYZGWSOLTAF-SJLPKXTDSA-N 2 2 378.314 2.830 20 0 GFADLP CCn1cc[nH+]c1[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423447972 563361030 /nfs/dbraw/zinc/36/10/30/563361030.db2.gz PKLCGFUJIICESP-YWPYICTPSA-N 2 2 398.292 2.922 20 0 GFADLP CC[C@@H]([NH3+])CN[C@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423480495 563361386 /nfs/dbraw/zinc/36/13/86/563361386.db2.gz WDPMGSKDNIPZGZ-CABCVRRESA-N 2 2 398.292 2.924 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCO[C@]4(CCOC4)C3)c[nH+]c12 ZINC000374626605 563377824 /nfs/dbraw/zinc/37/78/24/563377824.db2.gz AUKVGWYAJVTGPT-RHSMWYFYSA-N 2 2 380.286 2.833 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)cs1 ZINC000375507998 563408376 /nfs/dbraw/zinc/40/83/76/563408376.db2.gz LAXWWHCSTOUBRM-ZVWUFJHRSA-N 2 2 383.315 2.915 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ncc(I)s1)CCC2 ZINC000375786795 563418582 /nfs/dbraw/zinc/41/85/82/563418582.db2.gz FRYZCRWQLKECEU-JTQLQIEISA-N 2 2 388.278 2.920 20 0 GFADLP Cc1cc(N2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000302412971 563425424 /nfs/dbraw/zinc/42/54/24/563425424.db2.gz IMNSJNAIRJMXIT-UHFFFAOYSA-N 2 2 389.297 2.913 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230960 563452034 /nfs/dbraw/zinc/45/20/34/563452034.db2.gz VBUMYXQRRCFRKJ-AEFFLSMTSA-N 2 2 394.357 2.872 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324230960 563452038 /nfs/dbraw/zinc/45/20/38/563452038.db2.gz VBUMYXQRRCFRKJ-AEFFLSMTSA-N 2 2 394.357 2.872 20 0 GFADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394547629 563530147 /nfs/dbraw/zinc/53/01/47/563530147.db2.gz ZZZLZLCQIAHPEZ-CYBMUJFWSA-N 2 2 380.124 2.614 20 0 GFADLP CC[NH+]1CCN(CCCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000289219752 563672398 /nfs/dbraw/zinc/67/23/98/563672398.db2.gz JFMRVGFSPXKAJY-UHFFFAOYSA-N 2 2 394.361 2.604 20 0 GFADLP O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507295 563696104 /nfs/dbraw/zinc/69/61/04/563696104.db2.gz LULHOFUACDCAES-MSOLQXFVSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507295 563696107 /nfs/dbraw/zinc/69/61/07/563696107.db2.gz LULHOFUACDCAES-MSOLQXFVSA-N 2 2 379.595 2.752 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134915 563760429 /nfs/dbraw/zinc/76/04/29/563760429.db2.gz WIYIUDLYYQEEEH-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)nn1 ZINC000415134915 563760431 /nfs/dbraw/zinc/76/04/31/563760431.db2.gz WIYIUDLYYQEEEH-CQSZACIVSA-N 2 2 384.709 2.990 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1Br ZINC000365099472 563774044 /nfs/dbraw/zinc/77/40/44/563774044.db2.gz MHCCSLMXEPHVBF-YOEHRIQHSA-N 2 2 378.318 2.669 20 0 GFADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1Br ZINC000365099472 563774045 /nfs/dbraw/zinc/77/40/45/563774045.db2.gz MHCCSLMXEPHVBF-YOEHRIQHSA-N 2 2 378.318 2.669 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365584218 563787335 /nfs/dbraw/zinc/78/73/35/563787335.db2.gz KWGWJIKYUYZNTN-HNNXBMFYSA-N 2 2 397.361 2.730 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365584218 563787339 /nfs/dbraw/zinc/78/73/39/563787339.db2.gz KWGWJIKYUYZNTN-HNNXBMFYSA-N 2 2 397.361 2.730 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292950668 563797621 /nfs/dbraw/zinc/79/76/21/563797621.db2.gz KOPIPIBQVYZZOD-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292950668 563797624 /nfs/dbraw/zinc/79/76/24/563797624.db2.gz KOPIPIBQVYZZOD-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292950668 563797628 /nfs/dbraw/zinc/79/76/28/563797628.db2.gz KOPIPIBQVYZZOD-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292950668 563797629 /nfs/dbraw/zinc/79/76/29/563797629.db2.gz KOPIPIBQVYZZOD-LJQANCHMSA-N 2 2 394.357 2.825 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707483 563835531 /nfs/dbraw/zinc/83/55/31/563835531.db2.gz YBOLHAVBXINCKN-HNNXBMFYSA-N 2 2 382.346 2.742 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444707483 563835532 /nfs/dbraw/zinc/83/55/32/563835532.db2.gz YBOLHAVBXINCKN-HNNXBMFYSA-N 2 2 382.346 2.742 20 0 GFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000368017590 563862116 /nfs/dbraw/zinc/86/21/16/563862116.db2.gz FPTMVLMUJHGFPA-FUHWJXTLSA-N 2 2 396.373 2.815 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)c[nH+]c12 ZINC000368500840 563872138 /nfs/dbraw/zinc/87/21/38/563872138.db2.gz YPHAMYDBBDTWFN-ZBFHGGJFSA-N 2 2 377.286 2.552 20 0 GFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601148 564192031 /nfs/dbraw/zinc/19/20/31/564192031.db2.gz QQYIYEXKFZIUJF-JLJPHGGASA-N 2 2 385.346 2.539 20 0 GFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000449601148 564192032 /nfs/dbraw/zinc/19/20/32/564192032.db2.gz QQYIYEXKFZIUJF-JLJPHGGASA-N 2 2 385.346 2.539 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202398 564212955 /nfs/dbraw/zinc/21/29/55/564212955.db2.gz HVDWVQHYAAFEDF-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202398 564212956 /nfs/dbraw/zinc/21/29/56/564212956.db2.gz HVDWVQHYAAFEDF-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP C[NH+](C)CCOC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000539832400 564229504 /nfs/dbraw/zinc/22/95/04/564229504.db2.gz UAEYRFAWGXCFRL-UHFFFAOYSA-N 2 2 381.318 2.639 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000541841676 564291595 /nfs/dbraw/zinc/29/15/95/564291595.db2.gz ANPHVMYAISTPBH-JSGCOSHPSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000541841676 564291596 /nfs/dbraw/zinc/29/15/96/564291596.db2.gz ANPHVMYAISTPBH-JSGCOSHPSA-N 2 2 394.317 2.687 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899023 564301837 /nfs/dbraw/zinc/30/18/37/564301837.db2.gz YHNIFFNEMJWATA-GFCCVEGCSA-N 2 2 375.257 2.915 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2F)CC12CCOCC2 ZINC000565899023 564301839 /nfs/dbraw/zinc/30/18/39/564301839.db2.gz YHNIFFNEMJWATA-GFCCVEGCSA-N 2 2 375.257 2.915 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000566036377 564306668 /nfs/dbraw/zinc/30/66/68/564306668.db2.gz DZLPXYIYHJHACU-UHFFFAOYSA-N 2 2 385.892 2.683 20 0 GFADLP CC(C)NC(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889839 564349768 /nfs/dbraw/zinc/34/97/68/564349768.db2.gz ZYDQROKXJAPSLQ-UHFFFAOYSA-N 2 2 383.290 2.656 20 0 GFADLP CC(C)NC(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889839 564349772 /nfs/dbraw/zinc/34/97/72/564349772.db2.gz ZYDQROKXJAPSLQ-UHFFFAOYSA-N 2 2 383.290 2.656 20 0 GFADLP Cc1c(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cnn1C ZINC000510955318 564350687 /nfs/dbraw/zinc/35/06/87/564350687.db2.gz WZKNCCIHYNSUDX-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1c(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cnn1C ZINC000510955318 564350690 /nfs/dbraw/zinc/35/06/90/564350690.db2.gz WZKNCCIHYNSUDX-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000451997301 564378302 /nfs/dbraw/zinc/37/83/02/564378302.db2.gz YYQMNFKJLDXKST-UHFFFAOYSA-N 2 2 394.361 2.831 20 0 GFADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000451997301 564378306 /nfs/dbraw/zinc/37/83/06/564378306.db2.gz YYQMNFKJLDXKST-UHFFFAOYSA-N 2 2 394.361 2.831 20 0 GFADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ncc(Br)cc1F ZINC000569472541 564464896 /nfs/dbraw/zinc/46/48/96/564464896.db2.gz CLLDNOHKMIOLBO-NSHDSACASA-N 2 2 380.265 2.961 20 0 GFADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227105 564465030 /nfs/dbraw/zinc/46/50/30/564465030.db2.gz MWYPGZSMNZAVFY-DOMZBBRYSA-N 2 2 387.343 2.599 20 0 GFADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227105 564465033 /nfs/dbraw/zinc/46/50/33/564465033.db2.gz MWYPGZSMNZAVFY-DOMZBBRYSA-N 2 2 387.343 2.599 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348681 564476221 /nfs/dbraw/zinc/47/62/21/564476221.db2.gz IWRWGRCUQARBJC-LSDHHAIUSA-N 2 2 385.599 2.741 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000515348681 564476225 /nfs/dbraw/zinc/47/62/25/564476225.db2.gz IWRWGRCUQARBJC-LSDHHAIUSA-N 2 2 385.599 2.741 20 0 GFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920328 564528351 /nfs/dbraw/zinc/52/83/51/564528351.db2.gz UWMHDOCAZUDFJU-YESZJQIVSA-N 2 2 385.961 2.916 20 0 GFADLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920328 564528353 /nfs/dbraw/zinc/52/83/53/564528353.db2.gz UWMHDOCAZUDFJU-YESZJQIVSA-N 2 2 385.961 2.916 20 0 GFADLP Brc1cc2c(cc1C[NH+]1CCN(c3[nH]cc[nH+]3)CC1)OCCCO2 ZINC000572420015 564594212 /nfs/dbraw/zinc/59/42/12/564594212.db2.gz FVQZKPDGMCIDHX-UHFFFAOYSA-N 2 2 393.285 2.656 20 0 GFADLP CC(C)[NH2+]CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000521225684 564622924 /nfs/dbraw/zinc/62/29/24/564622924.db2.gz XVLCSUZYYGVPKU-CQSZACIVSA-N 2 2 375.332 2.645 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550892869 564633969 /nfs/dbraw/zinc/63/39/69/564633969.db2.gz UFWOVFVETMMZSU-YJBOKZPZSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550892869 564633974 /nfs/dbraw/zinc/63/39/74/564633974.db2.gz UFWOVFVETMMZSU-YJBOKZPZSA-N 2 2 390.325 2.863 20 0 GFADLP CSc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486022148 564636007 /nfs/dbraw/zinc/63/60/07/564636007.db2.gz AVVNOOLOPVOFKI-OAHLLOKOSA-N 2 2 398.370 2.567 20 0 GFADLP CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486022148 564636011 /nfs/dbraw/zinc/63/60/11/564636011.db2.gz AVVNOOLOPVOFKI-OAHLLOKOSA-N 2 2 398.370 2.567 20 0 GFADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457949112 564680410 /nfs/dbraw/zinc/68/04/10/564680410.db2.gz NZZMVESGRJLYPY-UHFFFAOYSA-N 2 2 394.317 2.770 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685660 564756536 /nfs/dbraw/zinc/75/65/36/564756536.db2.gz AZJFEZQEMRGWAQ-IAISJRAMSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459685660 564756540 /nfs/dbraw/zinc/75/65/40/564756540.db2.gz AZJFEZQEMRGWAQ-IAISJRAMSA-N 2 2 385.321 2.812 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC3=CC[NH2+]CC3)[nH+]c12 ZINC000581299961 564797079 /nfs/dbraw/zinc/79/70/79/564797079.db2.gz XSAPNMBJWMCDFS-UHFFFAOYSA-N 2 2 392.301 2.514 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000581714243 564815567 /nfs/dbraw/zinc/81/55/67/564815567.db2.gz PAPUXWIRUSGHMK-QMMMGPOBSA-N 2 2 396.116 2.863 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000581714243 564815570 /nfs/dbraw/zinc/81/55/70/564815570.db2.gz PAPUXWIRUSGHMK-QMMMGPOBSA-N 2 2 396.116 2.863 20 0 GFADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581883176 564821864 /nfs/dbraw/zinc/82/18/64/564821864.db2.gz OUWKFHKEMOYHME-PBHICJAKSA-N 2 2 380.330 2.702 20 0 GFADLP Clc1ccc(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1Cl ZINC000463164688 564870875 /nfs/dbraw/zinc/87/08/75/564870875.db2.gz OOSWNLONABEERH-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP Clc1ccc(CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1Cl ZINC000463164688 564870877 /nfs/dbraw/zinc/87/08/77/564870877.db2.gz OOSWNLONABEERH-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000499925702 564940304 /nfs/dbraw/zinc/94/03/04/564940304.db2.gz DFXKBOKFMQMAFU-UHFFFAOYSA-N 2 2 388.375 2.887 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499925702 564940307 /nfs/dbraw/zinc/94/03/07/564940307.db2.gz DFXKBOKFMQMAFU-UHFFFAOYSA-N 2 2 388.375 2.887 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731282 564971150 /nfs/dbraw/zinc/97/11/50/564971150.db2.gz AWMPPRJRBFLSNT-NWDGAFQWSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731282 564971153 /nfs/dbraw/zinc/97/11/53/564971153.db2.gz AWMPPRJRBFLSNT-NWDGAFQWSA-N 2 2 378.464 2.755 20 0 GFADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469134 564995912 /nfs/dbraw/zinc/99/59/12/564995912.db2.gz ZYLNCESDWAWEKJ-UONOGXRCSA-N 2 2 398.345 2.696 20 0 GFADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Br)c1 ZINC000561469134 564995913 /nfs/dbraw/zinc/99/59/13/564995913.db2.gz ZYLNCESDWAWEKJ-UONOGXRCSA-N 2 2 398.345 2.696 20 0 GFADLP C[C@H]([NH2+]C1CC1)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000563095551 565055318 /nfs/dbraw/zinc/05/53/18/565055318.db2.gz YNSFAHGTXCCEAC-AWEZNQCLSA-N 2 2 391.313 2.815 20 0 GFADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000613841604 565082944 /nfs/dbraw/zinc/08/29/44/565082944.db2.gz UUNRIIXKWMVLTN-ZIAGYGMSSA-N 2 2 377.286 2.986 20 0 GFADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000584843230 565101251 /nfs/dbraw/zinc/10/12/51/565101251.db2.gz MWDNTMULMZMAIM-INIZCTEOSA-N 2 2 379.551 2.691 20 0 GFADLP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486061 565104999 /nfs/dbraw/zinc/10/49/99/565104999.db2.gz XLLWZTOAMPZDLX-CYBMUJFWSA-N 2 2 394.313 2.541 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000585810796 565111927 /nfs/dbraw/zinc/11/19/27/565111927.db2.gz JOSJSGNADPKVMQ-GASCZTMLSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@H](C)O1 ZINC000585810796 565111931 /nfs/dbraw/zinc/11/19/31/565111931.db2.gz JOSJSGNADPKVMQ-GASCZTMLSA-N 2 2 398.345 2.867 20 0 GFADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671124 565206783 /nfs/dbraw/zinc/20/67/83/565206783.db2.gz MBSRHLXJWVQLBY-LRDDRELGSA-N 2 2 385.580 2.630 20 0 GFADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H]1c1cccs1 ZINC000638671124 565206788 /nfs/dbraw/zinc/20/67/88/565206788.db2.gz MBSRHLXJWVQLBY-LRDDRELGSA-N 2 2 385.580 2.630 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H]([NH3+])C(C)C)[nH+]c12 ZINC000659480036 565218472 /nfs/dbraw/zinc/21/84/72/565218472.db2.gz DDIDIYLGFHPSHP-OAHLLOKOSA-N 2 2 396.333 2.620 20 0 GFADLP COc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1Br ZINC000638986255 565220300 /nfs/dbraw/zinc/22/03/00/565220300.db2.gz YKPJFYILUCJSPR-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP NC(=O)[C@@H](c1ccc(Br)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639706223 565255183 /nfs/dbraw/zinc/25/51/83/565255183.db2.gz WVKZPOJMKWIJDQ-QGZVFWFLSA-N 2 2 389.297 2.583 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742082 565357867 /nfs/dbraw/zinc/35/78/67/565357867.db2.gz NSPIUIWGSUCEEZ-RVKKMQEKSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@H](C)O1 ZINC000619742082 565357872 /nfs/dbraw/zinc/35/78/72/565357872.db2.gz NSPIUIWGSUCEEZ-RVKKMQEKSA-N 2 2 399.373 2.786 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1Br ZINC000662534945 565374883 /nfs/dbraw/zinc/37/48/83/565374883.db2.gz HHMHBFJLSATOOI-NSHDSACASA-N 2 2 392.301 2.563 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccccc1Br ZINC000663304413 565411857 /nfs/dbraw/zinc/41/18/57/565411857.db2.gz QGBNIWBMXUFWQS-ZFWWWQNUSA-N 2 2 396.329 2.619 20 0 GFADLP Ic1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594941087 565436184 /nfs/dbraw/zinc/43/61/84/565436184.db2.gz RAHLYTNYCLQRBB-UHFFFAOYSA-N 2 2 383.233 2.603 20 0 GFADLP COc1cc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2cc1Br ZINC000644872456 565500104 /nfs/dbraw/zinc/50/01/04/565500104.db2.gz CMHBRNSAIROIAN-GTNSWQLSSA-N 2 2 380.286 2.559 20 0 GFADLP COc1cc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2cc1Br ZINC000644872456 565500109 /nfs/dbraw/zinc/50/01/09/565500109.db2.gz CMHBRNSAIROIAN-GTNSWQLSSA-N 2 2 380.286 2.559 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193841 565527010 /nfs/dbraw/zinc/52/70/10/565527010.db2.gz XXFYMGKNJZIRSM-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193841 565527016 /nfs/dbraw/zinc/52/70/16/565527016.db2.gz XXFYMGKNJZIRSM-UHFFFAOYSA-N 2 2 375.286 2.593 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000666554715 565542261 /nfs/dbraw/zinc/54/22/61/565542261.db2.gz KKQNKIUWFNBMDL-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000666554715 565542265 /nfs/dbraw/zinc/54/22/65/565542265.db2.gz KKQNKIUWFNBMDL-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085309 565542611 /nfs/dbraw/zinc/54/26/11/565542611.db2.gz MHGYLIBMQJXZSN-MAZHCROVSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085309 565542616 /nfs/dbraw/zinc/54/26/16/565542616.db2.gz MHGYLIBMQJXZSN-MAZHCROVSA-N 2 2 380.330 2.927 20 0 GFADLP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1OC ZINC000646104073 565586872 /nfs/dbraw/zinc/58/68/72/565586872.db2.gz ZLIDTQPJNYFZBD-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1OC ZINC000646104073 565586875 /nfs/dbraw/zinc/58/68/75/565586875.db2.gz ZLIDTQPJNYFZBD-UHFFFAOYSA-N 2 2 399.329 2.763 20 0 GFADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646985662 565631145 /nfs/dbraw/zinc/63/11/45/565631145.db2.gz FQDLGZPQHZTMHF-IRXDYDNUSA-N 2 2 380.330 2.844 20 0 GFADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)Cn3cc(Br)ccc3=O)cn21 ZINC000647363670 565658766 /nfs/dbraw/zinc/65/87/66/565658766.db2.gz GVHVUEVYSLHUGA-CYBMUJFWSA-N 2 2 389.297 2.788 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010253 565670938 /nfs/dbraw/zinc/67/09/38/565670938.db2.gz MAIHGBSPYCYYMS-FUHWJXTLSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010253 565670942 /nfs/dbraw/zinc/67/09/42/565670942.db2.gz MAIHGBSPYCYYMS-FUHWJXTLSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010253 565670946 /nfs/dbraw/zinc/67/09/46/565670946.db2.gz MAIHGBSPYCYYMS-FUHWJXTLSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000626010253 565670949 /nfs/dbraw/zinc/67/09/49/565670949.db2.gz MAIHGBSPYCYYMS-FUHWJXTLSA-N 2 2 385.346 2.834 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200241 565829708 /nfs/dbraw/zinc/82/97/08/565829708.db2.gz HXWFZZOBZCMBDA-ZDUSSCGKSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000602200241 565829712 /nfs/dbraw/zinc/82/97/12/565829712.db2.gz HXWFZZOBZCMBDA-ZDUSSCGKSA-N 2 2 386.323 2.657 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560490 565859655 /nfs/dbraw/zinc/85/96/55/565859655.db2.gz FIJROPHXBDCVEA-UGFHNGPFSA-N 2 2 375.822 2.904 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC[C@@H]1C(F)(F)F ZINC000629560490 565859659 /nfs/dbraw/zinc/85/96/59/565859659.db2.gz FIJROPHXBDCVEA-UGFHNGPFSA-N 2 2 375.822 2.904 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592899 565862035 /nfs/dbraw/zinc/86/20/35/565862035.db2.gz GGQAALOADIJKRY-ZMYBRWDISA-N 2 2 394.357 2.727 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592899 565862037 /nfs/dbraw/zinc/86/20/37/565862037.db2.gz GGQAALOADIJKRY-ZMYBRWDISA-N 2 2 394.357 2.727 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157039 565924490 /nfs/dbraw/zinc/92/44/90/565924490.db2.gz PZIASNCVPIYQNE-OAHLLOKOSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000604157039 565924496 /nfs/dbraw/zinc/92/44/96/565924496.db2.gz PZIASNCVPIYQNE-OAHLLOKOSA-N 2 2 385.339 2.961 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ncnn3C(C)C)[nH+]c12 ZINC000631109742 565941483 /nfs/dbraw/zinc/94/14/83/565941483.db2.gz BMOGTYZGBAPEHE-UHFFFAOYSA-N 2 2 377.290 2.910 20 0 GFADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000678924621 566024205 /nfs/dbraw/zinc/02/42/05/566024205.db2.gz NUXCFFPXNMUMCE-LBPRGKRZSA-N 2 2 380.286 2.620 20 0 GFADLP Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000822191750 599107042 /nfs/dbraw/zinc/10/70/42/599107042.db2.gz PNEFMHISEUSHCQ-GOSISDBHSA-N 2 2 377.496 2.837 20 0 GFADLP Cc1cc(C)c(-c2nn[nH]n2)c(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000822191750 599107045 /nfs/dbraw/zinc/10/70/45/599107045.db2.gz PNEFMHISEUSHCQ-GOSISDBHSA-N 2 2 377.496 2.837 20 0 GFADLP c1ccc2c(c1)CC[N@@H+](CCCNc1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000738443746 599271708 /nfs/dbraw/zinc/27/17/08/599271708.db2.gz ZIRNXCPUSDFCOT-UHFFFAOYSA-N 2 2 385.475 2.697 20 0 GFADLP c1ccc2c(c1)CC[N@H+](CCCNc1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000738443746 599271711 /nfs/dbraw/zinc/27/17/11/599271711.db2.gz ZIRNXCPUSDFCOT-UHFFFAOYSA-N 2 2 385.475 2.697 20 0 GFADLP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)CC2)oc1C ZINC000822441095 606418586 /nfs/dbraw/zinc/41/85/86/606418586.db2.gz SQSACQXPYYEHFM-UHFFFAOYSA-N 2 2 387.513 2.535 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255132 606500044 /nfs/dbraw/zinc/50/00/44/606500044.db2.gz VIUYVICJQGMVRI-WFASDCNBSA-N 2 2 380.443 2.630 20 0 GFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255132 606500046 /nfs/dbraw/zinc/50/00/46/606500046.db2.gz VIUYVICJQGMVRI-WFASDCNBSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255132 606500048 /nfs/dbraw/zinc/50/00/48/606500048.db2.gz VIUYVICJQGMVRI-WFASDCNBSA-N 2 2 380.443 2.630 20 0 GFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)[C@@H](C)C1 ZINC000821255132 606500050 /nfs/dbraw/zinc/50/00/50/606500050.db2.gz VIUYVICJQGMVRI-WFASDCNBSA-N 2 2 380.443 2.630 20 0 GFADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476932 606521473 /nfs/dbraw/zinc/52/14/73/606521473.db2.gz AJUJQCZUPOAUGO-HNNXBMFYSA-N 2 2 389.410 2.638 20 0 GFADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000822476932 606521475 /nfs/dbraw/zinc/52/14/75/606521475.db2.gz AJUJQCZUPOAUGO-HNNXBMFYSA-N 2 2 389.410 2.638 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826168983 608362710 /nfs/dbraw/zinc/36/27/10/608362710.db2.gz DTFSHHADSURGBI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826168983 608362712 /nfs/dbraw/zinc/36/27/12/608362712.db2.gz DTFSHHADSURGBI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826168983 608362714 /nfs/dbraw/zinc/36/27/14/608362714.db2.gz DTFSHHADSURGBI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826168983 608362715 /nfs/dbraw/zinc/36/27/15/608362715.db2.gz DTFSHHADSURGBI-IAGOWNOFSA-N 2 2 384.528 2.962 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@H](C)C1 ZINC000825594979 609144933 /nfs/dbraw/zinc/14/49/33/609144933.db2.gz SOMJEAZPDKQUOY-CLCXKQKWSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@H](C)C1 ZINC000825594979 609144935 /nfs/dbraw/zinc/14/49/35/609144935.db2.gz SOMJEAZPDKQUOY-CLCXKQKWSA-N 2 2 390.507 2.793 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000053529599 654748484 /nfs/dbraw/zinc/74/84/84/654748484.db2.gz PNCQKOSWXYLZEB-INIZCTEOSA-N 2 2 378.567 2.940 20 0 GFADLP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615748 655014956 /nfs/dbraw/zinc/01/49/56/655014956.db2.gz RQVDYCQKCWSPNH-UHFFFAOYSA-N 2 2 388.339 2.892 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccncc3Br)CC2)CC1 ZINC000275646122 655245454 /nfs/dbraw/zinc/24/54/54/655245454.db2.gz MWERXRJUWBDDDG-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP O[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)COCc1cccs1 ZINC000517925872 655419273 /nfs/dbraw/zinc/41/92/73/655419273.db2.gz KRHKKNUSNGEXDO-KRWDZBQOSA-N 2 2 384.611 2.967 20 0 GFADLP FC(F)(F)c1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262134128 655444022 /nfs/dbraw/zinc/44/40/22/655444022.db2.gz ONBFVCZMHMTJEF-CQSZACIVSA-N 2 2 392.263 2.947 20 0 GFADLP FC(F)(F)c1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262134128 655444023 /nfs/dbraw/zinc/44/40/23/655444023.db2.gz ONBFVCZMHMTJEF-CQSZACIVSA-N 2 2 392.263 2.947 20 0 GFADLP COc1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000732719898 655600603 /nfs/dbraw/zinc/60/06/03/655600603.db2.gz DITMEWIJDZHEKH-CQSZACIVSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(NC(=S)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000732719898 655600606 /nfs/dbraw/zinc/60/06/06/655600606.db2.gz DITMEWIJDZHEKH-CQSZACIVSA-N 2 2 382.961 2.804 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000785476710 657367181 /nfs/dbraw/zinc/36/71/81/657367181.db2.gz YMIUQDJPJFYXHY-MRXNPFEDSA-N 2 2 380.989 2.647 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000785476710 657367186 /nfs/dbraw/zinc/36/71/86/657367186.db2.gz YMIUQDJPJFYXHY-MRXNPFEDSA-N 2 2 380.989 2.647 20 0 GFADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785476710 657367194 /nfs/dbraw/zinc/36/71/94/657367194.db2.gz YMIUQDJPJFYXHY-MRXNPFEDSA-N 2 2 380.989 2.647 20 0 GFADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785476710 657367199 /nfs/dbraw/zinc/36/71/99/657367199.db2.gz YMIUQDJPJFYXHY-MRXNPFEDSA-N 2 2 380.989 2.647 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636410 658588193 /nfs/dbraw/zinc/58/81/93/658588193.db2.gz IVQMRJYELLXKBW-CQSZACIVSA-N 2 2 394.313 2.978 20 0 GFADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636410 658588211 /nfs/dbraw/zinc/58/82/11/658588211.db2.gz IVQMRJYELLXKBW-CQSZACIVSA-N 2 2 394.313 2.978 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227401 661538874 /nfs/dbraw/zinc/53/88/74/661538874.db2.gz QJDQCNHWMATUCD-RAIGVLPGSA-N 2 2 380.842 2.953 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1Cl ZINC000846227401 661538877 /nfs/dbraw/zinc/53/88/77/661538877.db2.gz QJDQCNHWMATUCD-RAIGVLPGSA-N 2 2 380.842 2.953 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942716 662053156 /nfs/dbraw/zinc/05/31/56/662053156.db2.gz COHJYSATBSBLDR-HNNXBMFYSA-N 2 2 391.387 2.772 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000856942716 662053160 /nfs/dbraw/zinc/05/31/60/662053160.db2.gz COHJYSATBSBLDR-HNNXBMFYSA-N 2 2 391.387 2.772 20 0 GFADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859211837 662145416 /nfs/dbraw/zinc/14/54/16/662145416.db2.gz AWBMDFXFUZOFDV-UHFFFAOYSA-N 2 2 381.567 2.692 20 0 GFADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859211837 662145417 /nfs/dbraw/zinc/14/54/17/662145417.db2.gz AWBMDFXFUZOFDV-UHFFFAOYSA-N 2 2 381.567 2.692 20 0 GFADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000865494549 662424808 /nfs/dbraw/zinc/42/48/08/662424808.db2.gz CXWPECBJCOFYHF-IRXDYDNUSA-N 2 2 398.345 2.710 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412707 662471395 /nfs/dbraw/zinc/47/13/95/662471395.db2.gz BIDKSFGHFMNWAE-BBRMVZONSA-N 2 2 398.345 2.601 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412707 662471397 /nfs/dbraw/zinc/47/13/97/662471397.db2.gz BIDKSFGHFMNWAE-BBRMVZONSA-N 2 2 398.345 2.601 20 0 GFADLP Brc1ccc2c(c1)[C@H]1[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)[C@H]1C2 ZINC000866609586 662483890 /nfs/dbraw/zinc/48/38/90/662483890.db2.gz HUMXJIGMZYHLCU-QXCFHYIPSA-N 2 2 377.326 2.930 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034505 662754376 /nfs/dbraw/zinc/75/43/76/662754376.db2.gz PIBRBHPOCDRAPE-KANFNMMFSA-N 2 2 395.341 2.980 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@H]2CCOC2)c1 ZINC000872034505 662754378 /nfs/dbraw/zinc/75/43/78/662754378.db2.gz PIBRBHPOCDRAPE-KANFNMMFSA-N 2 2 395.341 2.980 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000878184437 662891335 /nfs/dbraw/zinc/89/13/35/662891335.db2.gz WCCIMIUYRRUZMR-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000878184437 662891336 /nfs/dbraw/zinc/89/13/36/662891336.db2.gz WCCIMIUYRRUZMR-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP Cc1[nH]c(C2CC[NH+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)CC2)[nH+]c1C ZINC000886662719 663115334 /nfs/dbraw/zinc/11/53/34/663115334.db2.gz KNDWSNNISKXDCW-UHFFFAOYSA-N 2 2 382.917 2.707 20 0 GFADLP Brc1cnc2n1C[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000898725228 663661522 /nfs/dbraw/zinc/66/15/22/663661522.db2.gz RYOWQRLQZSCNQU-AWEZNQCLSA-N 2 2 376.302 2.614 20 0 GFADLP Nc1nc(Br)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929764255 664757328 /nfs/dbraw/zinc/75/73/28/664757328.db2.gz RQWCSPYFLQNSDN-UHFFFAOYSA-N 2 2 383.334 2.503 20 0 GFADLP [NH3+]C1([C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621842 719116015 /nfs/dbraw/zinc/11/60/15/719116015.db2.gz BDOSTAZOVRIZKP-PKOBYXMFSA-N 2 2 381.499 2.548 20 0 GFADLP [NH3+]C1([C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2CF)CC1 ZINC001164621842 719116023 /nfs/dbraw/zinc/11/60/23/719116023.db2.gz BDOSTAZOVRIZKP-PKOBYXMFSA-N 2 2 381.499 2.548 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)C2 ZINC001164815623 720184694 /nfs/dbraw/zinc/18/46/94/720184694.db2.gz IPOXIRDOAKTCNP-LEDOBFOHSA-N 2 2 399.583 2.898 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)C2 ZINC001164815623 720184696 /nfs/dbraw/zinc/18/46/96/720184696.db2.gz IPOXIRDOAKTCNP-LEDOBFOHSA-N 2 2 399.583 2.898 20 0 GFADLP Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)C)[nH+]1 ZINC001164819596 720294661 /nfs/dbraw/zinc/29/46/61/720294661.db2.gz DQTXVGXLUJHAPS-PMACEKPBSA-N 2 2 385.556 2.820 20 0 GFADLP Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC001164830709 720344939 /nfs/dbraw/zinc/34/49/39/720344939.db2.gz WPWUVVGYFRJCGH-OALUTQOASA-N 2 2 383.540 2.574 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2)CC1 ZINC001164725324 720472250 /nfs/dbraw/zinc/47/22/50/720472250.db2.gz JOYIALITIRMLHC-VXKWHMMOSA-N 3 2 393.535 2.803 20 0 GFADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725324 720472252 /nfs/dbraw/zinc/47/22/52/720472252.db2.gz JOYIALITIRMLHC-VXKWHMMOSA-N 3 2 393.535 2.803 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc[nH+]1 ZINC001164771434 721169463 /nfs/dbraw/zinc/16/94/63/721169463.db2.gz PRZCRQYINXNBMS-PMACEKPBSA-N 2 2 397.571 2.795 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc[nH+]1 ZINC001164771434 721169466 /nfs/dbraw/zinc/16/94/66/721169466.db2.gz PRZCRQYINXNBMS-PMACEKPBSA-N 2 2 397.571 2.795 20 0 GFADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164944968 721972809 /nfs/dbraw/zinc/97/28/09/721972809.db2.gz LGGQSPRTIOWGKB-UHFFFAOYSA-N 2 2 376.504 2.541 20 0 GFADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164944968 721972812 /nfs/dbraw/zinc/97/28/12/721972812.db2.gz LGGQSPRTIOWGKB-UHFFFAOYSA-N 2 2 376.504 2.541 20 0 GFADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)cc1 ZINC000359864710 206265613 /nfs/dbraw/zinc/26/56/13/206265613.db2.gz BPOMIPMQCKAHOQ-UHFFFAOYSA-N 2 2 381.480 2.863 20 0 GFADLP O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)C1 ZINC000359866484 206266297 /nfs/dbraw/zinc/26/62/97/206266297.db2.gz IAUXBGCYOSJBAD-SFHVURJKSA-N 2 2 389.459 2.687 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000127456296 551340872 /nfs/dbraw/zinc/34/08/72/551340872.db2.gz RLLDPGNXJQVXGV-UHFFFAOYSA-N 2 2 385.339 2.864 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000128564530 551350451 /nfs/dbraw/zinc/35/04/51/551350451.db2.gz LOJOURGBWDTYDR-AWEZNQCLSA-N 2 2 381.263 2.844 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000128564530 551350452 /nfs/dbraw/zinc/35/04/52/551350452.db2.gz LOJOURGBWDTYDR-AWEZNQCLSA-N 2 2 381.263 2.844 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133811235 551384308 /nfs/dbraw/zinc/38/43/08/551384308.db2.gz FYCFRXJVGNRSBM-HZPDHXFCSA-N 2 2 385.936 2.655 20 0 GFADLP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000133811235 551384310 /nfs/dbraw/zinc/38/43/10/551384310.db2.gz FYCFRXJVGNRSBM-HZPDHXFCSA-N 2 2 385.936 2.655 20 0 GFADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000183919666 552322505 /nfs/dbraw/zinc/32/25/05/552322505.db2.gz ADRIYLHBVKOOCC-OAHLLOKOSA-N 2 2 378.567 2.584 20 0 GFADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nccs1 ZINC000183919666 552322507 /nfs/dbraw/zinc/32/25/07/552322507.db2.gz ADRIYLHBVKOOCC-OAHLLOKOSA-N 2 2 378.567 2.584 20 0 GFADLP CC[C@@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000185956596 552375359 /nfs/dbraw/zinc/37/53/59/552375359.db2.gz ZYEONXDHAKGUSK-VXGBXAGGSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042069 564354604 /nfs/dbraw/zinc/35/46/04/564354604.db2.gz AQIOMVIKKZHMRY-LRDDRELGSA-N 2 2 386.277 2.742 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042069 564354613 /nfs/dbraw/zinc/35/46/13/564354613.db2.gz AQIOMVIKKZHMRY-LRDDRELGSA-N 2 2 386.277 2.742 20 0 GFADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000418300374 563215670 /nfs/dbraw/zinc/21/56/70/563215670.db2.gz VRIQNECKUPJGCY-UHFFFAOYSA-N 2 2 378.929 2.854 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418553751 563219918 /nfs/dbraw/zinc/21/99/18/563219918.db2.gz MVBVVIBKBNJZOM-YOEHRIQHSA-N 2 2 397.361 2.965 20 0 GFADLP C[C@@H](CCC[NH3+])NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418690708 563222166 /nfs/dbraw/zinc/22/21/66/563222166.db2.gz PSYYZRJNTUWIDU-ZDUSSCGKSA-N 2 2 398.305 2.578 20 0 GFADLP Cc1cc(I)ccc1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363036 563263119 /nfs/dbraw/zinc/26/31/19/563263119.db2.gz NQEJACLDRYHWCN-ZDUSSCGKSA-N 2 2 389.281 2.501 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787275 563317583 /nfs/dbraw/zinc/31/75/83/563317583.db2.gz XGBHJTXHAKCAJC-ZIAGYGMSSA-N 2 2 388.375 2.568 20 0 GFADLP COc1cc(Br)ccc1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423036534 563353170 /nfs/dbraw/zinc/35/31/70/563353170.db2.gz UHCCSTKQFPRGCD-QZTJIDSGSA-N 2 2 383.330 2.747 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000423211935 563358472 /nfs/dbraw/zinc/35/84/72/563358472.db2.gz HXEGAGUOJFIDIW-OUAUKWLOSA-N 2 2 380.341 2.680 20 0 GFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423510936 563362023 /nfs/dbraw/zinc/36/20/23/563362023.db2.gz SXLUGBQENQYSGL-YMTOWFKASA-N 2 2 380.341 2.809 20 0 GFADLP CCC[NH+]1CCC([NH+]2CCN([C@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000376503395 563443778 /nfs/dbraw/zinc/44/37/78/563443778.db2.gz AFUUMRAFGSOOEZ-OAHLLOKOSA-N 2 2 396.377 2.792 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000428241278 563486181 /nfs/dbraw/zinc/48/61/81/563486181.db2.gz DXXMSQFVXHEKHJ-AWEZNQCLSA-N 2 2 387.281 2.975 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369552 563504264 /nfs/dbraw/zinc/50/42/64/563504264.db2.gz KIZAAASWMOZFPX-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369552 563504268 /nfs/dbraw/zinc/50/42/68/563504268.db2.gz KIZAAASWMOZFPX-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP Cc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000378369963 563504545 /nfs/dbraw/zinc/50/45/45/563504545.db2.gz LBZUZDMUTPEDIV-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1Br ZINC000378369963 563504547 /nfs/dbraw/zinc/50/45/47/563504547.db2.gz LBZUZDMUTPEDIV-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366616 563504606 /nfs/dbraw/zinc/50/46/06/563504606.db2.gz BUPYWWPKEORSSE-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@@H]1CN(C(=O)Cc2cccc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366616 563504608 /nfs/dbraw/zinc/50/46/08/563504608.db2.gz BUPYWWPKEORSSE-OAHLLOKOSA-N 2 2 394.357 2.619 20 0 GFADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cscc2Br)CC1 ZINC000285326819 563514505 /nfs/dbraw/zinc/51/45/05/563514505.db2.gz BMVKHBWHSPDMBX-UHFFFAOYSA-N 2 2 381.343 2.947 20 0 GFADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000430216659 563538818 /nfs/dbraw/zinc/53/88/18/563538818.db2.gz FQJIZYRKTNSPEE-KRWDZBQOSA-N 2 2 380.330 2.668 20 0 GFADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000430216659 563538821 /nfs/dbraw/zinc/53/88/21/563538821.db2.gz FQJIZYRKTNSPEE-KRWDZBQOSA-N 2 2 380.330 2.668 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000430594667 563546159 /nfs/dbraw/zinc/54/61/59/563546159.db2.gz LFJNWSDAMQIDCO-CQSZACIVSA-N 2 2 389.281 2.535 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000430594667 563546160 /nfs/dbraw/zinc/54/61/60/563546160.db2.gz LFJNWSDAMQIDCO-CQSZACIVSA-N 2 2 389.281 2.535 20 0 GFADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354602 563581868 /nfs/dbraw/zinc/58/18/68/563581868.db2.gz YQXBUXCAKWAVBT-ZDUSSCGKSA-N 2 2 385.302 2.768 20 0 GFADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc2Br)OCO3)CCCO1 ZINC000432354602 563581871 /nfs/dbraw/zinc/58/18/71/563581871.db2.gz YQXBUXCAKWAVBT-ZDUSSCGKSA-N 2 2 385.302 2.768 20 0 GFADLP C[C@]1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CCC[NH2+]C1 ZINC000332375826 563595810 /nfs/dbraw/zinc/59/58/10/563595810.db2.gz RNCLAKZRDWKSOZ-ZBFHGGJFSA-N 2 2 387.343 2.647 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nn1 ZINC000289867677 563689671 /nfs/dbraw/zinc/68/96/71/563689671.db2.gz LODXPECGLIVSTF-CYBMUJFWSA-N 2 2 376.302 2.604 20 0 GFADLP Brc1ccccc1-n1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nn1 ZINC000289867677 563689672 /nfs/dbraw/zinc/68/96/72/563689672.db2.gz LODXPECGLIVSTF-CYBMUJFWSA-N 2 2 376.302 2.604 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c[nH+]c12 ZINC000438330521 563703516 /nfs/dbraw/zinc/70/35/16/563703516.db2.gz ZCFXHNZQRIKXGC-CQSZACIVSA-N 2 2 395.345 2.682 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c[nH+]c12 ZINC000438330521 563703518 /nfs/dbraw/zinc/70/35/18/563703518.db2.gz ZCFXHNZQRIKXGC-CQSZACIVSA-N 2 2 395.345 2.682 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414303980 563725122 /nfs/dbraw/zinc/72/51/22/563725122.db2.gz CLXLNZJYAYLHDD-AWEZNQCLSA-N 2 2 392.345 2.865 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439448897 563725356 /nfs/dbraw/zinc/72/53/56/563725356.db2.gz FUHAYLFBTWAVCN-HNNXBMFYSA-N 2 2 386.265 2.547 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000439448897 563725359 /nfs/dbraw/zinc/72/53/59/563725359.db2.gz FUHAYLFBTWAVCN-HNNXBMFYSA-N 2 2 386.265 2.547 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849986 563753881 /nfs/dbraw/zinc/75/38/81/563753881.db2.gz RVBOIQDXJFGYPV-CQSZACIVSA-N 2 2 385.302 2.541 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415123943 563760321 /nfs/dbraw/zinc/76/03/21/563760321.db2.gz JXXPTHCOURZJHQ-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415123943 563760324 /nfs/dbraw/zinc/76/03/24/563760324.db2.gz JXXPTHCOURZJHQ-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)C[C@H]3C[NH3+])[nH+]c12 ZINC000418021503 563895362 /nfs/dbraw/zinc/89/53/62/563895362.db2.gz PVGAWLMBIUFOLW-NHYWBVRUSA-N 2 2 394.317 2.674 20 0 GFADLP CCC([NH3+])(CC)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418026526 563896045 /nfs/dbraw/zinc/89/60/45/563896045.db2.gz OSZGOWSSSXOZJZ-UHFFFAOYSA-N 2 2 382.306 2.722 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164661 564240975 /nfs/dbraw/zinc/24/09/75/564240975.db2.gz VZYDHQUOTMURNW-RDTXWAMCSA-N 2 2 394.357 2.858 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000540164661 564240979 /nfs/dbraw/zinc/24/09/79/564240979.db2.gz VZYDHQUOTMURNW-RDTXWAMCSA-N 2 2 394.357 2.858 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000564855338 564252483 /nfs/dbraw/zinc/25/24/83/564252483.db2.gz QOEORSOUVJHQRL-OAGGEKHMSA-N 2 2 397.357 2.540 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533588 564285671 /nfs/dbraw/zinc/28/56/71/564285671.db2.gz ACNUXMVTFQLUJX-UPJWGTAASA-N 2 2 385.302 2.638 20 0 GFADLP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000542408411 564312215 /nfs/dbraw/zinc/31/22/15/564312215.db2.gz NLIBBHLRQJZMGG-UHFFFAOYSA-N 2 2 385.339 2.915 20 0 GFADLP CC[C@H](C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936867 564350914 /nfs/dbraw/zinc/35/09/14/564350914.db2.gz QKXGMTFQIGUXGD-ZDUSSCGKSA-N 2 2 383.290 2.656 20 0 GFADLP CC[C@H](C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936867 564350917 /nfs/dbraw/zinc/35/09/17/564350917.db2.gz QKXGMTFQIGUXGD-ZDUSSCGKSA-N 2 2 383.290 2.656 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480228116 564464916 /nfs/dbraw/zinc/46/49/16/564464916.db2.gz RLMMFOFDBGIMBO-RISCZKNCSA-N 2 2 384.299 2.542 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054711 564466604 /nfs/dbraw/zinc/46/66/04/564466604.db2.gz MRWBUUDXIGRDHG-JKIFEVAISA-N 2 2 391.339 2.570 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000515054711 564466608 /nfs/dbraw/zinc/46/66/08/564466608.db2.gz MRWBUUDXIGRDHG-JKIFEVAISA-N 2 2 391.339 2.570 20 0 GFADLP C[NH2+]C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000569572991 564469521 /nfs/dbraw/zinc/46/95/21/564469521.db2.gz JFNSJJUMNIWTLN-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186002 564496221 /nfs/dbraw/zinc/49/62/21/564496221.db2.gz UKMZCSCNKSGFPN-ZIAGYGMSSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186002 564496227 /nfs/dbraw/zinc/49/62/27/564496227.db2.gz UKMZCSCNKSGFPN-ZIAGYGMSSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186002 564496230 /nfs/dbraw/zinc/49/62/30/564496230.db2.gz UKMZCSCNKSGFPN-ZIAGYGMSSA-N 2 2 377.476 2.877 20 0 GFADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCC(F)(F)F)C2)s1 ZINC000516186002 564496233 /nfs/dbraw/zinc/49/62/33/564496233.db2.gz UKMZCSCNKSGFPN-ZIAGYGMSSA-N 2 2 377.476 2.877 20 0 GFADLP [NH3+][C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647994 564508149 /nfs/dbraw/zinc/50/81/49/564508149.db2.gz HBYPZRLHDNHKBQ-WBVHZDCISA-N 2 2 378.929 2.967 20 0 GFADLP [NH3+][C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647994 564508151 /nfs/dbraw/zinc/50/81/51/564508151.db2.gz HBYPZRLHDNHKBQ-WBVHZDCISA-N 2 2 378.929 2.967 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649471 564518487 /nfs/dbraw/zinc/51/84/87/564518487.db2.gz FIKUOCJMVBQUDM-QEORTHHSSA-N 2 2 385.961 2.914 20 0 GFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649471 564518488 /nfs/dbraw/zinc/51/84/88/564518488.db2.gz FIKUOCJMVBQUDM-QEORTHHSSA-N 2 2 385.961 2.914 20 0 GFADLP O=C(C[C@H]1CCC[NH2+]1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000571079819 564535499 /nfs/dbraw/zinc/53/54/99/564535499.db2.gz IUZZXRRJNMKMJL-MRXNPFEDSA-N 2 2 391.313 2.817 20 0 GFADLP O=C(C[NH2+]Cc1cc(Br)ccc1F)NCC[NH+]1CCCCCC1 ZINC000552064695 564675306 /nfs/dbraw/zinc/67/53/06/564675306.db2.gz IRIOOVICMZYGIL-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NCc3ncc(Br)cc3F)CC2)CC1 ZINC000527650224 564752879 /nfs/dbraw/zinc/75/28/79/564752879.db2.gz OQMNNRXEDXFVSK-UHFFFAOYSA-N 2 2 385.325 2.631 20 0 GFADLP C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C[NH+]1CCOCC1 ZINC000527666892 564754120 /nfs/dbraw/zinc/75/41/20/564754120.db2.gz XCYOFZYPHYANJA-GFCCVEGCSA-N 2 2 399.358 2.959 20 0 GFADLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1Br ZINC000554426197 564760515 /nfs/dbraw/zinc/76/05/15/564760515.db2.gz IGZVMRVKDRNVAI-UHFFFAOYSA-N 2 2 382.346 2.872 20 0 GFADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1Br ZINC000554426197 564760519 /nfs/dbraw/zinc/76/05/19/564760519.db2.gz IGZVMRVKDRNVAI-UHFFFAOYSA-N 2 2 382.346 2.872 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954495 564765206 /nfs/dbraw/zinc/76/52/06/564765206.db2.gz ZSAZBQSSKSBEPU-RHSMWYFYSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527954495 564765207 /nfs/dbraw/zinc/76/52/07/564765207.db2.gz ZSAZBQSSKSBEPU-RHSMWYFYSA-N 2 2 382.346 2.996 20 0 GFADLP C[N@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH+](CCO)CC1 ZINC000491084502 564786598 /nfs/dbraw/zinc/78/65/98/564786598.db2.gz GZWRIVQAYTZFNK-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC[NH+](CCO)CC1 ZINC000491084502 564786599 /nfs/dbraw/zinc/78/65/99/564786599.db2.gz GZWRIVQAYTZFNK-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP Brc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc2c1OCCCO2 ZINC000494410578 564829454 /nfs/dbraw/zinc/82/94/54/564829454.db2.gz GJLHIABPPCNXML-ZDUSSCGKSA-N 2 2 378.270 2.912 20 0 GFADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494985379 564844549 /nfs/dbraw/zinc/84/45/49/564844549.db2.gz JNCCKJLLOJZQJV-GASCZTMLSA-N 2 2 399.377 2.894 20 0 GFADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c(Br)cnn3C)CC2)C[C@H](C)O1 ZINC000494985379 564844553 /nfs/dbraw/zinc/84/45/53/564844553.db2.gz JNCCKJLLOJZQJV-GASCZTMLSA-N 2 2 399.377 2.894 20 0 GFADLP Cc1cc(Br)cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000463592343 564885240 /nfs/dbraw/zinc/88/52/40/564885240.db2.gz RSNYYKHLBNQGLJ-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000463592343 564885245 /nfs/dbraw/zinc/88/52/45/564885245.db2.gz RSNYYKHLBNQGLJ-HNNXBMFYSA-N 2 2 394.357 2.998 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467154787 564957807 /nfs/dbraw/zinc/95/78/07/564957807.db2.gz HPOSOPTXSMFDND-HNNXBMFYSA-N 2 2 380.286 2.792 20 0 GFADLP O=C(C[NH+]1CCC(C(F)(F)F)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533305208 564960473 /nfs/dbraw/zinc/96/04/73/564960473.db2.gz BCKWFRSRBRWMCE-UHFFFAOYSA-N 2 2 375.460 2.667 20 0 GFADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)[NH+]1CCSCC1 ZINC000533548598 564965880 /nfs/dbraw/zinc/96/58/80/564965880.db2.gz FSXJBLFJHLJPQR-HOTGVXAUSA-N 2 2 381.973 2.983 20 0 GFADLP C[NH+](C)[C@@]1(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000467750646 564971205 /nfs/dbraw/zinc/97/12/05/564971205.db2.gz AMJJHGUPXCCURE-IPMKNSEASA-N 2 2 383.989 2.739 20 0 GFADLP C[NH+](C)[C@@]1(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000467750646 564971206 /nfs/dbraw/zinc/97/12/06/564971206.db2.gz AMJJHGUPXCCURE-IPMKNSEASA-N 2 2 383.989 2.739 20 0 GFADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268737 564983495 /nfs/dbraw/zinc/98/34/95/564983495.db2.gz PHNZEUAFAHYIDB-RDJZCZTQSA-N 2 2 378.929 2.716 20 0 GFADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(Cl)cc1 ZINC000534268737 564983499 /nfs/dbraw/zinc/98/34/99/564983499.db2.gz PHNZEUAFAHYIDB-RDJZCZTQSA-N 2 2 378.929 2.716 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175084 565031138 /nfs/dbraw/zinc/03/11/38/565031138.db2.gz CACZAAUYOUVGFE-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000536175084 565031142 /nfs/dbraw/zinc/03/11/42/565031142.db2.gz CACZAAUYOUVGFE-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622353 565076979 /nfs/dbraw/zinc/07/69/79/565076979.db2.gz PYQVSSMHJUQJSG-RHSMWYFYSA-N 2 2 378.314 2.988 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622353 565076983 /nfs/dbraw/zinc/07/69/83/565076983.db2.gz PYQVSSMHJUQJSG-RHSMWYFYSA-N 2 2 378.314 2.988 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1Cl ZINC000659285717 565210940 /nfs/dbraw/zinc/21/09/40/565210940.db2.gz RPSWSFZLJSNNDW-QGZVFWFLSA-N 2 2 386.323 2.577 20 0 GFADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000639139100 565228793 /nfs/dbraw/zinc/22/87/93/565228793.db2.gz FSCWCNKRQQJUSR-HNNXBMFYSA-N 2 2 387.293 2.847 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cc(Br)ccc1F ZINC000617765954 565257847 /nfs/dbraw/zinc/25/78/47/565257847.db2.gz XKRWTYMASORZEB-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cc(Br)ccc1F ZINC000617765954 565257854 /nfs/dbraw/zinc/25/78/54/565257854.db2.gz XKRWTYMASORZEB-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000660692199 565289735 /nfs/dbraw/zinc/28/97/35/565289735.db2.gz JXANDMDXPSQQNE-UHFFFAOYSA-N 2 2 385.346 2.900 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000662667127 565381079 /nfs/dbraw/zinc/38/10/79/565381079.db2.gz YATVACXQCKXBNH-SUMWQHHRSA-N 2 2 386.323 2.577 20 0 GFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363952 565415496 /nfs/dbraw/zinc/41/54/96/565415496.db2.gz DJEGEPXYZWLXGN-KBPBESRZSA-N 2 2 391.737 2.916 20 0 GFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363952 565415501 /nfs/dbraw/zinc/41/55/01/565415501.db2.gz DJEGEPXYZWLXGN-KBPBESRZSA-N 2 2 391.737 2.916 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087217 565542519 /nfs/dbraw/zinc/54/25/19/565542519.db2.gz MYQVXLHENLJGEF-BONVTDFDSA-N 2 2 390.272 2.718 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)c(Br)cc1F ZINC000624087217 565542524 /nfs/dbraw/zinc/54/25/24/565542524.db2.gz MYQVXLHENLJGEF-BONVTDFDSA-N 2 2 390.272 2.718 20 0 GFADLP Cc1ccsc1-c1nsc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666735370 565554600 /nfs/dbraw/zinc/55/46/00/565554600.db2.gz KXCZYQRTLJUYAG-UHFFFAOYSA-N 2 2 382.559 2.580 20 0 GFADLP Cc1ccsc1-c1nsc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000666735370 565554605 /nfs/dbraw/zinc/55/46/05/565554605.db2.gz KXCZYQRTLJUYAG-UHFFFAOYSA-N 2 2 382.559 2.580 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104832 565586837 /nfs/dbraw/zinc/58/68/37/565586837.db2.gz PKGVODJQBNBHQT-AWEZNQCLSA-N 2 2 396.329 2.573 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104832 565586842 /nfs/dbraw/zinc/58/68/42/565586842.db2.gz PKGVODJQBNBHQT-AWEZNQCLSA-N 2 2 396.329 2.573 20 0 GFADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646709144 565615406 /nfs/dbraw/zinc/61/54/06/565615406.db2.gz SBIYVKXYVIXHFH-WMLDXEAASA-N 2 2 380.330 2.654 20 0 GFADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1ccccc1Br ZINC000625547335 565637572 /nfs/dbraw/zinc/63/75/72/565637572.db2.gz PARKTWWFGDMGNP-UHFFFAOYSA-N 2 2 396.329 2.574 20 0 GFADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625555656 565638772 /nfs/dbraw/zinc/63/87/72/565638772.db2.gz WMECJTIHRJLDSH-OAHLLOKOSA-N 2 2 389.323 2.530 20 0 GFADLP COc1ncncc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000647200963 565645482 /nfs/dbraw/zinc/64/54/82/565645482.db2.gz RDPAZOIKORFVBE-UHFFFAOYSA-N 2 2 376.258 2.536 20 0 GFADLP CCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(Br)c1O ZINC000668694098 565661900 /nfs/dbraw/zinc/66/19/00/565661900.db2.gz ZPFPQBRACTVCBN-HNNXBMFYSA-N 2 2 399.329 2.896 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000647942352 565685159 /nfs/dbraw/zinc/68/51/59/565685159.db2.gz BJMLDTXYODDDNP-AWEZNQCLSA-N 2 2 375.847 2.761 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OC(F)F ZINC000647942352 565685163 /nfs/dbraw/zinc/68/51/63/565685163.db2.gz BJMLDTXYODDDNP-AWEZNQCLSA-N 2 2 375.847 2.761 20 0 GFADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ncc1Br ZINC000600120305 565715199 /nfs/dbraw/zinc/71/51/99/565715199.db2.gz JLCPEBKIJZQWDU-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP Brc1cc2c(cc1C[NH+]1CCN(c3cc[nH+]cc3)CC1)OCO2 ZINC000601598306 565794412 /nfs/dbraw/zinc/79/44/12/565794412.db2.gz CDOBCEQIALCWRV-UHFFFAOYSA-N 2 2 376.254 2.895 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564666 565859237 /nfs/dbraw/zinc/85/92/37/565859237.db2.gz IIVVRXNQJFUKHT-XBFCOCLRSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564666 565859241 /nfs/dbraw/zinc/85/92/41/565859241.db2.gz IIVVRXNQJFUKHT-XBFCOCLRSA-N 2 2 377.838 2.804 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566601 565859494 /nfs/dbraw/zinc/85/94/94/565859494.db2.gz MYXPQTAGRSIIFS-OUCADQQQSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566601 565859496 /nfs/dbraw/zinc/85/94/96/565859496.db2.gz MYXPQTAGRSIIFS-OUCADQQQSA-N 2 2 377.838 2.976 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000653079820 565954286 /nfs/dbraw/zinc/95/42/86/565954286.db2.gz OJHAHMSJGVBPSL-AWEZNQCLSA-N 2 2 397.342 2.714 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888510 565981202 /nfs/dbraw/zinc/98/12/02/565981202.db2.gz WQONKALUZKYLLK-SWLSCSKDSA-N 2 2 386.359 2.543 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888510 565981204 /nfs/dbraw/zinc/98/12/04/565981204.db2.gz WQONKALUZKYLLK-SWLSCSKDSA-N 2 2 386.359 2.543 20 0 GFADLP O[C@]1(C[NH2+]Cc2ccc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366736 565983985 /nfs/dbraw/zinc/98/39/85/565983985.db2.gz RWFJQUQALSZCPL-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@]1(C[NH2+]Cc2ccc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366736 565983986 /nfs/dbraw/zinc/98/39/86/565983986.db2.gz RWFJQUQALSZCPL-SFHVURJKSA-N 2 2 376.298 2.571 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911988 566095407 /nfs/dbraw/zinc/09/54/07/566095407.db2.gz QDPUSCKVIMZOQW-BXUZGUMPSA-N 2 2 378.826 2.618 20 0 GFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702277 566155595 /nfs/dbraw/zinc/15/55/95/566155595.db2.gz NOQXOQBQLMKFFB-LSDHHAIUSA-N 2 2 389.309 2.790 20 0 GFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000656702277 566155600 /nfs/dbraw/zinc/15/56/00/566155600.db2.gz NOQXOQBQLMKFFB-LSDHHAIUSA-N 2 2 389.309 2.790 20 0 GFADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](c3ccco3)[NH+](C)C)c2c1 ZINC000737248679 599255601 /nfs/dbraw/zinc/25/56/01/599255601.db2.gz JYIXGPASDYQGMP-INIZCTEOSA-N 2 2 377.452 2.761 20 0 GFADLP Cc1cccc2c(NC[C@H](c3ccc(F)cc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334429 599486243 /nfs/dbraw/zinc/48/62/43/599486243.db2.gz CWZDUFBGHMTFCY-GOSISDBHSA-N 2 2 391.454 2.999 20 0 GFADLP Cc1ccoc1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826315390 608655088 /nfs/dbraw/zinc/65/50/88/608655088.db2.gz IGPFGCNBIYFFIL-UHFFFAOYSA-N 2 2 375.436 2.639 20 0 GFADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)cn1 ZINC000826331101 609328504 /nfs/dbraw/zinc/32/85/04/609328504.db2.gz UXOQEUOWEOEQAE-LBPRGKRZSA-N 2 2 378.415 2.746 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658418 609347548 /nfs/dbraw/zinc/34/75/48/609347548.db2.gz XAOZOFDFMLMDDV-BBRMVZONSA-N 2 2 396.474 2.714 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000834502819 660822749 /nfs/dbraw/zinc/82/27/49/660822749.db2.gz UJCBJXUJZNCEQK-QWHCGFSZSA-N 2 2 375.380 2.828 20 0 GFADLP C[NH+]1CCC(CNC(=O)NC[C@@]2(C)CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000836589567 660918587 /nfs/dbraw/zinc/91/85/87/660918587.db2.gz NJKVKELMQSIOGV-MRXNPFEDSA-N 2 2 391.387 2.820 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326613 654774368 /nfs/dbraw/zinc/77/43/68/654774368.db2.gz XEJLJECEGUYMRL-HIFRSBDPSA-N 2 2 391.313 2.533 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326613 654774373 /nfs/dbraw/zinc/77/43/73/654774373.db2.gz XEJLJECEGUYMRL-HIFRSBDPSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326613 654774375 /nfs/dbraw/zinc/77/43/75/654774375.db2.gz XEJLJECEGUYMRL-HIFRSBDPSA-N 2 2 391.313 2.533 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cn3nc(Br)c(=O)c4ccccc43)CC[C@@H]21 ZINC000124326613 654774378 /nfs/dbraw/zinc/77/43/78/654774378.db2.gz XEJLJECEGUYMRL-HIFRSBDPSA-N 2 2 391.313 2.533 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867798 654989457 /nfs/dbraw/zinc/98/94/57/654989457.db2.gz FRZAJEJZSDBPFQ-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000268867798 654989462 /nfs/dbraw/zinc/98/94/62/654989462.db2.gz FRZAJEJZSDBPFQ-HZPDHXFCSA-N 2 2 396.329 2.592 20 0 GFADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Br)c1 ZINC000271051875 655065073 /nfs/dbraw/zinc/06/50/73/655065073.db2.gz PZVLEBSTIWFJGH-UHFFFAOYSA-N 2 2 390.329 2.623 20 0 GFADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Br)c1 ZINC000271051875 655065075 /nfs/dbraw/zinc/06/50/75/655065075.db2.gz PZVLEBSTIWFJGH-UHFFFAOYSA-N 2 2 390.329 2.623 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000109788905 655152122 /nfs/dbraw/zinc/15/21/22/655152122.db2.gz NZFQLYGVTWSLFD-UHFFFAOYSA-N 2 2 394.357 2.825 20 0 GFADLP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Br)cc(F)c1O ZINC000184983334 655361466 /nfs/dbraw/zinc/36/14/66/655361466.db2.gz GTGUUNPOAIJFMR-GFCCVEGCSA-N 2 2 388.325 2.970 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842511438 661342749 /nfs/dbraw/zinc/34/27/49/661342749.db2.gz ASFXMPNSLHCTES-IEBWSBKVSA-N 2 2 392.341 2.941 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cnc1Cl ZINC000843409504 661380382 /nfs/dbraw/zinc/38/03/82/661380382.db2.gz IYEUWQOARWWIAC-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cnc1Cl ZINC000843409504 661380385 /nfs/dbraw/zinc/38/03/85/661380385.db2.gz IYEUWQOARWWIAC-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227403 661538814 /nfs/dbraw/zinc/53/88/14/661538814.db2.gz QJDQCNHWMATUCD-UHTWSYAYSA-N 2 2 380.842 2.953 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1Cl ZINC000846227403 661538818 /nfs/dbraw/zinc/53/88/18/661538818.db2.gz QJDQCNHWMATUCD-UHTWSYAYSA-N 2 2 380.842 2.953 20 0 GFADLP C[NH+](C)C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214189 661885170 /nfs/dbraw/zinc/88/51/70/661885170.db2.gz XTTPJOGAZIKVDO-WFASDCNBSA-N 2 2 376.444 2.687 20 0 GFADLP C[NH+](C)C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214189 661885172 /nfs/dbraw/zinc/88/51/72/661885172.db2.gz XTTPJOGAZIKVDO-WFASDCNBSA-N 2 2 376.444 2.687 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(Cl)ccc1Br ZINC000877521703 662877971 /nfs/dbraw/zinc/87/79/71/662877971.db2.gz AGQWSVOKUVTQRN-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(Cl)ccc1Br ZINC000877521703 662877972 /nfs/dbraw/zinc/87/79/72/662877972.db2.gz AGQWSVOKUVTQRN-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(Br)no1 ZINC000880569920 662962454 /nfs/dbraw/zinc/96/24/54/662962454.db2.gz LKIZRCIVNBATGW-ZIAGYGMSSA-N 2 2 377.242 2.698 20 0 GFADLP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617426 663881660 /nfs/dbraw/zinc/88/16/60/663881660.db2.gz CSYDDMXMPVEHCO-KRWDZBQOSA-N 2 2 396.329 2.621 20 0 GFADLP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617426 663881664 /nfs/dbraw/zinc/88/16/64/663881664.db2.gz CSYDDMXMPVEHCO-KRWDZBQOSA-N 2 2 396.329 2.621 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1csc(C(F)(F)F)c1 ZINC000925078263 664666299 /nfs/dbraw/zinc/66/62/99/664666299.db2.gz GRPXVKLOBDBTRN-ZFWWWQNUSA-N 2 2 377.476 2.824 20 0 GFADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)c1ccccc1 ZINC000925585031 664673417 /nfs/dbraw/zinc/67/34/17/664673417.db2.gz RKLGFUUEMVHVQD-JCKWVBRZSA-N 2 2 379.298 2.867 20 0 GFADLP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000931483472 664796181 /nfs/dbraw/zinc/79/61/81/664796181.db2.gz BFLOSQVARFUHOI-UHFFFAOYSA-N 2 2 393.272 2.939 20 0 GFADLP FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000934325838 664898993 /nfs/dbraw/zinc/89/89/93/664898993.db2.gz SPTHZMFTZOBYBQ-UHFFFAOYSA-N 2 2 378.196 2.767 20 0 GFADLP FC(F)(F)c1nc(Br)c2n1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000934325838 664898995 /nfs/dbraw/zinc/89/89/95/664898995.db2.gz SPTHZMFTZOBYBQ-UHFFFAOYSA-N 2 2 378.196 2.767 20 0 GFADLP Cc1[nH+]c2c(n1-c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164429957 718949344 /nfs/dbraw/zinc/94/93/44/718949344.db2.gz RCGBLXWOLCNAMK-UHFFFAOYSA-N 2 2 394.910 2.828 20 0 GFADLP C[NH+]1CCN(c2cccc(N3CCC(n4c5ccccc5[nH]c4=O)CC3)[nH+]2)CC1 ZINC001164623063 719129049 /nfs/dbraw/zinc/12/90/49/719129049.db2.gz QKVZEKIQBCMEDW-UHFFFAOYSA-N 2 2 392.507 2.730 20 0 GFADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164659585 719352159 /nfs/dbraw/zinc/35/21/59/719352159.db2.gz RBUGDUVKSVMSBL-UHFFFAOYSA-N 2 2 389.507 2.754 20 0 GFADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc[nH+]c(N)n1)CC2 ZINC001164659585 719352162 /nfs/dbraw/zinc/35/21/62/719352162.db2.gz RBUGDUVKSVMSBL-UHFFFAOYSA-N 2 2 389.507 2.754 20 0 GFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164823716 720381581 /nfs/dbraw/zinc/38/15/81/720381581.db2.gz PUAZXWBJBSTLFN-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164823716 720381590 /nfs/dbraw/zinc/38/15/90/720381590.db2.gz PUAZXWBJBSTLFN-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000359975873 206275144 /nfs/dbraw/zinc/27/51/44/206275144.db2.gz FQXHPBRLTYMAST-UHFFFAOYSA-N 2 2 391.519 2.905 20 0 GFADLP COc1cc2[nH+]c(N3CC[NH+](Cc4ccccc4)CC3)nc(N)c2cc1OC ZINC000013782860 221289713 /nfs/dbraw/zinc/28/97/13/221289713.db2.gz JABYAVHSPNMUGH-UHFFFAOYSA-N 2 2 379.464 2.551 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150826921 551402018 /nfs/dbraw/zinc/40/20/18/551402018.db2.gz XJCRIEIPZFTKDR-INIZCTEOSA-N 2 2 394.357 2.825 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150826921 551402019 /nfs/dbraw/zinc/40/20/19/551402019.db2.gz XJCRIEIPZFTKDR-INIZCTEOSA-N 2 2 394.357 2.825 20 0 GFADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299294 551471658 /nfs/dbraw/zinc/47/16/58/551471658.db2.gz NQNYNUJFPJFPKV-ONGXEEELSA-N 2 2 380.124 2.785 20 0 GFADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183188129 552302791 /nfs/dbraw/zinc/30/27/91/552302791.db2.gz LEOBGSCEFLCUSZ-AWEZNQCLSA-N 2 2 392.301 2.781 20 0 GFADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183188129 552302793 /nfs/dbraw/zinc/30/27/93/552302793.db2.gz LEOBGSCEFLCUSZ-AWEZNQCLSA-N 2 2 392.301 2.781 20 0 GFADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000192781549 552973498 /nfs/dbraw/zinc/97/34/98/552973498.db2.gz BPRCATSWCARZDA-INIZCTEOSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000192781549 552973501 /nfs/dbraw/zinc/97/35/01/552973501.db2.gz BPRCATSWCARZDA-INIZCTEOSA-N 2 2 386.367 2.874 20 0 GFADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000261661576 553155988 /nfs/dbraw/zinc/15/59/88/553155988.db2.gz FFSNZEKUBUUCOL-SFHVURJKSA-N 2 2 380.330 2.710 20 0 GFADLP COc1nccnc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000295422598 563246752 /nfs/dbraw/zinc/24/67/52/563246752.db2.gz NYTQOAKHWAEBHT-UHFFFAOYSA-N 2 2 376.258 2.536 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829146 563257467 /nfs/dbraw/zinc/25/74/67/563257467.db2.gz DUSIKYHTAUBNRJ-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(Br)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829146 563257472 /nfs/dbraw/zinc/25/74/72/563257472.db2.gz DUSIKYHTAUBNRJ-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c2cc1Br ZINC000425219473 563412777 /nfs/dbraw/zinc/41/27/77/563412777.db2.gz AKIWCBWTZNVQQD-ZDUSSCGKSA-N 2 2 392.297 2.703 20 0 GFADLP COc1cc2[nH+]ccc(NC[C@H]3C[N@H+](C4CC4)CCO3)c2cc1Br ZINC000425219473 563412781 /nfs/dbraw/zinc/41/27/81/563412781.db2.gz AKIWCBWTZNVQQD-ZDUSSCGKSA-N 2 2 392.297 2.703 20 0 GFADLP COC(=O)c1sc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1Cl ZINC000301959071 563416767 /nfs/dbraw/zinc/41/67/67/563416767.db2.gz PCKISPBMHBYRMI-UHFFFAOYSA-N 2 2 386.949 2.945 20 0 GFADLP Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000376477854 563444073 /nfs/dbraw/zinc/44/40/73/563444073.db2.gz NFZCJTJRKCOYCR-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000376477854 563444076 /nfs/dbraw/zinc/44/40/76/563444076.db2.gz NFZCJTJRKCOYCR-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000286194256 563551615 /nfs/dbraw/zinc/55/16/15/563551615.db2.gz AJQUVQMYPJPQMQ-OAHLLOKOSA-N 2 2 393.329 2.802 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362826 563582205 /nfs/dbraw/zinc/58/22/05/563582205.db2.gz PIXKUGZKZFJXJV-CQSZACIVSA-N 2 2 383.330 2.975 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362826 563582208 /nfs/dbraw/zinc/58/22/08/563582208.db2.gz PIXKUGZKZFJXJV-CQSZACIVSA-N 2 2 383.330 2.975 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)[nH+]cc1Br ZINC000332271682 563589751 /nfs/dbraw/zinc/58/97/51/563589751.db2.gz DQBLXOYCZJZTJW-LBPRGKRZSA-N 2 2 384.322 2.858 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]cc1Br ZINC000333650181 563637937 /nfs/dbraw/zinc/63/79/37/563637937.db2.gz KGBYMRJVCYBBDH-OCCSQVGLSA-N 2 2 396.333 2.858 20 0 GFADLP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]cc1Br ZINC000333650181 563637941 /nfs/dbraw/zinc/63/79/41/563637941.db2.gz KGBYMRJVCYBBDH-OCCSQVGLSA-N 2 2 396.333 2.858 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)[C@H]3CCC[NH2+]CC3)[nH+]c12 ZINC000333738066 563640679 /nfs/dbraw/zinc/64/06/79/563640679.db2.gz INEKKBRHVRWCMJ-HNNXBMFYSA-N 2 2 394.317 2.689 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccccn2c1Br ZINC000289552848 563678916 /nfs/dbraw/zinc/67/89/16/563678916.db2.gz XWDRZEAMVAPSDN-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccccn2c1Br ZINC000289552848 563678920 /nfs/dbraw/zinc/67/89/20/563678920.db2.gz XWDRZEAMVAPSDN-UHFFFAOYSA-N 2 2 394.361 2.555 20 0 GFADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289634830 563681408 /nfs/dbraw/zinc/68/14/08/563681408.db2.gz GPDLJLZOVGTUFU-AWEZNQCLSA-N 2 2 391.151 2.547 20 0 GFADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289634830 563681411 /nfs/dbraw/zinc/68/14/11/563681411.db2.gz GPDLJLZOVGTUFU-AWEZNQCLSA-N 2 2 391.151 2.547 20 0 GFADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)[NH+](C)C)cc1 ZINC000414305218 563725204 /nfs/dbraw/zinc/72/52/04/563725204.db2.gz PSWJTSQDRMDQOP-KRWDZBQOSA-N 2 2 381.929 2.688 20 0 GFADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000363685385 563729874 /nfs/dbraw/zinc/72/98/74/563729874.db2.gz GTQRVENPXSHRHD-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000363685385 563729880 /nfs/dbraw/zinc/72/98/80/563729880.db2.gz GTQRVENPXSHRHD-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414394258 563732976 /nfs/dbraw/zinc/73/29/76/563732976.db2.gz FMAVHXLRKZBNHE-UHFFFAOYSA-N 2 2 388.599 2.722 20 0 GFADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414394258 563732978 /nfs/dbraw/zinc/73/29/78/563732978.db2.gz FMAVHXLRKZBNHE-UHFFFAOYSA-N 2 2 388.599 2.722 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944604 563737442 /nfs/dbraw/zinc/73/74/42/563737442.db2.gz HZCOSBCUSBHAOJ-XJKSGUPXSA-N 2 2 392.345 2.886 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000363944604 563737445 /nfs/dbraw/zinc/73/74/45/563737445.db2.gz HZCOSBCUSBHAOJ-XJKSGUPXSA-N 2 2 392.345 2.886 20 0 GFADLP Cc1ccc(Br)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000414514449 563746129 /nfs/dbraw/zinc/74/61/29/563746129.db2.gz LPVVQKXWZXTKDW-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414873784 563753308 /nfs/dbraw/zinc/75/33/08/563753308.db2.gz HBPBDHPDFXQVRK-UHFFFAOYSA-N 2 2 381.929 2.798 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415124185 563760605 /nfs/dbraw/zinc/76/06/05/563760605.db2.gz JXXPTHCOURZJHQ-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)nn1 ZINC000415124185 563760607 /nfs/dbraw/zinc/76/06/07/563760607.db2.gz JXXPTHCOURZJHQ-ZDUSSCGKSA-N 2 2 384.709 2.990 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390387 564184672 /nfs/dbraw/zinc/18/46/72/564184672.db2.gz GQEYIYFCHICCMK-OAHLLOKOSA-N 2 2 399.329 2.547 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000449390387 564184676 /nfs/dbraw/zinc/18/46/76/564184676.db2.gz GQEYIYFCHICCMK-OAHLLOKOSA-N 2 2 399.329 2.547 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392913 564184715 /nfs/dbraw/zinc/18/47/15/564184715.db2.gz AERFINVWQZNUHO-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449392913 564184717 /nfs/dbraw/zinc/18/47/17/564184717.db2.gz AERFINVWQZNUHO-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nn(C)cc2Br)CC1 ZINC000449487740 564189334 /nfs/dbraw/zinc/18/93/34/564189334.db2.gz YXSCXROGTGFCEP-UHFFFAOYSA-N 2 2 392.345 2.614 20 0 GFADLP Ic1cnc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000508515838 564265382 /nfs/dbraw/zinc/26/53/82/564265382.db2.gz GJXPVDAOABVJAX-UHFFFAOYSA-N 2 2 397.245 3.000 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000475116831 564300249 /nfs/dbraw/zinc/30/02/49/564300249.db2.gz GMBSXKOHMUNMKX-OAHLLOKOSA-N 2 2 394.317 2.723 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000475116831 564300253 /nfs/dbraw/zinc/30/02/53/564300253.db2.gz GMBSXKOHMUNMKX-OAHLLOKOSA-N 2 2 394.317 2.723 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC000566673964 564338444 /nfs/dbraw/zinc/33/84/44/564338444.db2.gz JTEVDXYEKJYHNH-HSMVNMDESA-N 2 2 391.737 2.662 20 0 GFADLP Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(C)s1 ZINC000543240202 564344177 /nfs/dbraw/zinc/34/41/77/564344177.db2.gz SFUJPKUGXIMKHP-UHFFFAOYSA-N 2 2 396.563 2.680 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000567685025 564382949 /nfs/dbraw/zinc/38/29/49/564382949.db2.gz UDKLJOYXXKFPNY-WPGHFRTFSA-N 2 2 387.293 2.543 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000567685025 564382953 /nfs/dbraw/zinc/38/29/53/564382953.db2.gz UDKLJOYXXKFPNY-WPGHFRTFSA-N 2 2 387.293 2.543 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC000511929281 564386107 /nfs/dbraw/zinc/38/61/07/564386107.db2.gz ZRTMRZJRNWUZGP-HNNXBMFYSA-N 2 2 382.892 2.892 20 0 GFADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)s1 ZINC000546055985 564442069 /nfs/dbraw/zinc/44/20/69/564442069.db2.gz UMTUMAGIFVVAOP-UHFFFAOYSA-N 2 2 382.555 2.529 20 0 GFADLP C[N@H+]1CC=C(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176432 564462614 /nfs/dbraw/zinc/46/26/14/564462614.db2.gz DIMOORJTWOTYMD-OAHLLOKOSA-N 2 2 385.327 2.519 20 0 GFADLP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)CC1 ZINC000480176432 564462617 /nfs/dbraw/zinc/46/26/17/564462617.db2.gz DIMOORJTWOTYMD-OAHLLOKOSA-N 2 2 385.327 2.519 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000546823354 564470018 /nfs/dbraw/zinc/47/00/18/564470018.db2.gz LQLXNUXAPTWXGF-BETUJISGSA-N 2 2 379.302 2.894 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000546823354 564470019 /nfs/dbraw/zinc/47/00/19/564470019.db2.gz LQLXNUXAPTWXGF-BETUJISGSA-N 2 2 379.302 2.894 20 0 GFADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278368 564481640 /nfs/dbraw/zinc/48/16/40/564481640.db2.gz GMCWKSOFSJMCQM-YGRLFVJLSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278368 564481643 /nfs/dbraw/zinc/48/16/43/564481643.db2.gz GMCWKSOFSJMCQM-YGRLFVJLSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762715 564511382 /nfs/dbraw/zinc/51/13/82/564511382.db2.gz KZZJVDAGBLXMPM-LPOOJTIXSA-N 2 2 397.357 2.755 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@H](C)O1 ZINC000516762715 564511384 /nfs/dbraw/zinc/51/13/84/564511384.db2.gz KZZJVDAGBLXMPM-LPOOJTIXSA-N 2 2 397.357 2.755 20 0 GFADLP C[N@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000571209280 564540623 /nfs/dbraw/zinc/54/06/23/564540623.db2.gz XUJQUHZMEJOXHR-UHFFFAOYSA-N 2 2 380.208 2.828 20 0 GFADLP C[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC([NH3+])C1 ZINC000571209280 564540626 /nfs/dbraw/zinc/54/06/26/564540626.db2.gz XUJQUHZMEJOXHR-UHFFFAOYSA-N 2 2 380.208 2.828 20 0 GFADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000519825885 564592285 /nfs/dbraw/zinc/59/22/85/564592285.db2.gz NTSMUBDQBAYGOJ-KEYYUXOJSA-N 2 2 380.330 2.782 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 ZINC000521491383 564628623 /nfs/dbraw/zinc/62/86/23/564628623.db2.gz QXGQIHQNZNEYDP-NFAWXSAZSA-N 2 2 383.945 2.552 20 0 GFADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000521622824 564632504 /nfs/dbraw/zinc/63/25/04/564632504.db2.gz FGLYPDPNIKNDOV-FUHWJXTLSA-N 2 2 398.320 2.746 20 0 GFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573829589 564655892 /nfs/dbraw/zinc/65/58/92/564655892.db2.gz QWEQLDBNJQRGEZ-INIZCTEOSA-N 2 2 384.933 2.966 20 0 GFADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000574571308 564679915 /nfs/dbraw/zinc/67/99/15/564679915.db2.gz DTQVHXKCQCZBNI-XYPHTWIQSA-N 2 2 380.330 2.830 20 0 GFADLP C[NH+]1CCC(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000553153890 564711217 /nfs/dbraw/zinc/71/12/17/564711217.db2.gz OLNMNGCPYFEYET-UHFFFAOYSA-N 2 2 395.301 2.609 20 0 GFADLP FC(F)(F)c1cnc(NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000578348166 564743579 /nfs/dbraw/zinc/74/35/79/564743579.db2.gz QTKMGYNUZRMFBC-ZIAGYGMSSA-N 2 2 378.826 2.522 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711912 564757547 /nfs/dbraw/zinc/75/75/47/564757547.db2.gz BUHCZDFAEFGAGQ-ZDUSSCGKSA-N 2 2 399.358 2.837 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527711912 564757549 /nfs/dbraw/zinc/75/75/49/564757549.db2.gz BUHCZDFAEFGAGQ-ZDUSSCGKSA-N 2 2 399.358 2.837 20 0 GFADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(Cl)cc1Br ZINC000527729665 564758806 /nfs/dbraw/zinc/75/88/06/564758806.db2.gz LMQKXYWEBRZIDU-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(Cl)cc1Br ZINC000527729665 564758810 /nfs/dbraw/zinc/75/88/10/564758810.db2.gz LMQKXYWEBRZIDU-UHFFFAOYSA-N 2 2 375.742 2.567 20 0 GFADLP C[NH2+]C[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000580643491 564767958 /nfs/dbraw/zinc/76/79/58/564767958.db2.gz DLEAJGVSELZDCK-AWEZNQCLSA-N 2 2 379.302 2.530 20 0 GFADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cc(Br)cs1 ZINC000493931809 564814048 /nfs/dbraw/zinc/81/40/48/564814048.db2.gz AABDALLXFIEPQC-AWEZNQCLSA-N 2 2 390.391 2.551 20 0 GFADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000493962516 564814852 /nfs/dbraw/zinc/81/48/52/564814852.db2.gz UYQQGQLSKTYCMJ-CVEARBPZSA-N 2 2 380.330 2.674 20 0 GFADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000493962516 564814855 /nfs/dbraw/zinc/81/48/55/564814855.db2.gz UYQQGQLSKTYCMJ-CVEARBPZSA-N 2 2 380.330 2.674 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680268 564837210 /nfs/dbraw/zinc/83/72/10/564837210.db2.gz MYDXNGITEWBAPS-KDOFPFPSSA-N 2 2 394.357 2.870 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680268 564837215 /nfs/dbraw/zinc/83/72/15/564837215.db2.gz MYDXNGITEWBAPS-KDOFPFPSSA-N 2 2 394.357 2.870 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876243 564844883 /nfs/dbraw/zinc/84/48/83/564844883.db2.gz KZVFNBUKZFRNRF-JSGCOSHPSA-N 2 2 379.302 2.671 20 0 GFADLP C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496737643 564861369 /nfs/dbraw/zinc/86/13/69/564861369.db2.gz KWRBJBVFRHSUGM-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]1CN(C(=O)c2cccc(F)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496737643 564861373 /nfs/dbraw/zinc/86/13/73/564861373.db2.gz KWRBJBVFRHSUGM-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1C[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H](C)S1 ZINC000532969569 564950797 /nfs/dbraw/zinc/95/07/97/564950797.db2.gz GAIAOGDEMMJMTI-HZPDHXFCSA-N 2 2 379.595 3.000 20 0 GFADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291652 564960651 /nfs/dbraw/zinc/96/06/51/564960651.db2.gz TYHSCFLUEXXKNR-AWEZNQCLSA-N 2 2 386.323 2.976 20 0 GFADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1c(Cl)cccc1Cl ZINC000533291652 564960652 /nfs/dbraw/zinc/96/06/52/564960652.db2.gz TYHSCFLUEXXKNR-AWEZNQCLSA-N 2 2 386.323 2.976 20 0 GFADLP C[NH+](C)[C@]1(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000467750644 564971224 /nfs/dbraw/zinc/97/12/24/564971224.db2.gz AMJJHGUPXCCURE-FHWLQOOXSA-N 2 2 383.989 2.739 20 0 GFADLP C[NH+](C)[C@]1(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000467750644 564971226 /nfs/dbraw/zinc/97/12/26/564971226.db2.gz AMJJHGUPXCCURE-FHWLQOOXSA-N 2 2 383.989 2.739 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1CCSCC1 ZINC000468202218 564980010 /nfs/dbraw/zinc/98/00/10/564980010.db2.gz PFAUHEIZANOYAJ-LBPRGKRZSA-N 2 2 386.359 2.887 20 0 GFADLP C[C@@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[NH+]1CCOCC1 ZINC000534352381 564987161 /nfs/dbraw/zinc/98/71/61/564987161.db2.gz KZKGNSRNACGHCT-ZDUSSCGKSA-N 2 2 384.311 2.632 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175085 565031078 /nfs/dbraw/zinc/03/10/78/565031078.db2.gz CACZAAUYOUVGFE-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000536175085 565031083 /nfs/dbraw/zinc/03/10/83/565031083.db2.gz CACZAAUYOUVGFE-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cccc(Br)c1 ZINC000562987303 565050819 /nfs/dbraw/zinc/05/08/19/565050819.db2.gz GCRJZUNWMXRRKA-INIZCTEOSA-N 2 2 394.313 2.554 20 0 GFADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151318 565186382 /nfs/dbraw/zinc/18/63/82/565186382.db2.gz CFRDFDQAITWHTC-HNNXBMFYSA-N 2 2 385.599 2.872 20 0 GFADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151318 565186386 /nfs/dbraw/zinc/18/63/86/565186386.db2.gz CFRDFDQAITWHTC-HNNXBMFYSA-N 2 2 385.599 2.872 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659974076 565236158 /nfs/dbraw/zinc/23/61/58/565236158.db2.gz KMUWOHYZOAJXNL-UHFFFAOYSA-N 2 2 398.345 2.930 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488637 565247743 /nfs/dbraw/zinc/24/77/43/565247743.db2.gz AEMCOTMXQCOJSB-KRWDZBQOSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488637 565247748 /nfs/dbraw/zinc/24/77/48/565247748.db2.gz AEMCOTMXQCOJSB-KRWDZBQOSA-N 2 2 391.339 2.512 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncsc3Br)CC2)CC1 ZINC000660833624 565295490 /nfs/dbraw/zinc/29/54/90/565295490.db2.gz HBIIQUKYYJCQKX-UHFFFAOYSA-N 2 2 387.391 2.898 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncsc3Br)CC2)CC1 ZINC000660833624 565295493 /nfs/dbraw/zinc/29/54/93/565295493.db2.gz HBIIQUKYYJCQKX-UHFFFAOYSA-N 2 2 387.391 2.898 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(n2cc[nH+]c2)CC1 ZINC000662426855 565367715 /nfs/dbraw/zinc/36/77/15/565367715.db2.gz FWAMHUPRZIKKFR-UHFFFAOYSA-N 2 2 381.299 2.788 20 0 GFADLP O=C(N1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666934 565380539 /nfs/dbraw/zinc/38/05/39/565380539.db2.gz QFEOIMLIMMAEBA-MRXNPFEDSA-N 2 2 375.822 2.526 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000641789078 565399406 /nfs/dbraw/zinc/39/94/06/565399406.db2.gz YJQFXQLABWKCTE-VQIMIIECSA-N 2 2 396.373 2.896 20 0 GFADLP C[C@H](CC[NH+](C)C)Nc1nc[nH+]c(N[C@@H](C)CC[NH+](C)C)c1Br ZINC000663453798 565423339 /nfs/dbraw/zinc/42/33/39/565423339.db2.gz WLMFKHMEEBCSNT-BETUJISGSA-N 3 2 387.370 2.743 20 0 GFADLP C[C@H](CC[NH+](C)C)Nc1[nH+]cnc(N[C@@H](C)CC[NH+](C)C)c1Br ZINC000663453798 565423343 /nfs/dbraw/zinc/42/33/43/565423343.db2.gz WLMFKHMEEBCSNT-BETUJISGSA-N 3 2 387.370 2.743 20 0 GFADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205989 565424670 /nfs/dbraw/zinc/42/46/70/565424670.db2.gz RAWDXEJYTFXSPU-PBHICJAKSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205989 565424674 /nfs/dbraw/zinc/42/46/74/565424674.db2.gz RAWDXEJYTFXSPU-PBHICJAKSA-N 2 2 394.357 2.837 20 0 GFADLP C[N@@H+]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)C1 ZINC000644887857 565501884 /nfs/dbraw/zinc/50/18/84/565501884.db2.gz JCEDJOKEDGHFTA-INIZCTEOSA-N 2 2 391.313 2.626 20 0 GFADLP C[N@H+]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)C1 ZINC000644887857 565501887 /nfs/dbraw/zinc/50/18/87/565501887.db2.gz JCEDJOKEDGHFTA-INIZCTEOSA-N 2 2 391.313 2.626 20 0 GFADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646652607 565612069 /nfs/dbraw/zinc/61/20/69/565612069.db2.gz UBTPKNHNWZUSSB-IAGOWNOFSA-N 2 2 380.330 2.844 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162084 565692144 /nfs/dbraw/zinc/69/21/44/565692144.db2.gz IGWCWZLECCLWAB-BYCMXARLSA-N 2 2 375.822 2.585 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162084 565692148 /nfs/dbraw/zinc/69/21/48/565692148.db2.gz IGWCWZLECCLWAB-BYCMXARLSA-N 2 2 375.822 2.585 20 0 GFADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162085 565692549 /nfs/dbraw/zinc/69/25/49/565692549.db2.gz IGWCWZLECCLWAB-CQDKDKBSSA-N 2 2 375.822 2.585 20 0 GFADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162085 565692553 /nfs/dbraw/zinc/69/25/53/565692553.db2.gz IGWCWZLECCLWAB-CQDKDKBSSA-N 2 2 375.822 2.585 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300528 565761043 /nfs/dbraw/zinc/76/10/43/565761043.db2.gz OPBLMMNSPNSWAB-CABCVRRESA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300528 565761047 /nfs/dbraw/zinc/76/10/47/565761047.db2.gz OPBLMMNSPNSWAB-CABCVRRESA-N 2 2 376.444 2.825 20 0 GFADLP CN(C(=O)c1cc(Br)cs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478172 565785969 /nfs/dbraw/zinc/78/59/69/565785969.db2.gz XDUBERCEISEAOR-AWEZNQCLSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1cc(Br)cs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478172 565785976 /nfs/dbraw/zinc/78/59/76/565785976.db2.gz XDUBERCEISEAOR-AWEZNQCLSA-N 2 2 386.359 2.751 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798700 565846873 /nfs/dbraw/zinc/84/68/73/565846873.db2.gz ITKLQGZGKMCMGZ-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000673798700 565846879 /nfs/dbraw/zinc/84/68/79/565846879.db2.gz ITKLQGZGKMCMGZ-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)c3ccc(F)cc32)CC1 ZINC000651324983 565856761 /nfs/dbraw/zinc/85/67/61/565856761.db2.gz WSNMPOLOSHYSBK-UHFFFAOYSA-N 2 2 395.320 3.574 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313927 565856909 /nfs/dbraw/zinc/85/69/09/565856909.db2.gz OLDOVUJTLLPZOF-CYBMUJFWSA-N 2 2 377.945 3.439 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(-c4ccc(Cl)s4)nn3)C2)CC1 ZINC000651313927 565856911 /nfs/dbraw/zinc/85/69/11/565856911.db2.gz OLDOVUJTLLPZOF-CYBMUJFWSA-N 2 2 377.945 3.439 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345438 565923401 /nfs/dbraw/zinc/92/34/01/565923401.db2.gz BWJPNCUELRBTER-CPUCHLNUSA-N 2 2 396.329 2.606 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345438 565923405 /nfs/dbraw/zinc/92/34/05/565923405.db2.gz BWJPNCUELRBTER-CPUCHLNUSA-N 2 2 396.329 2.606 20 0 GFADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)CC1 ZINC000631048198 565934904 /nfs/dbraw/zinc/93/49/04/565934904.db2.gz UOUBZGROKSXVIK-UHFFFAOYSA-N 2 2 389.341 2.881 20 0 GFADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)CC1 ZINC000631048198 565934913 /nfs/dbraw/zinc/93/49/13/565934913.db2.gz UOUBZGROKSXVIK-UHFFFAOYSA-N 2 2 389.341 2.881 20 0 GFADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631090642 565939468 /nfs/dbraw/zinc/93/94/68/565939468.db2.gz HPLIQCXZARTTBE-HOTGVXAUSA-N 2 2 388.737 2.965 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716807 565946734 /nfs/dbraw/zinc/94/67/34/565946734.db2.gz YTGXEQLLMIXDBJ-IXDOHACOSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716807 565946736 /nfs/dbraw/zinc/94/67/36/565946736.db2.gz YTGXEQLLMIXDBJ-IXDOHACOSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000653057874 565952864 /nfs/dbraw/zinc/95/28/64/565952864.db2.gz UNFWMQIWXBFETK-GFCCVEGCSA-N 2 2 383.315 2.790 20 0 GFADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516801 606895420 /nfs/dbraw/zinc/89/54/20/606895420.db2.gz CCHGNOCAXPIBPH-KRWDZBQOSA-N 2 2 381.484 2.732 20 0 GFADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516801 606895422 /nfs/dbraw/zinc/89/54/22/606895422.db2.gz CCHGNOCAXPIBPH-KRWDZBQOSA-N 2 2 381.484 2.732 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826523219 608245114 /nfs/dbraw/zinc/24/51/14/608245114.db2.gz FOLCJNFTBCICCQ-UHFFFAOYSA-N 2 2 386.463 2.560 20 0 GFADLP Cc1cc(Br)nc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000836760997 660939633 /nfs/dbraw/zinc/93/96/33/660939633.db2.gz XJJHPKOOPNFRKV-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1cc(Br)nc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000836760997 660939638 /nfs/dbraw/zinc/93/96/38/660939638.db2.gz XJJHPKOOPNFRKV-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP O[C@H](COc1cccc(Br)c1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051951810 654731030 /nfs/dbraw/zinc/73/10/30/654731030.db2.gz BPOMVHNVSYVGNP-KRWDZBQOSA-N 2 2 383.330 2.749 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000119977803 655323754 /nfs/dbraw/zinc/32/37/54/655323754.db2.gz RYTYLIFQJMEWNM-UHFFFAOYSA-N 2 2 399.377 2.930 20 0 GFADLP CC(C)n1cc(Br)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000119977803 655323756 /nfs/dbraw/zinc/32/37/56/655323756.db2.gz RYTYLIFQJMEWNM-UHFFFAOYSA-N 2 2 399.377 2.930 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172926 655436722 /nfs/dbraw/zinc/43/67/22/655436722.db2.gz XLANGJDGKOINJT-XPKDYRNWSA-N 2 2 386.323 2.845 20 0 GFADLP O=C(NCC1=CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000579831940 655504400 /nfs/dbraw/zinc/50/44/00/655504400.db2.gz SSTHOEVQKDAMDD-KRWDZBQOSA-N 2 2 378.314 2.622 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\c3ccc(Br)o3)CC2)CC1 ZINC000747773877 655783470 /nfs/dbraw/zinc/78/34/70/655783470.db2.gz KGQSSBHYJQHKOQ-HYXAFXHYSA-N 2 2 396.329 2.730 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)c1C ZINC000852798280 661874676 /nfs/dbraw/zinc/87/46/76/661874676.db2.gz IGLPMDNPDBOWMB-HNNXBMFYSA-N 2 2 378.270 2.786 20 0 GFADLP C[C@H](Sc1nc2ccccc2s1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415516 661991222 /nfs/dbraw/zinc/99/12/22/661991222.db2.gz XYLNXDWLFLLTCV-AWEZNQCLSA-N 2 2 380.583 2.777 20 0 GFADLP C[C@H](Sc1nc2ccccc2s1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415516 661991232 /nfs/dbraw/zinc/99/12/32/661991232.db2.gz XYLNXDWLFLLTCV-AWEZNQCLSA-N 2 2 380.583 2.777 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)s1 ZINC000858244865 662105902 /nfs/dbraw/zinc/10/59/02/662105902.db2.gz JQFXCPMZDAWKGB-MRXNPFEDSA-N 2 2 380.945 2.853 20 0 GFADLP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617428 663881733 /nfs/dbraw/zinc/88/17/33/663881733.db2.gz CSYDDMXMPVEHCO-QGZVFWFLSA-N 2 2 396.329 2.621 20 0 GFADLP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)Nc1ccc(Br)cc1 ZINC000905617428 663881734 /nfs/dbraw/zinc/88/17/34/663881734.db2.gz CSYDDMXMPVEHCO-QGZVFWFLSA-N 2 2 396.329 2.621 20 0 GFADLP CCn1c(Br)c(Br)nc1C[NH2+]CCCn1cc[nH+]c1 ZINC000921472978 664549749 /nfs/dbraw/zinc/54/97/49/664549749.db2.gz ZEPZZZJFOHAGPL-UHFFFAOYSA-N 2 2 391.111 2.804 20 0 GFADLP Cn1cc(I)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000925687222 664673961 /nfs/dbraw/zinc/67/39/61/664673961.db2.gz GKTLHYOOFFTPOT-AWEZNQCLSA-N 2 2 384.265 2.595 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806360 720066924 /nfs/dbraw/zinc/06/69/24/720066924.db2.gz BRIFOEXWFWCWJT-SIKLNZKXSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806360 720066932 /nfs/dbraw/zinc/06/69/32/720066932.db2.gz BRIFOEXWFWCWJT-SIKLNZKXSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809072 720139187 /nfs/dbraw/zinc/13/91/87/720139187.db2.gz GQLFEXYUHAFZKT-UGKGYDQZSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809072 720139193 /nfs/dbraw/zinc/13/91/93/720139193.db2.gz GQLFEXYUHAFZKT-UGKGYDQZSA-N 2 2 385.556 2.652 20 0 GFADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766187 721236494 /nfs/dbraw/zinc/23/64/94/721236494.db2.gz STTMIUYUKNIYBN-SJORKVTESA-N 2 2 376.508 2.743 20 0 GFADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@@H]3C2)cn1 ZINC001164766187 721236498 /nfs/dbraw/zinc/23/64/98/721236498.db2.gz STTMIUYUKNIYBN-SJORKVTESA-N 2 2 376.508 2.743 20 0 GFADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCC[C@]4(COc4ccccn4)C3)[nH+]2)CC1 ZINC001164794606 721506609 /nfs/dbraw/zinc/50/66/09/721506609.db2.gz ATLDECQLKWLFBH-WMZHIEFXSA-N 2 2 393.535 2.914 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3Br)CC2)CC1 ZINC000050797891 551161691 /nfs/dbraw/zinc/16/16/91/551161691.db2.gz DIRBZCGOFISLJB-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Br)c3)CC2)CC1 ZINC000050802606 551161813 /nfs/dbraw/zinc/16/18/13/551161813.db2.gz CEGIQHAKJDWXEG-UHFFFAOYSA-N 2 2 380.330 2.738 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729864 551331875 /nfs/dbraw/zinc/33/18/75/551331875.db2.gz YIDRAKSEQBADMN-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729864 551331876 /nfs/dbraw/zinc/33/18/76/551331876.db2.gz YIDRAKSEQBADMN-OLZOCXBDSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129835941 551360137 /nfs/dbraw/zinc/36/01/37/551360137.db2.gz OSLUNCABSZUXJZ-CSMYWGQOSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129835941 551360138 /nfs/dbraw/zinc/36/01/38/551360138.db2.gz OSLUNCABSZUXJZ-CSMYWGQOSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000129835941 551360140 /nfs/dbraw/zinc/36/01/40/551360140.db2.gz OSLUNCABSZUXJZ-CSMYWGQOSA-N 2 2 385.936 2.778 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155285925 551496667 /nfs/dbraw/zinc/49/66/67/551496667.db2.gz IQWSWIRKCBZYBS-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000155285925 551496668 /nfs/dbraw/zinc/49/66/68/551496668.db2.gz IQWSWIRKCBZYBS-MSOLQXFVSA-N 2 2 394.357 2.969 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896937 552095193 /nfs/dbraw/zinc/09/51/93/552095193.db2.gz GKZRFJCLHAAQFG-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896937 552095189 /nfs/dbraw/zinc/09/51/89/552095189.db2.gz GKZRFJCLHAAQFG-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896937 552095197 /nfs/dbraw/zinc/09/51/97/552095197.db2.gz GKZRFJCLHAAQFG-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000173896937 552095200 /nfs/dbraw/zinc/09/52/00/552095200.db2.gz GKZRFJCLHAAQFG-CYBMUJFWSA-N 2 2 388.375 2.743 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(Br)s1)N1CC[NH+](C)CC1 ZINC000179200784 552186740 /nfs/dbraw/zinc/18/67/40/552186740.db2.gz DRLRQCTVJSASGF-CHWSQXEVSA-N 2 2 375.380 2.828 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[NH2+]C[C@H]3c3cccnc3)c[nH+]c12 ZINC000261612417 553154157 /nfs/dbraw/zinc/15/41/57/553154157.db2.gz CDWYDPNIWXNDCC-KRWDZBQOSA-N 2 2 386.297 2.947 20 0 GFADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770588 553158797 /nfs/dbraw/zinc/15/87/97/553158797.db2.gz WXBLPVOOUZMRED-SUMWQHHRSA-N 2 2 398.320 2.668 20 0 GFADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261770588 553158799 /nfs/dbraw/zinc/15/87/99/553158799.db2.gz WXBLPVOOUZMRED-SUMWQHHRSA-N 2 2 398.320 2.668 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000546567259 564459076 /nfs/dbraw/zinc/45/90/76/564459076.db2.gz ZNEQEXAGJRPWFL-HNNXBMFYSA-N 2 2 379.245 2.515 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1OC(F)F ZINC000546567259 564459078 /nfs/dbraw/zinc/45/90/78/564459078.db2.gz ZNEQEXAGJRPWFL-HNNXBMFYSA-N 2 2 379.245 2.515 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114308 563234139 /nfs/dbraw/zinc/23/41/39/563234139.db2.gz URRSQRGUVKLGNQ-KRWDZBQOSA-N 2 2 394.357 2.666 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccc(Br)cc3)C2)CC1 ZINC000370114308 563234143 /nfs/dbraw/zinc/23/41/43/563234143.db2.gz URRSQRGUVKLGNQ-KRWDZBQOSA-N 2 2 394.357 2.666 20 0 GFADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829134 563257234 /nfs/dbraw/zinc/25/72/34/563257234.db2.gz DTCLPQAFJUICCR-QGZVFWFLSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1cccc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829134 563257238 /nfs/dbraw/zinc/25/72/38/563257238.db2.gz DTCLPQAFJUICCR-QGZVFWFLSA-N 2 2 380.330 2.690 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000371305738 563271573 /nfs/dbraw/zinc/27/15/73/563271573.db2.gz ZXQCVZORFYEGPP-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000371305738 563271578 /nfs/dbraw/zinc/27/15/78/563271578.db2.gz ZXQCVZORFYEGPP-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787266 563317535 /nfs/dbraw/zinc/31/75/35/563317535.db2.gz XGBHJTXHAKCAJC-KBPBESRZSA-N 2 2 388.375 2.568 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000422015111 563328624 /nfs/dbraw/zinc/32/86/24/563328624.db2.gz GQUQIYSUIKUUJD-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccoc3Br)CC2)CC1 ZINC000422015111 563328628 /nfs/dbraw/zinc/32/86/28/563328628.db2.gz GQUQIYSUIKUUJD-UHFFFAOYSA-N 2 2 384.318 2.674 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422889291 563349806 /nfs/dbraw/zinc/34/98/06/563349806.db2.gz FPGHFFXYKAFSRZ-HNAYVOBHSA-N 2 2 396.373 2.770 20 0 GFADLP CCn1ccnc1[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313953 563359340 /nfs/dbraw/zinc/35/93/40/563359340.db2.gz XMAJVANKQNUXBS-SWLSCSKDSA-N 2 2 398.292 2.781 20 0 GFADLP C[C@H](c1ncc(Br)cn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376552224 563446075 /nfs/dbraw/zinc/44/60/75/563446075.db2.gz JOWLDWIFKCBUKY-KTFSGNIMSA-N 2 2 394.361 2.543 20 0 GFADLP C[C@H](c1ncc(Br)cn1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376552224 563446077 /nfs/dbraw/zinc/44/60/77/563446077.db2.gz JOWLDWIFKCBUKY-KTFSGNIMSA-N 2 2 394.361 2.543 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230961 563452475 /nfs/dbraw/zinc/45/24/75/563452475.db2.gz VBUMYXQRRCFRKJ-FUHWJXTLSA-N 2 2 394.357 2.872 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324230961 563452477 /nfs/dbraw/zinc/45/24/77/563452477.db2.gz VBUMYXQRRCFRKJ-FUHWJXTLSA-N 2 2 394.357 2.872 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c[nH+]c12 ZINC000283960153 563460265 /nfs/dbraw/zinc/46/02/65/563460265.db2.gz KOUGJBZUINAXFH-DZGCQCFKSA-N 2 2 384.318 2.653 20 0 GFADLP C[C@@H]1CN(C(=O)c2cccc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369593 563504647 /nfs/dbraw/zinc/50/46/47/563504647.db2.gz YFZRYCPECYYHFQ-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@@H]1CN(C(=O)c2cccc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369593 563504649 /nfs/dbraw/zinc/50/46/49/563504649.db2.gz YFZRYCPECYYHFQ-CQSZACIVSA-N 2 2 380.330 2.690 20 0 GFADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cscc3Br)cn2)CC1 ZINC000285448970 563521527 /nfs/dbraw/zinc/52/15/27/563521527.db2.gz MADJQKYFUXDZDO-UHFFFAOYSA-N 2 2 381.343 2.947 20 0 GFADLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000362130016 563703369 /nfs/dbraw/zinc/70/33/69/563703369.db2.gz MECSWBZDOXPNCD-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000362130016 563703372 /nfs/dbraw/zinc/70/33/72/563703372.db2.gz MECSWBZDOXPNCD-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000439431077 563723665 /nfs/dbraw/zinc/72/36/65/563723665.db2.gz LHQRBRGGXIIJAE-SWLSCSKDSA-N 2 2 398.276 2.931 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000439431077 563723667 /nfs/dbraw/zinc/72/36/67/563723667.db2.gz LHQRBRGGXIIJAE-SWLSCSKDSA-N 2 2 398.276 2.931 20 0 GFADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3ccc(Br)cc23)CC1(C)C ZINC000440651840 563746192 /nfs/dbraw/zinc/74/61/92/563746192.db2.gz LJSJFQACMVJBFY-UHFFFAOYSA-N 2 2 377.330 2.857 20 0 GFADLP C[N@H+]1CCN(CCNc2cc[nH+]c3ccc(Br)cc23)CC1(C)C ZINC000440651840 563746196 /nfs/dbraw/zinc/74/61/96/563746196.db2.gz LJSJFQACMVJBFY-UHFFFAOYSA-N 2 2 377.330 2.857 20 0 GFADLP CN1CC[N@H+](CCNc2cc[nH+]c3ccc(Br)cc23)CC1(C)C ZINC000440651840 563746198 /nfs/dbraw/zinc/74/61/98/563746198.db2.gz LJSJFQACMVJBFY-UHFFFAOYSA-N 2 2 377.330 2.857 20 0 GFADLP CN1CC[N@@H+](CCNc2cc[nH+]c3ccc(Br)cc23)CC1(C)C ZINC000440651840 563746200 /nfs/dbraw/zinc/74/62/00/563746200.db2.gz LJSJFQACMVJBFY-UHFFFAOYSA-N 2 2 377.330 2.857 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802535 563764807 /nfs/dbraw/zinc/76/48/07/563764807.db2.gz FOBBUQPGJGVWBT-UKRRQHHQSA-N 2 2 388.375 2.568 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958430 563770338 /nfs/dbraw/zinc/77/03/38/563770338.db2.gz ZGMTWBHOFRRPMU-WMLDXEAASA-N 2 2 378.318 2.541 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000364958430 563770340 /nfs/dbraw/zinc/77/03/40/563770340.db2.gz ZGMTWBHOFRRPMU-WMLDXEAASA-N 2 2 378.318 2.541 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364994482 563771260 /nfs/dbraw/zinc/77/12/60/563771260.db2.gz LQESMDKMOIDUME-KRWDZBQOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364994482 563771262 /nfs/dbraw/zinc/77/12/62/563771262.db2.gz LQESMDKMOIDUME-KRWDZBQOSA-N 2 2 394.357 2.585 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367444884 563845274 /nfs/dbraw/zinc/84/52/74/563845274.db2.gz LKCLDTLWXMPGPY-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367444884 563845275 /nfs/dbraw/zinc/84/52/75/563845275.db2.gz LKCLDTLWXMPGPY-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417218143 563873562 /nfs/dbraw/zinc/87/35/62/563873562.db2.gz KWBNJLFHPZWLLN-SMDDNHRTSA-N 2 2 380.290 2.508 20 0 GFADLP CCCN(C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000418017891 563895336 /nfs/dbraw/zinc/89/53/36/563895336.db2.gz HUZUNIUFSFMQDL-OAHLLOKOSA-N 2 2 394.317 2.689 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])[nH+]c12 ZINC000418021501 563895355 /nfs/dbraw/zinc/89/53/55/563895355.db2.gz PVGAWLMBIUFOLW-ABAIWWIYSA-N 2 2 394.317 2.674 20 0 GFADLP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n(C)n1 ZINC000418070631 563897298 /nfs/dbraw/zinc/89/72/98/563897298.db2.gz RIVBEJINNYVABQ-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n(C)n1 ZINC000418070631 563897300 /nfs/dbraw/zinc/89/73/00/563897300.db2.gz RIVBEJINNYVABQ-UHFFFAOYSA-N 2 2 378.274 2.983 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449123141 563906899 /nfs/dbraw/zinc/90/68/99/563906899.db2.gz MTYRPYZNHRUMJN-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398793 564184150 /nfs/dbraw/zinc/18/41/50/564184150.db2.gz YVTVNTLUYUGIFU-CYBMUJFWSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000449398793 564184153 /nfs/dbraw/zinc/18/41/53/564184153.db2.gz YVTVNTLUYUGIFU-CYBMUJFWSA-N 2 2 393.272 2.987 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394604 564185079 /nfs/dbraw/zinc/18/50/79/564185079.db2.gz OCHXUJQYCVVRMM-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394604 564185080 /nfs/dbraw/zinc/18/50/80/564185080.db2.gz OCHXUJQYCVVRMM-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449598934 564190819 /nfs/dbraw/zinc/19/08/19/564190819.db2.gz JMXLZKCOBMUXIX-BPUTZDHNSA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449598934 564190824 /nfs/dbraw/zinc/19/08/24/564190824.db2.gz JMXLZKCOBMUXIX-BPUTZDHNSA-N 2 2 397.357 2.824 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685108 564197133 /nfs/dbraw/zinc/19/71/33/564197133.db2.gz RJHLGGWNUUXNJG-RVZJWNSFSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685108 564197136 /nfs/dbraw/zinc/19/71/36/564197136.db2.gz RJHLGGWNUUXNJG-RVZJWNSFSA-N 2 2 385.321 2.812 20 0 GFADLP C[NH+](C)[C@]1(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)CCSC1 ZINC000539977574 564234645 /nfs/dbraw/zinc/23/46/45/564234645.db2.gz LIBKQYWHPARXDC-IBGZPJMESA-N 2 2 383.005 2.619 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222903 564269418 /nfs/dbraw/zinc/26/94/18/564269418.db2.gz MPBOYGHLKUQVOZ-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541222903 564269422 /nfs/dbraw/zinc/26/94/22/564269422.db2.gz MPBOYGHLKUQVOZ-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232858 564271776 /nfs/dbraw/zinc/27/17/76/564271776.db2.gz FMVSWRFBTUKUDL-RISCZKNCSA-N 2 2 397.331 2.861 20 0 GFADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232858 564271780 /nfs/dbraw/zinc/27/17/80/564271780.db2.gz FMVSWRFBTUKUDL-RISCZKNCSA-N 2 2 397.331 2.861 20 0 GFADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396551 564349064 /nfs/dbraw/zinc/34/90/64/564349064.db2.gz SDMXQXONQOPYPF-ZDUSSCGKSA-N 2 2 376.507 2.774 20 0 GFADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396551 564349067 /nfs/dbraw/zinc/34/90/67/564349067.db2.gz SDMXQXONQOPYPF-ZDUSSCGKSA-N 2 2 376.507 2.774 20 0 GFADLP O=C(C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)NCC1CCC1 ZINC000510955096 564350848 /nfs/dbraw/zinc/35/08/48/564350848.db2.gz ZMSCHKDWAXMYAM-UHFFFAOYSA-N 2 2 395.301 2.657 20 0 GFADLP O=C(C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)NCC1CCC1 ZINC000510955096 564350850 /nfs/dbraw/zinc/35/08/50/564350850.db2.gz ZMSCHKDWAXMYAM-UHFFFAOYSA-N 2 2 395.301 2.657 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000567685024 564382972 /nfs/dbraw/zinc/38/29/72/564382972.db2.gz UDKLJOYXXKFPNY-DJSGYFEHSA-N 2 2 387.293 2.543 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000567685024 564382976 /nfs/dbraw/zinc/38/29/76/564382976.db2.gz UDKLJOYXXKFPNY-DJSGYFEHSA-N 2 2 387.293 2.543 20 0 GFADLP C[N@H+](CCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000454357746 564507138 /nfs/dbraw/zinc/50/71/38/564507138.db2.gz OYNVCPZRVBHUNJ-UHFFFAOYSA-N 2 2 394.317 2.770 20 0 GFADLP C[N@@H+](CCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC1 ZINC000454357746 564507141 /nfs/dbraw/zinc/50/71/41/564507141.db2.gz OYNVCPZRVBHUNJ-UHFFFAOYSA-N 2 2 394.317 2.770 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218881 564548781 /nfs/dbraw/zinc/54/87/81/564548781.db2.gz TUJSIPQCGROXIA-AUUYWEPGSA-N 2 2 390.325 2.914 20 0 GFADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218881 564548783 /nfs/dbraw/zinc/54/87/83/564548783.db2.gz TUJSIPQCGROXIA-AUUYWEPGSA-N 2 2 390.325 2.914 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1=O ZINC000518307895 564550492 /nfs/dbraw/zinc/55/04/92/564550492.db2.gz JJNHCXGSOXLLTB-OAHLLOKOSA-N 2 2 395.276 2.603 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000572148959 564583385 /nfs/dbraw/zinc/58/33/85/564583385.db2.gz LLCABOVFVDQZAH-YPMHNXCESA-N 2 2 388.693 2.717 20 0 GFADLP CC(C)[NH2+]CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000521225683 564622982 /nfs/dbraw/zinc/62/29/82/564622982.db2.gz XVLCSUZYYGVPKU-AWEZNQCLSA-N 2 2 375.332 2.645 20 0 GFADLP [NH3+][C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cscn1 ZINC000573203360 564628484 /nfs/dbraw/zinc/62/84/84/564628484.db2.gz BYJCQQZHOIRQDF-KRWDZBQOSA-N 2 2 378.929 2.825 20 0 GFADLP CSC[C@H](O)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502749 564747839 /nfs/dbraw/zinc/74/78/39/564747839.db2.gz GLQBQNANQJIUQL-LJQANCHMSA-N 2 2 383.989 2.650 20 0 GFADLP CCn1cc[nH+]c1[C@H](NCC[NH+](C)C)c1ccc(I)cc1 ZINC000554095616 564750403 /nfs/dbraw/zinc/75/04/03/564750403.db2.gz RIDNZBLXQRKXJJ-OAHLLOKOSA-N 2 2 398.292 2.748 20 0 GFADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]1 ZINC000581071035 564786815 /nfs/dbraw/zinc/78/68/15/564786815.db2.gz JICKCEBGSUZKOJ-XYPHTWIQSA-N 2 2 380.330 2.843 20 0 GFADLP FC(F)Oc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000491182457 564788867 /nfs/dbraw/zinc/78/88/67/564788867.db2.gz KMPAZPOXMCVTCJ-ZDUSSCGKSA-N 2 2 390.272 2.530 20 0 GFADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cc(Br)cs1 ZINC000493931810 564813804 /nfs/dbraw/zinc/81/38/04/564813804.db2.gz AABDALLXFIEPQC-CQSZACIVSA-N 2 2 390.391 2.551 20 0 GFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876245 564844698 /nfs/dbraw/zinc/84/46/98/564844698.db2.gz KZVFNBUKZFRNRF-OCCSQVGLSA-N 2 2 379.302 2.671 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)CCC2 ZINC000556876232 564844765 /nfs/dbraw/zinc/84/47/65/564844765.db2.gz KZVFNBUKZFRNRF-GXTWGEPZSA-N 2 2 379.302 2.671 20 0 GFADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043800 564917991 /nfs/dbraw/zinc/91/79/91/564917991.db2.gz QRWTZWMPQXGYSP-WMLDXEAASA-N 2 2 386.323 2.707 20 0 GFADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043800 564917993 /nfs/dbraw/zinc/91/79/93/564917993.db2.gz QRWTZWMPQXGYSP-WMLDXEAASA-N 2 2 386.323 2.707 20 0 GFADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000465733997 564931264 /nfs/dbraw/zinc/93/12/64/564931264.db2.gz ZEFWYSOVCHUBHR-IUODEOHRSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000465733997 564931265 /nfs/dbraw/zinc/93/12/65/564931265.db2.gz ZEFWYSOVCHUBHR-IUODEOHRSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000535004630 565002270 /nfs/dbraw/zinc/00/22/70/565002270.db2.gz NZXYVNCTYOPMPK-CVEARBPZSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000535004630 565002273 /nfs/dbraw/zinc/00/22/73/565002273.db2.gz NZXYVNCTYOPMPK-CVEARBPZSA-N 2 2 381.973 2.983 20 0 GFADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288509 565056139 /nfs/dbraw/zinc/05/61/39/565056139.db2.gz FGRIFJBSYOGQEW-CVEARBPZSA-N 2 2 386.309 2.969 20 0 GFADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288509 565056141 /nfs/dbraw/zinc/05/61/41/565056141.db2.gz FGRIFJBSYOGQEW-CVEARBPZSA-N 2 2 386.309 2.969 20 0 GFADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288511 565056202 /nfs/dbraw/zinc/05/62/02/565056202.db2.gz FGRIFJBSYOGQEW-HZPDHXFCSA-N 2 2 386.309 2.969 20 0 GFADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288511 565056204 /nfs/dbraw/zinc/05/62/04/565056204.db2.gz FGRIFJBSYOGQEW-HZPDHXFCSA-N 2 2 386.309 2.969 20 0 GFADLP Cc1ccc(C[C@@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000657485117 565103265 /nfs/dbraw/zinc/10/32/65/565103265.db2.gz WZQXWACCVTYOQC-OAHLLOKOSA-N 2 2 378.314 2.841 20 0 GFADLP CO[C@@]1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCOC1 ZINC000639174452 565230392 /nfs/dbraw/zinc/23/03/92/565230392.db2.gz BUZVIFGSCDNKFH-MRXNPFEDSA-N 2 2 384.274 2.546 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617767239 565257910 /nfs/dbraw/zinc/25/79/10/565257910.db2.gz LWHLULDBYIRJRS-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617767239 565257917 /nfs/dbraw/zinc/25/79/17/565257917.db2.gz LWHLULDBYIRJRS-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1Br ZINC000617764466 565257962 /nfs/dbraw/zinc/25/79/62/565257962.db2.gz YRZKTFNLQRMUGY-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccccc1Br ZINC000617764466 565257967 /nfs/dbraw/zinc/25/79/67/565257967.db2.gz YRZKTFNLQRMUGY-UHFFFAOYSA-N 2 2 384.362 2.726 20 0 GFADLP CN(C)c1[nH+]cccc1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662385633 565364321 /nfs/dbraw/zinc/36/43/21/565364321.db2.gz YRAGCRMOYJEDBW-UHFFFAOYSA-N 2 2 381.299 2.505 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662718036 565383642 /nfs/dbraw/zinc/38/36/42/565383642.db2.gz IFJTXUQCDBOZEV-MRXNPFEDSA-N 2 2 380.330 2.926 20 0 GFADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000594946609 565437235 /nfs/dbraw/zinc/43/72/35/565437235.db2.gz QLQUCBCHBLHDAY-TUKIKUTGSA-N 2 2 380.286 2.735 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)n1 ZINC000665292469 565496289 /nfs/dbraw/zinc/49/62/89/565496289.db2.gz AMMKJQGAQVZVEZ-INIZCTEOSA-N 2 2 381.249 2.783 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193247 565515614 /nfs/dbraw/zinc/51/56/14/565515614.db2.gz IFILDZUYTUDSBR-OLZOCXBDSA-N 2 2 386.309 2.791 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193248 565515769 /nfs/dbraw/zinc/51/57/69/565515769.db2.gz IFILDZUYTUDSBR-QWHCGFSZSA-N 2 2 386.309 2.791 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000666894882 565562225 /nfs/dbraw/zinc/56/22/25/565562225.db2.gz BGQIDOOIFUREOE-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000666894882 565562228 /nfs/dbraw/zinc/56/22/28/565562228.db2.gz BGQIDOOIFUREOE-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531002 565593657 /nfs/dbraw/zinc/59/36/57/565593657.db2.gz SDMMPINMPYENHJ-ZDUSSCGKSA-N 2 2 392.301 2.737 20 0 GFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)n1C ZINC000667531002 565593661 /nfs/dbraw/zinc/59/36/61/565593661.db2.gz SDMMPINMPYENHJ-ZDUSSCGKSA-N 2 2 392.301 2.737 20 0 GFADLP CCOc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000648072067 565690258 /nfs/dbraw/zinc/69/02/58/565690258.db2.gz KCIFTRIKNCAYOL-UHFFFAOYSA-N 2 2 399.329 2.850 20 0 GFADLP CCOc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000648072067 565690260 /nfs/dbraw/zinc/69/02/60/565690260.db2.gz KCIFTRIKNCAYOL-UHFFFAOYSA-N 2 2 399.329 2.850 20 0 GFADLP CC[C@H]1CN(C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000669559432 565692526 /nfs/dbraw/zinc/69/25/26/565692526.db2.gz ZZUGYOFJVGSFAS-SWLSCSKDSA-N 2 2 394.317 2.674 20 0 GFADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC000602477365 565850271 /nfs/dbraw/zinc/85/02/71/565850271.db2.gz UXDAZNRVBBVEON-UHFFFAOYSA-N 2 2 394.322 2.895 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000629654581 565865010 /nfs/dbraw/zinc/86/50/10/565865010.db2.gz ZNVXOAXMXGXOMO-UHFFFAOYSA-N 2 2 391.191 2.712 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608165 565933530 /nfs/dbraw/zinc/93/35/30/565933530.db2.gz VEPXNXFDEDYLJE-HNNXBMFYSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000604608165 565933537 /nfs/dbraw/zinc/93/35/37/565933537.db2.gz VEPXNXFDEDYLJE-HNNXBMFYSA-N 2 2 391.339 2.512 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1Br ZINC000631177393 565947270 /nfs/dbraw/zinc/94/72/70/565947270.db2.gz KOCIXMNOECQGNT-CQSZACIVSA-N 2 2 387.293 2.940 20 0 GFADLP C[C@@H](c1ccccc1Br)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083290 565998788 /nfs/dbraw/zinc/99/87/88/565998788.db2.gz ZHVUYAFQCJIYHG-GUYCJALGSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@@H](c1ccccc1Br)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083290 565998794 /nfs/dbraw/zinc/99/87/94/565998794.db2.gz ZHVUYAFQCJIYHG-GUYCJALGSA-N 2 2 380.330 2.924 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549857 566218803 /nfs/dbraw/zinc/21/88/03/566218803.db2.gz AKBXJVAGEPWEFX-SNVBAGLBSA-N 2 2 389.302 2.613 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)c(Cl)c(N)c3Cl)C2)CC1 ZINC000635549857 566218809 /nfs/dbraw/zinc/21/88/09/566218809.db2.gz AKBXJVAGEPWEFX-SNVBAGLBSA-N 2 2 389.302 2.613 20 0 GFADLP C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736801415 598898485 /nfs/dbraw/zinc/89/84/85/598898485.db2.gz JZFHWOIHJUQLSC-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736801415 598898486 /nfs/dbraw/zinc/89/84/86/598898486.db2.gz JZFHWOIHJUQLSC-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821276442 599427845 /nfs/dbraw/zinc/42/78/45/599427845.db2.gz LMZHKMZAMJBAIV-AWEZNQCLSA-N 2 2 399.474 2.592 20 0 GFADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](CCOC(C)C)CC3)c2c1 ZINC000822195049 606042524 /nfs/dbraw/zinc/04/25/24/606042524.db2.gz FJSKIHAUSKMIFE-UHFFFAOYSA-N 2 2 395.511 2.579 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1-c1nn[nH]n1 ZINC000826331938 608315386 /nfs/dbraw/zinc/31/53/86/608315386.db2.gz DUYBOLMLGVUFRO-QGZVFWFLSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1-c1nn[nH]n1 ZINC000826331938 608315387 /nfs/dbraw/zinc/31/53/87/608315387.db2.gz DUYBOLMLGVUFRO-QGZVFWFLSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1-c1nn[nH]n1 ZINC000826331938 608315390 /nfs/dbraw/zinc/31/53/90/608315390.db2.gz DUYBOLMLGVUFRO-QGZVFWFLSA-N 2 2 394.527 2.667 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1-c1nn[nH]n1 ZINC000826331938 608315391 /nfs/dbraw/zinc/31/53/91/608315391.db2.gz DUYBOLMLGVUFRO-QGZVFWFLSA-N 2 2 394.527 2.667 20 0 GFADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034444 609363998 /nfs/dbraw/zinc/36/39/98/609363998.db2.gz QVEXUFNOODKXSR-HOCLYGCPSA-N 2 2 391.317 2.545 20 0 GFADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034444 609364001 /nfs/dbraw/zinc/36/40/01/609364001.db2.gz QVEXUFNOODKXSR-HOCLYGCPSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034444 609364003 /nfs/dbraw/zinc/36/40/03/609364003.db2.gz QVEXUFNOODKXSR-HOCLYGCPSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034444 609364006 /nfs/dbraw/zinc/36/40/06/609364006.db2.gz QVEXUFNOODKXSR-HOCLYGCPSA-N 2 2 391.317 2.545 20 0 GFADLP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980419 660212781 /nfs/dbraw/zinc/21/27/81/660212781.db2.gz ASXBRJKVABYGCO-BXUZGUMPSA-N 2 2 376.469 2.860 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCCCCC[NH3+])[nH+]c12 ZINC000831150929 660699911 /nfs/dbraw/zinc/69/99/11/660699911.db2.gz PZJCJLNNXLQKOX-UHFFFAOYSA-N 2 2 396.333 2.766 20 0 GFADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)s1 ZINC000042385563 654639316 /nfs/dbraw/zinc/63/93/16/654639316.db2.gz JREMANVBAWAEOH-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)s1 ZINC000042385563 654639320 /nfs/dbraw/zinc/63/93/20/654639320.db2.gz JREMANVBAWAEOH-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051951809 654731015 /nfs/dbraw/zinc/73/10/15/654731015.db2.gz BPOMVHNVSYVGNP-QGZVFWFLSA-N 2 2 383.330 2.749 20 0 GFADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000135562737 655020422 /nfs/dbraw/zinc/02/04/22/655020422.db2.gz KAGBDZAPCHNWOY-MAUKXSAKSA-N 2 2 394.357 2.996 20 0 GFADLP O=C(CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)N1CCCC1 ZINC000839005927 661067942 /nfs/dbraw/zinc/06/79/42/661067942.db2.gz OXEXKZMNFQDZNA-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP O=C(CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)N1CCCC1 ZINC000839005927 661067947 /nfs/dbraw/zinc/06/79/47/661067947.db2.gz OXEXKZMNFQDZNA-UHFFFAOYSA-N 2 2 395.301 2.753 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172925 655436704 /nfs/dbraw/zinc/43/67/04/655436704.db2.gz XLANGJDGKOINJT-XNRPHZJLSA-N 2 2 386.323 2.845 20 0 GFADLP CN(C(=O)/C=C/c1ccc(Br)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564150 655598069 /nfs/dbraw/zinc/59/80/69/655598069.db2.gz OZHSBHXZLLRIRL-DRDHIDPGSA-N 2 2 396.329 2.682 20 0 GFADLP CN(C(=O)/C=C/c1ccc(Br)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564150 655598071 /nfs/dbraw/zinc/59/80/71/655598071.db2.gz OZHSBHXZLLRIRL-DRDHIDPGSA-N 2 2 396.329 2.682 20 0 GFADLP O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738160412 655686359 /nfs/dbraw/zinc/68/63/59/655686359.db2.gz WZTWPSIQYRPZKE-CYBMUJFWSA-N 2 2 377.242 2.848 20 0 GFADLP O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738160412 655686360 /nfs/dbraw/zinc/68/63/60/655686360.db2.gz WZTWPSIQYRPZKE-CYBMUJFWSA-N 2 2 377.242 2.848 20 0 GFADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000759912705 655966391 /nfs/dbraw/zinc/96/63/91/655966391.db2.gz YJRISHKTTIQYDU-INIZCTEOSA-N 2 2 383.330 2.749 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)oc2cccc(Br)c21 ZINC000794635264 658586621 /nfs/dbraw/zinc/58/66/21/658586621.db2.gz VFHKEVCKMWGALK-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)oc2cccc(Br)c21 ZINC000794635264 658586636 /nfs/dbraw/zinc/58/66/36/658586636.db2.gz VFHKEVCKMWGALK-UHFFFAOYSA-N 2 2 379.258 2.842 20 0 GFADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009535 661849054 /nfs/dbraw/zinc/84/90/54/661849054.db2.gz MSGJBUCDZMQMBS-ZWKOTPCHSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009535 661849056 /nfs/dbraw/zinc/84/90/56/661849056.db2.gz MSGJBUCDZMQMBS-ZWKOTPCHSA-N 2 2 383.330 2.669 20 0 GFADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334786 661860760 /nfs/dbraw/zinc/86/07/60/661860760.db2.gz AEBFJVYBNYZYNH-NEPJUHHUSA-N 2 2 377.124 2.791 20 0 GFADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852334786 661860763 /nfs/dbraw/zinc/86/07/63/661860763.db2.gz AEBFJVYBNYZYNH-NEPJUHHUSA-N 2 2 377.124 2.791 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000858127369 662099996 /nfs/dbraw/zinc/09/99/96/662099996.db2.gz ZBAGJPVQDMYHGU-CHWSQXEVSA-N 2 2 397.342 2.854 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000858127369 662099997 /nfs/dbraw/zinc/09/99/97/662099997.db2.gz ZBAGJPVQDMYHGU-CHWSQXEVSA-N 2 2 397.342 2.854 20 0 GFADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(Br)n1 ZINC000858150997 662101652 /nfs/dbraw/zinc/10/16/52/662101652.db2.gz PKEKOWCWYITTNZ-UHFFFAOYSA-N 2 2 393.333 2.720 20 0 GFADLP COc1ccc(Br)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877747229 662882763 /nfs/dbraw/zinc/88/27/63/662882763.db2.gz CWLFZCHXTCMYLJ-UHFFFAOYSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncccc3Br)CC2)CC1 ZINC000878722718 662903715 /nfs/dbraw/zinc/90/37/15/662903715.db2.gz WMZZYBVRTJUMKK-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncccc3Br)CC2)CC1 ZINC000878722718 662903717 /nfs/dbraw/zinc/90/37/17/662903717.db2.gz WMZZYBVRTJUMKK-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916283 663811493 /nfs/dbraw/zinc/81/14/93/663811493.db2.gz SBJDNEJCRWPCDG-CYBMUJFWSA-N 2 2 383.309 2.880 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccc(F)cc2Br)cnn1C ZINC000903916283 663811494 /nfs/dbraw/zinc/81/14/94/663811494.db2.gz SBJDNEJCRWPCDG-CYBMUJFWSA-N 2 2 383.309 2.880 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(Br)n1 ZINC000924624509 664659031 /nfs/dbraw/zinc/65/90/31/664659031.db2.gz CIRHZUMTOIOVBJ-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(Br)n1 ZINC000924806859 664662146 /nfs/dbraw/zinc/66/21/46/664662146.db2.gz FYLBZDQYGOAFFP-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000926097274 664681591 /nfs/dbraw/zinc/68/15/91/664681591.db2.gz OVKNIZXUYHQKAG-AWEZNQCLSA-N 2 2 378.826 2.666 20 0 GFADLP Cn1nnc2c1CCN(c1[nH+]ccc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164714534 720170372 /nfs/dbraw/zinc/17/03/72/720170372.db2.gz QJJNVZXTKJPZBQ-FQEVSTJZSA-N 2 2 392.507 2.580 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164900468 721508260 /nfs/dbraw/zinc/50/82/60/721508260.db2.gz REXGVWFTCCKXCC-AZUAARDMSA-N 2 2 397.498 2.866 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164900468 721508262 /nfs/dbraw/zinc/50/82/62/721508262.db2.gz REXGVWFTCCKXCC-AZUAARDMSA-N 2 2 397.498 2.866 20 0 GFADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924303 721867692 /nfs/dbraw/zinc/86/76/92/721867692.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924303 721867694 /nfs/dbraw/zinc/86/76/94/721867694.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 2 2 377.964 2.545 20 0 GFADLP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001164924303 721867695 /nfs/dbraw/zinc/86/76/95/721867695.db2.gz KSJZEPGZKUPEBQ-MSOLQXFVSA-N 2 2 377.964 2.545 20 0 GFADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630909 209151446 /nfs/dbraw/zinc/15/14/46/209151446.db2.gz JVVAJLVUNUMDHP-RCZSKKKRSA-N 2 2 386.540 2.565 20 0 GFADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630909 209151449 /nfs/dbraw/zinc/15/14/49/209151449.db2.gz JVVAJLVUNUMDHP-RCZSKKKRSA-N 2 2 386.540 2.565 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630909 209151453 /nfs/dbraw/zinc/15/14/53/209151453.db2.gz JVVAJLVUNUMDHP-RCZSKKKRSA-N 2 2 386.540 2.565 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630909 209151456 /nfs/dbraw/zinc/15/14/56/209151456.db2.gz JVVAJLVUNUMDHP-RCZSKKKRSA-N 2 2 386.540 2.565 20 0 GFADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630908 209150119 /nfs/dbraw/zinc/15/01/19/209150119.db2.gz JVVAJLVUNUMDHP-CZTZKLFOSA-N 2 2 386.540 2.565 20 0 GFADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630908 209150124 /nfs/dbraw/zinc/15/01/24/209150124.db2.gz JVVAJLVUNUMDHP-CZTZKLFOSA-N 2 2 386.540 2.565 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630908 209150127 /nfs/dbraw/zinc/15/01/27/209150127.db2.gz JVVAJLVUNUMDHP-CZTZKLFOSA-N 2 2 386.540 2.565 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)COc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328630908 209150132 /nfs/dbraw/zinc/15/01/32/209150132.db2.gz JVVAJLVUNUMDHP-CZTZKLFOSA-N 2 2 386.540 2.565 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000128564283 551350602 /nfs/dbraw/zinc/35/06/02/551350602.db2.gz LOJOURGBWDTYDR-CQSZACIVSA-N 2 2 381.263 2.844 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000128564283 551350603 /nfs/dbraw/zinc/35/06/03/551350603.db2.gz LOJOURGBWDTYDR-CQSZACIVSA-N 2 2 381.263 2.844 20 0 GFADLP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000153116310 551446759 /nfs/dbraw/zinc/44/67/59/551446759.db2.gz RLTXJTZNJHFEAD-GJZGRUSLSA-N 2 2 398.345 2.724 20 0 GFADLP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342518 552102890 /nfs/dbraw/zinc/10/28/90/552102890.db2.gz FLRHPANWOPFYRY-IRXDYDNUSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342518 552102891 /nfs/dbraw/zinc/10/28/91/552102891.db2.gz FLRHPANWOPFYRY-IRXDYDNUSA-N 2 2 381.611 2.998 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000177157926 552150837 /nfs/dbraw/zinc/15/08/37/552150837.db2.gz TWURGPIJAUIOGQ-QZTJIDSGSA-N 2 2 394.357 2.695 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000181094684 552246428 /nfs/dbraw/zinc/24/64/28/552246428.db2.gz BGPGJKWTXCPBFT-UHFFFAOYSA-N 2 2 387.228 2.884 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000181094684 552246429 /nfs/dbraw/zinc/24/64/29/552246429.db2.gz BGPGJKWTXCPBFT-UHFFFAOYSA-N 2 2 387.228 2.884 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359513 552361809 /nfs/dbraw/zinc/36/18/09/552361809.db2.gz GRXGDASURDDMNE-CPUCHLNUSA-N 2 2 380.330 2.935 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000185359513 552361810 /nfs/dbraw/zinc/36/18/10/552361810.db2.gz GRXGDASURDDMNE-CPUCHLNUSA-N 2 2 380.330 2.935 20 0 GFADLP FC(F)(F)c1nnc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)s1 ZINC000191304633 552524226 /nfs/dbraw/zinc/52/42/26/552524226.db2.gz NIFWCXBINOEFET-UHFFFAOYSA-N 2 2 377.480 2.945 20 0 GFADLP FC(F)(F)c1nnc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)s1 ZINC000191304633 552524228 /nfs/dbraw/zinc/52/42/28/552524228.db2.gz NIFWCXBINOEFET-UHFFFAOYSA-N 2 2 377.480 2.945 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccoc2Br)([NH+]2CCCCC2)CC1 ZINC000193633383 552998748 /nfs/dbraw/zinc/99/87/48/552998748.db2.gz KTWVUUYOLVZYKD-UHFFFAOYSA-N 2 2 384.318 2.722 20 0 GFADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000228315298 553063404 /nfs/dbraw/zinc/06/34/04/553063404.db2.gz UOVKLIOPWVCNTM-LBPRGKRZSA-N 2 2 391.151 2.547 20 0 GFADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000228315298 553063406 /nfs/dbraw/zinc/06/34/06/553063406.db2.gz UOVKLIOPWVCNTM-LBPRGKRZSA-N 2 2 391.151 2.547 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245716855 553095684 /nfs/dbraw/zinc/09/56/84/553095684.db2.gz OSLUNCABSZUXJZ-DQYPLSBCSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245716855 553095685 /nfs/dbraw/zinc/09/56/85/553095685.db2.gz OSLUNCABSZUXJZ-DQYPLSBCSA-N 2 2 385.936 2.778 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247959801 553127315 /nfs/dbraw/zinc/12/73/15/553127315.db2.gz GBQNAUFNOSQHMK-RKVPGOIHSA-N 2 2 392.345 2.929 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247959801 553127317 /nfs/dbraw/zinc/12/73/17/553127317.db2.gz GBQNAUFNOSQHMK-RKVPGOIHSA-N 2 2 392.345 2.929 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350469 553150984 /nfs/dbraw/zinc/15/09/84/553150984.db2.gz SPWJRWMVGUNONQ-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350469 553150986 /nfs/dbraw/zinc/15/09/86/553150986.db2.gz SPWJRWMVGUNONQ-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350469 553150988 /nfs/dbraw/zinc/15/09/88/553150988.db2.gz SPWJRWMVGUNONQ-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000253350469 553150990 /nfs/dbraw/zinc/15/09/90/553150990.db2.gz SPWJRWMVGUNONQ-PBHICJAKSA-N 2 2 380.330 2.828 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261650643 553155290 /nfs/dbraw/zinc/15/52/90/553155290.db2.gz FECZMHOCIZAWTA-XYPWUTKMSA-N 2 2 380.330 2.622 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261650643 553155293 /nfs/dbraw/zinc/15/52/93/553155293.db2.gz FECZMHOCIZAWTA-XYPWUTKMSA-N 2 2 380.330 2.622 20 0 GFADLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822799 553160427 /nfs/dbraw/zinc/16/04/27/553160427.db2.gz WUSXJUYHCQPZIF-QIXHYMPYSA-N 2 2 380.330 2.841 20 0 GFADLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822799 553160428 /nfs/dbraw/zinc/16/04/28/553160428.db2.gz WUSXJUYHCQPZIF-QIXHYMPYSA-N 2 2 380.330 2.841 20 0 GFADLP FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262151613 553166645 /nfs/dbraw/zinc/16/66/45/553166645.db2.gz RGFXYTUZLTYDQH-ZDUSSCGKSA-N 2 2 390.272 2.530 20 0 GFADLP FC(F)Oc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262151613 553166647 /nfs/dbraw/zinc/16/66/47/553166647.db2.gz RGFXYTUZLTYDQH-ZDUSSCGKSA-N 2 2 390.272 2.530 20 0 GFADLP CC[NH+](CC)CCOC1CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000448343005 563896444 /nfs/dbraw/zinc/89/64/44/563896444.db2.gz IJENBVQZWGOMNI-UHFFFAOYSA-N 2 2 387.366 2.814 20 0 GFADLP CN(C(=O)c1cc(F)cc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370822364 563256644 /nfs/dbraw/zinc/25/66/44/563256644.db2.gz YVYYKBLYGNOCRE-KRWDZBQOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cc(F)cc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370822364 563256650 /nfs/dbraw/zinc/25/66/50/563256650.db2.gz YVYYKBLYGNOCRE-KRWDZBQOSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(F)cc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370832865 563257655 /nfs/dbraw/zinc/25/76/55/563257655.db2.gz ZNAZIVKPBOPCOT-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1ccc(F)cc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370832865 563257656 /nfs/dbraw/zinc/25/76/56/563257656.db2.gz ZNAZIVKPBOPCOT-HNNXBMFYSA-N 2 2 398.320 2.829 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)[nH+]c12 ZINC000280294458 563330897 /nfs/dbraw/zinc/33/08/97/563330897.db2.gz QGNJDLGMZMDHMB-INIZCTEOSA-N 2 2 391.313 2.691 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCC[N@H+]3C3CC3)[nH+]c12 ZINC000280294458 563330901 /nfs/dbraw/zinc/33/09/01/563330901.db2.gz QGNJDLGMZMDHMB-INIZCTEOSA-N 2 2 391.313 2.691 20 0 GFADLP CC[N@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000373396167 563336937 /nfs/dbraw/zinc/33/69/37/563336937.db2.gz XSGVDHBHEIFYTL-UHFFFAOYSA-N 2 2 382.346 2.903 20 0 GFADLP CC[N@@H+](C)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000373396167 563336939 /nfs/dbraw/zinc/33/69/39/563336939.db2.gz XSGVDHBHEIFYTL-UHFFFAOYSA-N 2 2 382.346 2.903 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772516 563348990 /nfs/dbraw/zinc/34/89/90/563348990.db2.gz ZFMCHGFTZNCCGS-IUODEOHRSA-N 2 2 389.359 2.589 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015085 563353387 /nfs/dbraw/zinc/35/33/87/563353387.db2.gz QJYNSXCRTMHBPR-DGCLKSJQSA-N 2 2 381.826 2.879 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000375202488 563395018 /nfs/dbraw/zinc/39/50/18/563395018.db2.gz QSUZFQLVZTVFPH-TZMCWYRMSA-N 2 2 376.492 2.928 20 0 GFADLP CC(C)(C(N)=O)[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409712548 563569394 /nfs/dbraw/zinc/56/93/94/563569394.db2.gz AAFSZKRYHAWWAC-UHFFFAOYSA-N 2 2 395.276 2.522 20 0 GFADLP Cn1cc[nH+]c1CN(Cc1cncc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423526 563649605 /nfs/dbraw/zinc/64/96/05/563649605.db2.gz URGWRDDBUNSCSX-MRXNPFEDSA-N 2 2 390.329 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C(C)C)nn3)[nH+]c12 ZINC000290030222 563695467 /nfs/dbraw/zinc/69/54/67/563695467.db2.gz DVWLGVSNRZFJQF-UHFFFAOYSA-N 2 2 377.290 2.910 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000439420496 563723979 /nfs/dbraw/zinc/72/39/79/563723979.db2.gz JHQOCWHTOXCZKT-OAHLLOKOSA-N 2 2 398.276 2.931 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000414330043 563727074 /nfs/dbraw/zinc/72/70/74/563727074.db2.gz REJKYJPNZNYLRN-QGZVFWFLSA-N 2 2 378.563 2.806 20 0 GFADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000414330043 563727075 /nfs/dbraw/zinc/72/70/75/563727075.db2.gz REJKYJPNZNYLRN-QGZVFWFLSA-N 2 2 378.563 2.806 20 0 GFADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737912 563751812 /nfs/dbraw/zinc/75/18/12/563751812.db2.gz DRXJDKQTHBNCSN-CYBMUJFWSA-N 2 2 383.334 2.883 20 0 GFADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414737912 563751814 /nfs/dbraw/zinc/75/18/14/563751814.db2.gz DRXJDKQTHBNCSN-CYBMUJFWSA-N 2 2 383.334 2.883 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414800173 563753712 /nfs/dbraw/zinc/75/37/12/563753712.db2.gz RVWSGCAAWMWZAH-OAHLLOKOSA-N 2 2 387.318 2.772 20 0 GFADLP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1OC(F)F ZINC000415050416 563757854 /nfs/dbraw/zinc/75/78/54/563757854.db2.gz YQWWERMODKKKIE-CYBMUJFWSA-N 2 2 379.245 2.827 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415096456 563758982 /nfs/dbraw/zinc/75/89/82/563758982.db2.gz PZRJZINILSZJGP-FZKQIMNGSA-N 2 2 379.298 2.948 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140943 563760291 /nfs/dbraw/zinc/76/02/91/563760291.db2.gz OCFZWRAOTZHRBE-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415140943 563760292 /nfs/dbraw/zinc/76/02/92/563760292.db2.gz OCFZWRAOTZHRBE-IAGOWNOFSA-N 2 2 383.323 2.714 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365278291 563779229 /nfs/dbraw/zinc/77/92/29/563779229.db2.gz KRKKDZXNRDSIDK-MAUKXSAKSA-N 2 2 387.615 2.857 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000365278291 563779230 /nfs/dbraw/zinc/77/92/30/563779230.db2.gz KRKKDZXNRDSIDK-MAUKXSAKSA-N 2 2 387.615 2.857 20 0 GFADLP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000366288045 563803974 /nfs/dbraw/zinc/80/39/74/563803974.db2.gz IOCDIICOWICXKJ-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000366288045 563803977 /nfs/dbraw/zinc/80/39/77/563803977.db2.gz IOCDIICOWICXKJ-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000443622316 563808778 /nfs/dbraw/zinc/80/87/78/563808778.db2.gz BITYOLPRWIZOOE-SWLSCSKDSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000443622316 563808781 /nfs/dbraw/zinc/80/87/81/563808781.db2.gz BITYOLPRWIZOOE-SWLSCSKDSA-N 2 2 394.317 2.578 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820113 563869444 /nfs/dbraw/zinc/86/94/44/563869444.db2.gz YIDRAKSEQBADMN-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820113 563869446 /nfs/dbraw/zinc/86/94/46/563869446.db2.gz YIDRAKSEQBADMN-QWHCGFSZSA-N 2 2 386.309 2.826 20 0 GFADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384506 564182865 /nfs/dbraw/zinc/18/28/65/564182865.db2.gz BMAKKBDRRWKBBB-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449384506 564182868 /nfs/dbraw/zinc/18/28/68/564182868.db2.gz BMAKKBDRRWKBBB-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389522 564184556 /nfs/dbraw/zinc/18/45/56/564184556.db2.gz SNKGMORRAHLWLD-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389522 564184561 /nfs/dbraw/zinc/18/45/61/564184561.db2.gz SNKGMORRAHLWLD-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccsc3Br)CC2)CC1 ZINC000449822852 564204132 /nfs/dbraw/zinc/20/41/32/564204132.db2.gz XOMKBXSUQWUSHC-UHFFFAOYSA-N 2 2 386.359 2.799 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ncc(Cl)s3)c2)C1 ZINC000472048410 564210911 /nfs/dbraw/zinc/21/09/11/564210911.db2.gz QCWDEHWFNUTSAG-OAHLLOKOSA-N 2 2 378.929 2.784 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ncc(Cl)s3)c2)C1 ZINC000472048410 564210915 /nfs/dbraw/zinc/21/09/15/564210915.db2.gz QCWDEHWFNUTSAG-OAHLLOKOSA-N 2 2 378.929 2.784 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000472630437 564229631 /nfs/dbraw/zinc/22/96/31/564229631.db2.gz XRCOQFNUJKFXGV-UHFFFAOYSA-N 2 2 381.314 2.661 20 0 GFADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344986 564229651 /nfs/dbraw/zinc/22/96/51/564229651.db2.gz AQSACLQEVKWMJY-AWEZNQCLSA-N 2 2 393.329 2.941 20 0 GFADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000564344986 564229654 /nfs/dbraw/zinc/22/96/54/564229654.db2.gz AQSACLQEVKWMJY-AWEZNQCLSA-N 2 2 393.329 2.941 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222905 564270019 /nfs/dbraw/zinc/27/00/19/564270019.db2.gz MPBOYGHLKUQVOZ-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541222905 564270022 /nfs/dbraw/zinc/27/00/22/564270022.db2.gz MPBOYGHLKUQVOZ-IRXDYDNUSA-N 2 2 380.330 2.756 20 0 GFADLP Brc1ccc2[nH+]cc(CN3CCC[C@@H]([NH+]4CCOCC4)CC3)n2c1 ZINC000565230617 564272212 /nfs/dbraw/zinc/27/22/12/564272212.db2.gz TWZHPABBCHYGIL-MRXNPFEDSA-N 2 2 393.329 2.784 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122546 564310319 /nfs/dbraw/zinc/31/03/19/564310319.db2.gz NLHUPIXHBSCHEL-ZUAYTMNPSA-N 2 2 383.330 2.522 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C/C=C\c2ccc(Br)cc2)C[C@H](C)O1 ZINC000566122546 564310323 /nfs/dbraw/zinc/31/03/23/564310323.db2.gz NLHUPIXHBSCHEL-ZUAYTMNPSA-N 2 2 383.330 2.522 20 0 GFADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064664 564324495 /nfs/dbraw/zinc/32/44/95/564324495.db2.gz LOCYPLZVGOZCPU-MSOLQXFVSA-N 2 2 385.599 2.706 20 0 GFADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000510064664 564324497 /nfs/dbraw/zinc/32/44/97/564324497.db2.gz LOCYPLZVGOZCPU-MSOLQXFVSA-N 2 2 385.599 2.706 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080106 564425047 /nfs/dbraw/zinc/42/50/47/564425047.db2.gz NOUJCEJDDPVROB-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479080106 564425049 /nfs/dbraw/zinc/42/50/49/564425049.db2.gz NOUJCEJDDPVROB-IAGOWNOFSA-N 2 2 380.330 2.756 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc4cnccn34)[nH+]c12 ZINC000546058963 564441875 /nfs/dbraw/zinc/44/18/75/564441875.db2.gz HLDVGIJZHXALMC-UHFFFAOYSA-N 2 2 385.269 2.780 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC[NH+]3CCCC3)[nH+]c12 ZINC000546827796 564470836 /nfs/dbraw/zinc/47/08/36/564470836.db2.gz HKIHNSZIWDQZIY-UHFFFAOYSA-N 2 2 394.317 2.690 20 0 GFADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1I ZINC000481175370 564505004 /nfs/dbraw/zinc/50/50/04/564505004.db2.gz PVWOQOUOCGVSKW-ZDUSSCGKSA-N 2 2 388.293 2.789 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(Br)c2F)C1=O ZINC000516621630 564506772 /nfs/dbraw/zinc/50/67/72/564506772.db2.gz YHUXTHAVHDGYIL-AWEZNQCLSA-N 2 2 395.276 2.603 20 0 GFADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961861 564574482 /nfs/dbraw/zinc/57/44/82/564574482.db2.gz PYFHEZDLITWDAO-INIZCTEOSA-N 2 2 383.330 2.747 20 0 GFADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961861 564574485 /nfs/dbraw/zinc/57/44/85/564574485.db2.gz PYFHEZDLITWDAO-INIZCTEOSA-N 2 2 383.330 2.747 20 0 GFADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C[NH+](C)C ZINC000552239851 564682622 /nfs/dbraw/zinc/68/26/22/564682622.db2.gz VTCIVRFSDKTLNT-WMLDXEAASA-N 2 2 382.346 2.900 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309002 564841074 /nfs/dbraw/zinc/84/10/74/564841074.db2.gz HMGXCFOIISTREO-CJNGLKHVSA-N 2 2 389.297 2.777 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309002 564841080 /nfs/dbraw/zinc/84/10/80/564841080.db2.gz HMGXCFOIISTREO-CJNGLKHVSA-N 2 2 389.297 2.777 20 0 GFADLP CN(CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH+](C)C ZINC000582509673 564849466 /nfs/dbraw/zinc/84/94/66/564849466.db2.gz LKPYRNYQKUHENI-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP CN(CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH+](C)C ZINC000582509673 564849470 /nfs/dbraw/zinc/84/94/70/564849470.db2.gz LKPYRNYQKUHENI-UHFFFAOYSA-N 2 2 375.344 2.747 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000498425789 564898632 /nfs/dbraw/zinc/89/86/32/564898632.db2.gz YOGDCLJKQPWLSN-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000498425789 564898637 /nfs/dbraw/zinc/89/86/37/564898637.db2.gz YOGDCLJKQPWLSN-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP Cc1cc[nH+]cc1CCC[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000558407168 564899882 /nfs/dbraw/zinc/89/98/82/564899882.db2.gz FUMKGOFCZBOXAE-UHFFFAOYSA-N 2 2 381.929 2.934 20 0 GFADLP C[C@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000465733998 564931615 /nfs/dbraw/zinc/93/16/15/564931615.db2.gz ZEFWYSOVCHUBHR-SWLSCSKDSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@H]1C[C@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000465733998 564931617 /nfs/dbraw/zinc/93/16/17/564931617.db2.gz ZEFWYSOVCHUBHR-SWLSCSKDSA-N 2 2 394.317 2.721 20 0 GFADLP O[C@@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000466375784 564938877 /nfs/dbraw/zinc/93/88/77/564938877.db2.gz YOKOLRZVDHLCST-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@@]1(C[NH2+]Cc2cncc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000466375784 564938881 /nfs/dbraw/zinc/93/88/81/564938881.db2.gz YOKOLRZVDHLCST-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP CN(C)c1nc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cc[nH+]1 ZINC000533072030 564953930 /nfs/dbraw/zinc/95/39/30/564953930.db2.gz QFHXXZGAQHXWGG-UHFFFAOYSA-N 2 2 376.302 2.627 20 0 GFADLP Cc1cc(Br)c(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000560359857 564958876 /nfs/dbraw/zinc/95/88/76/564958876.db2.gz JJAKSISMGTZDEN-ZDUSSCGKSA-N 2 2 397.342 2.833 20 0 GFADLP O=C(CCn1cc[nH+]c1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561048327 564982411 /nfs/dbraw/zinc/98/24/11/564982411.db2.gz KSWCBNCOKUUUBE-UHFFFAOYSA-N 2 2 392.257 2.554 20 0 GFADLP CC(=O)NCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(Br)s1 ZINC000503246500 565016070 /nfs/dbraw/zinc/01/60/70/565016070.db2.gz ZYLYOEARNSXEMK-CQSZACIVSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(Br)s1 ZINC000503246500 565016074 /nfs/dbraw/zinc/01/60/74/565016074.db2.gz ZYLYOEARNSXEMK-CQSZACIVSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000503246500 565016076 /nfs/dbraw/zinc/01/60/76/565016076.db2.gz ZYLYOEARNSXEMK-CQSZACIVSA-N 2 2 388.375 2.933 20 0 GFADLP CC(=O)NCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(Br)s1 ZINC000503246500 565016080 /nfs/dbraw/zinc/01/60/80/565016080.db2.gz ZYLYOEARNSXEMK-CQSZACIVSA-N 2 2 388.375 2.933 20 0 GFADLP Cc1cc(Br)ccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000536661464 565044597 /nfs/dbraw/zinc/04/45/97/565044597.db2.gz RKWGKNVMZDCONV-UHFFFAOYSA-N 2 2 390.329 2.936 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NCc3c(F)cncc3Br)CC2)CC1 ZINC000657338406 565097398 /nfs/dbraw/zinc/09/73/98/565097398.db2.gz WWUJMWQATNTUKT-UHFFFAOYSA-N 2 2 385.325 2.631 20 0 GFADLP C[NH+]1CCC(N2CCC([NH2+]Cc3c(F)cncc3Br)CC2)CC1 ZINC000657338406 565097403 /nfs/dbraw/zinc/09/74/03/565097403.db2.gz WWUJMWQATNTUKT-UHFFFAOYSA-N 2 2 385.325 2.631 20 0 GFADLP Cc1c(Br)cncc1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000657322570 565098028 /nfs/dbraw/zinc/09/80/28/565098028.db2.gz TXBMOTSPLHINEB-UHFFFAOYSA-N 2 2 376.302 2.911 20 0 GFADLP COC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C1CCOCC1 ZINC000657565887 565108685 /nfs/dbraw/zinc/10/86/85/565108685.db2.gz VWHRJQVPBDEEMU-MRXNPFEDSA-N 2 2 382.302 2.936 20 0 GFADLP Brc1cnc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cnn2c1 ZINC000638184590 565187450 /nfs/dbraw/zinc/18/74/50/565187450.db2.gz YSDHNAWZSQETBD-DYVFJYSZSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnn2c1 ZINC000638184590 565187453 /nfs/dbraw/zinc/18/74/53/565187453.db2.gz YSDHNAWZSQETBD-DYVFJYSZSA-N 2 2 390.329 2.941 20 0 GFADLP Brc1cnc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184590 565187460 /nfs/dbraw/zinc/18/74/60/565187460.db2.gz YSDHNAWZSQETBD-DYVFJYSZSA-N 2 2 390.329 2.941 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000638172047 565188064 /nfs/dbraw/zinc/18/80/64/565188064.db2.gz NHONFOWVBOIZMV-IUODEOHRSA-N 2 2 375.274 2.771 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C[C@H]1n1cc[nH+]c1 ZINC000638172047 565188068 /nfs/dbraw/zinc/18/80/68/565188068.db2.gz NHONFOWVBOIZMV-IUODEOHRSA-N 2 2 375.274 2.771 20 0 GFADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccc1Br ZINC000639275271 565237901 /nfs/dbraw/zinc/23/79/01/565237901.db2.gz OPCDBUJNGQFBFB-UHFFFAOYSA-N 2 2 398.345 2.521 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c(Cl)cccc1Br ZINC000617763141 565256960 /nfs/dbraw/zinc/25/69/60/565256960.db2.gz GPXWMMNNCSQFSN-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c(Cl)cccc1Br ZINC000617763141 565256964 /nfs/dbraw/zinc/25/69/64/565256964.db2.gz GPXWMMNNCSQFSN-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767228 565257875 /nfs/dbraw/zinc/25/78/75/565257875.db2.gz LKWZLALPNKJBCK-ZDUSSCGKSA-N 2 2 376.328 2.760 20 0 GFADLP C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767228 565257883 /nfs/dbraw/zinc/25/78/83/565257883.db2.gz LKWZLALPNKJBCK-ZDUSSCGKSA-N 2 2 376.328 2.760 20 0 GFADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cscn1 ZINC000661419723 565322570 /nfs/dbraw/zinc/32/25/70/565322570.db2.gz PTOUTXDKKLICLA-AWEZNQCLSA-N 2 2 376.551 2.981 20 0 GFADLP Cc1cccn2cc(CNC(=O)c3sc4c(c3Br)C[NH2+]C4)[nH+]c12 ZINC000662453280 565368685 /nfs/dbraw/zinc/36/86/85/565368685.db2.gz WXQNCZUDAQAXRH-UHFFFAOYSA-N 2 2 391.294 3.000 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662534943 565374509 /nfs/dbraw/zinc/37/45/09/565374509.db2.gz HHMHBFJLSATOOI-LLVKDONJSA-N 2 2 392.301 2.563 20 0 GFADLP Cc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000641774921 565398643 /nfs/dbraw/zinc/39/86/43/565398643.db2.gz VKFOKEISZDJRAL-FUHWJXTLSA-N 2 2 396.373 2.815 20 0 GFADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000641785769 565399595 /nfs/dbraw/zinc/39/95/95/565399595.db2.gz DTCVSUIIEBINHZ-IRXDYDNUSA-N 2 2 396.373 2.896 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000594736503 565413199 /nfs/dbraw/zinc/41/31/99/565413199.db2.gz QIWNSXPKUAJFNI-UHFFFAOYSA-N 2 2 387.318 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000594736503 565413205 /nfs/dbraw/zinc/41/32/05/565413205.db2.gz QIWNSXPKUAJFNI-UHFFFAOYSA-N 2 2 387.318 2.869 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663438155 565421822 /nfs/dbraw/zinc/42/18/22/565421822.db2.gz FVBJIPCDSRJNIG-OAHLLOKOSA-N 2 2 398.370 2.740 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[C@@H](C)[NH+](C)C)[nH+]c12 ZINC000664647937 565471763 /nfs/dbraw/zinc/47/17/63/565471763.db2.gz WOTSIVYZUCLWTL-CYBMUJFWSA-N 2 2 396.333 2.587 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000644567915 565482811 /nfs/dbraw/zinc/48/28/11/565482811.db2.gz OFVFVGWBQRTISM-IIDMSEBBSA-N 2 2 397.357 2.540 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000644601365 565484003 /nfs/dbraw/zinc/48/40/03/565484003.db2.gz HVSIUZWEFRRIIT-INIZCTEOSA-N 2 2 379.298 2.737 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000644601365 565484007 /nfs/dbraw/zinc/48/40/07/565484007.db2.gz HVSIUZWEFRRIIT-INIZCTEOSA-N 2 2 379.298 2.737 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000667144570 565572592 /nfs/dbraw/zinc/57/25/92/565572592.db2.gz OOKZRLOZPASHDV-UHFFFAOYSA-N 2 2 398.349 2.727 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000667144570 565572597 /nfs/dbraw/zinc/57/25/97/565572597.db2.gz OOKZRLOZPASHDV-UHFFFAOYSA-N 2 2 398.349 2.727 20 0 GFADLP CC1([NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000646993685 565631098 /nfs/dbraw/zinc/63/10/98/565631098.db2.gz DPFMIAFWYLXMEZ-MRXNPFEDSA-N 2 2 380.330 2.926 20 0 GFADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646985663 565631305 /nfs/dbraw/zinc/63/13/05/565631305.db2.gz FQDLGZPQHZTMHF-SJORKVTESA-N 2 2 380.330 2.844 20 0 GFADLP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985540 565668032 /nfs/dbraw/zinc/66/80/32/565668032.db2.gz SNQCGBJBCNLLAJ-HKUYNNGSSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985540 565668035 /nfs/dbraw/zinc/66/80/35/565668035.db2.gz SNQCGBJBCNLLAJ-HKUYNNGSSA-N 2 2 381.973 2.858 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH+]c12 ZINC000647794224 565676716 /nfs/dbraw/zinc/67/67/16/565676716.db2.gz VHEYYMAMZAWFMX-OFQRWUPVSA-N 3 2 377.330 2.925 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649322180 565758035 /nfs/dbraw/zinc/75/80/35/565758035.db2.gz DALSQDAWWABTFR-XDNAFOTISA-N 2 2 392.341 2.510 20 0 GFADLP O[C@@H](C[NH2+]Cc1cc(Br)ccc1Br)C[NH+]1CCCC1 ZINC000629575635 565860345 /nfs/dbraw/zinc/86/03/45/565860345.db2.gz JUDUIRZNMKUNKY-ZDUSSCGKSA-N 2 2 392.135 2.758 20 0 GFADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604191 565864152 /nfs/dbraw/zinc/86/41/52/565864152.db2.gz STKRNJOBMQPIJB-IAGOWNOFSA-N 2 2 383.330 2.795 20 0 GFADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1ccc(Br)cc1 ZINC000629604191 565864157 /nfs/dbraw/zinc/86/41/57/565864157.db2.gz STKRNJOBMQPIJB-IAGOWNOFSA-N 2 2 383.330 2.795 20 0 GFADLP CC(C)[C@H](C[NH2+]Cc1ncc(Br)cc1Cl)N1CC[NH+](C)CC1 ZINC000631038716 565934505 /nfs/dbraw/zinc/93/45/05/565934505.db2.gz IAIJWBAONBNAAC-INIZCTEOSA-N 2 2 389.769 2.859 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000653079163 565954179 /nfs/dbraw/zinc/95/41/79/565954179.db2.gz VELALAPEOSWKLM-QZTJIDSGSA-N 2 2 390.325 2.934 20 0 GFADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148928 565956337 /nfs/dbraw/zinc/95/63/37/565956337.db2.gz QBAVVIBBRQVTHM-QGZVFWFLSA-N 3 2 389.371 2.553 20 0 GFADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000653653614 565976307 /nfs/dbraw/zinc/97/63/07/565976307.db2.gz VVSFVSRREPETBM-GFCCVEGCSA-N 2 2 384.322 2.904 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)cn3)CC2)CC1 ZINC000677738380 565982278 /nfs/dbraw/zinc/98/22/78/565982278.db2.gz JHAJMZSKWHPUNV-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679832511 566055257 /nfs/dbraw/zinc/05/52/57/566055257.db2.gz QYKIQLSZHWTAKI-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000679832511 566055261 /nfs/dbraw/zinc/05/52/61/566055261.db2.gz QYKIQLSZHWTAKI-OALUTQOASA-N 2 2 393.325 2.565 20 0 GFADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1Cl ZINC000682133001 566145508 /nfs/dbraw/zinc/14/55/08/566145508.db2.gz QCJCPNRPKQNUSQ-HNNXBMFYSA-N 2 2 388.737 2.917 20 0 GFADLP C[NH+]1CCC([NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000736855037 598493355 /nfs/dbraw/zinc/49/33/55/598493355.db2.gz IJPGMVYBHDUFBI-UHFFFAOYSA-N 2 2 378.480 2.630 20 0 GFADLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524329 598532508 /nfs/dbraw/zinc/53/25/08/598532508.db2.gz UXVNTSUJFWEPDL-DYESRHJHSA-N 2 2 394.523 2.743 20 0 GFADLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524329 598532510 /nfs/dbraw/zinc/53/25/10/598532510.db2.gz UXVNTSUJFWEPDL-DYESRHJHSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524329 598532512 /nfs/dbraw/zinc/53/25/12/598532512.db2.gz UXVNTSUJFWEPDL-DYESRHJHSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524329 598532514 /nfs/dbraw/zinc/53/25/14/598532514.db2.gz UXVNTSUJFWEPDL-DYESRHJHSA-N 2 2 394.523 2.743 20 0 GFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736096429 598561245 /nfs/dbraw/zinc/56/12/45/598561245.db2.gz MABQXUDRZXHGGJ-MRXNPFEDSA-N 2 2 389.463 2.821 20 0 GFADLP Cc1cccc2c(NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334432 599486300 /nfs/dbraw/zinc/48/63/00/599486300.db2.gz CWZDUFBGHMTFCY-SFHVURJKSA-N 2 2 391.454 2.999 20 0 GFADLP C[NH+](C)C1CC[NH+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)CC1 ZINC000825856383 608559588 /nfs/dbraw/zinc/55/95/88/608559588.db2.gz UMRDEZLWXAEBBX-UHFFFAOYSA-N 2 2 392.507 2.972 20 0 GFADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825976244 608651391 /nfs/dbraw/zinc/65/13/91/608651391.db2.gz HXCGWZCYAXRPFM-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825976244 608651393 /nfs/dbraw/zinc/65/13/93/608651393.db2.gz HXCGWZCYAXRPFM-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825976244 608651396 /nfs/dbraw/zinc/65/13/96/608651396.db2.gz HXCGWZCYAXRPFM-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1cccc(-c2nn[nH]n2)c1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825976244 608651397 /nfs/dbraw/zinc/65/13/97/608651397.db2.gz HXCGWZCYAXRPFM-QGZVFWFLSA-N 2 2 380.471 2.960 20 0 GFADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627089 609323468 /nfs/dbraw/zinc/32/34/68/609323468.db2.gz UECXHBBJBBBSEC-OAHLLOKOSA-N 2 2 396.470 2.689 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594266 609336457 /nfs/dbraw/zinc/33/64/57/609336457.db2.gz JFOPYYLWNIQMMP-KHYOSLBOSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@@H](C)C1 ZINC000825594266 609336459 /nfs/dbraw/zinc/33/64/59/609336459.db2.gz JFOPYYLWNIQMMP-KHYOSLBOSA-N 2 2 390.507 2.793 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000817659174 660204902 /nfs/dbraw/zinc/20/49/02/660204902.db2.gz QSIIWHQKYHQSJQ-UHFFFAOYSA-N 2 2 387.355 2.964 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)CC1 ZINC000817659174 660204905 /nfs/dbraw/zinc/20/49/05/660204905.db2.gz QSIIWHQKYHQSJQ-UHFFFAOYSA-N 2 2 387.355 2.964 20 0 GFADLP CC(C)[C@H](C[NH2+][C@@H](C)c1nc(Br)cs1)N1CC[NH+](C)CC1 ZINC000834502821 660822755 /nfs/dbraw/zinc/82/27/55/660822755.db2.gz UJCBJXUJZNCEQK-STQMWFEESA-N 2 2 375.380 2.828 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000838686407 661054681 /nfs/dbraw/zinc/05/46/81/661054681.db2.gz MAEHAZUSGCOCOX-MRXNPFEDSA-N 2 2 379.376 2.628 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000838686407 661054685 /nfs/dbraw/zinc/05/46/85/661054685.db2.gz MAEHAZUSGCOCOX-MRXNPFEDSA-N 2 2 379.376 2.628 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112403840 655190765 /nfs/dbraw/zinc/19/07/65/655190765.db2.gz VEEYVYZQBNGVRQ-UHFFFAOYSA-N 2 2 378.567 2.970 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000112403840 655190767 /nfs/dbraw/zinc/19/07/67/655190767.db2.gz VEEYVYZQBNGVRQ-UHFFFAOYSA-N 2 2 378.567 2.970 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000120681081 655342199 /nfs/dbraw/zinc/34/21/99/655342199.db2.gz KSDUWRDNQJACCO-UHFFFAOYSA-N 2 2 380.290 2.700 20 0 GFADLP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000120681081 655342201 /nfs/dbraw/zinc/34/22/01/655342201.db2.gz KSDUWRDNQJACCO-UHFFFAOYSA-N 2 2 380.290 2.700 20 0 GFADLP Cc1cc(OC(F)F)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000265145497 655478191 /nfs/dbraw/zinc/47/81/91/655478191.db2.gz XCJZQOLBICJMLQ-UHFFFAOYSA-N 2 2 375.485 2.756 20 0 GFADLP Cc1cc(OC(F)F)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000265145497 655478192 /nfs/dbraw/zinc/47/81/92/655478192.db2.gz XCJZQOLBICJMLQ-UHFFFAOYSA-N 2 2 375.485 2.756 20 0 GFADLP COc1ccc(Cl)c(NC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000743000124 655724347 /nfs/dbraw/zinc/72/43/47/655724347.db2.gz PLGRTNCNMMZDTF-ZDUSSCGKSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(Cl)c(NC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000743000124 655724348 /nfs/dbraw/zinc/72/43/48/655724348.db2.gz PLGRTNCNMMZDTF-ZDUSSCGKSA-N 2 2 382.961 2.804 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1Cl ZINC000841103326 661233254 /nfs/dbraw/zinc/23/32/54/661233254.db2.gz GPPIBFMMOHBQLE-DGCLKSJQSA-N 2 2 380.842 2.811 20 0 GFADLP Cn1nc(Br)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000784299570 657300447 /nfs/dbraw/zinc/30/04/47/657300447.db2.gz JOUKNYJSEGOPLP-UHFFFAOYSA-N 2 2 393.333 2.720 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(Cl)sc3Cl)CC2)CC1 ZINC000847409010 661591187 /nfs/dbraw/zinc/59/11/87/661591187.db2.gz HMPNMYCDBSMBKC-UHFFFAOYSA-N 2 2 377.341 2.738 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]([NH3+])c2ccccc2Br)c1C ZINC000852798281 661874704 /nfs/dbraw/zinc/87/47/04/661874704.db2.gz IGLPMDNPDBOWMB-OAHLLOKOSA-N 2 2 378.270 2.786 20 0 GFADLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC000865470975 662423784 /nfs/dbraw/zinc/42/37/84/662423784.db2.gz HYWRAVXVCWQSJT-UHFFFAOYSA-N 2 2 381.307 2.970 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000877985490 662887614 /nfs/dbraw/zinc/88/76/14/662887614.db2.gz ZTZCAPLPZMYDIH-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000877985490 662887615 /nfs/dbraw/zinc/88/76/15/662887615.db2.gz ZTZCAPLPZMYDIH-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP Brc1ccc2c(c1)OCC[N@@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766074 663806095 /nfs/dbraw/zinc/80/60/95/663806095.db2.gz OATCARWXKSNBDD-INIZCTEOSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1ccc2c(c1)OCC[N@H+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903766074 663806099 /nfs/dbraw/zinc/80/60/99/663806099.db2.gz OATCARWXKSNBDD-INIZCTEOSA-N 2 2 381.314 2.802 20 0 GFADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501649 664631466 /nfs/dbraw/zinc/63/14/66/664631466.db2.gz RTSYAXUYXZVWML-HIFRSBDPSA-N 2 2 379.551 2.630 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501649 664631467 /nfs/dbraw/zinc/63/14/67/664631467.db2.gz RTSYAXUYXZVWML-HIFRSBDPSA-N 2 2 379.551 2.630 20 0 GFADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000924946535 664664338 /nfs/dbraw/zinc/66/43/38/664664338.db2.gz UPNOTGIFKVKHNU-NSHDSACASA-N 2 2 378.826 2.569 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164698322 719885866 /nfs/dbraw/zinc/88/58/66/719885866.db2.gz FHCYHKZVUSODSF-UHFFFAOYSA-N 2 2 387.553 2.866 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164698322 719885869 /nfs/dbraw/zinc/88/58/69/719885869.db2.gz FHCYHKZVUSODSF-UHFFFAOYSA-N 2 2 387.553 2.866 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc(C(C)C)[nH+]1 ZINC001164819599 720293869 /nfs/dbraw/zinc/29/38/69/720293869.db2.gz DQTXVGXLUJHAPS-WOJBJXKFSA-N 2 2 385.556 2.820 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833254 720506096 /nfs/dbraw/zinc/50/60/96/720506096.db2.gz CGOIUGJEFGKELR-IPMKNSEASA-N 2 2 383.544 2.507 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833254 720506098 /nfs/dbraw/zinc/50/60/98/720506098.db2.gz CGOIUGJEFGKELR-IPMKNSEASA-N 2 2 383.544 2.507 20 0 GFADLP c1[nH+]cn2c1CN(c1ncccc1C[NH+]1CCCC1)C[C@H](COCC1CC1)C2 ZINC001164756459 720981929 /nfs/dbraw/zinc/98/19/29/720981929.db2.gz IMYAGXOYUYRBAA-IBGZPJMESA-N 2 2 381.524 2.937 20 0 GFADLP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000359934159 209203851 /nfs/dbraw/zinc/20/38/51/209203851.db2.gz HWIAZEDSXMTGFJ-UHFFFAOYSA-N 2 2 382.508 2.718 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000130407650 551364697 /nfs/dbraw/zinc/36/46/97/551364697.db2.gz BQBSQTXJZRACOP-HNNXBMFYSA-N 2 2 383.265 2.642 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000130407650 551364699 /nfs/dbraw/zinc/36/46/99/551364699.db2.gz BQBSQTXJZRACOP-HNNXBMFYSA-N 2 2 383.265 2.642 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000152687329 551437885 /nfs/dbraw/zinc/43/78/85/551437885.db2.gz RLDKLVJORZZCKV-BBRMVZONSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000152687329 551437886 /nfs/dbraw/zinc/43/78/86/551437886.db2.gz RLDKLVJORZZCKV-BBRMVZONSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000153815329 551461057 /nfs/dbraw/zinc/46/10/57/551461057.db2.gz MCYPWFBPVHQQBT-CQSZACIVSA-N 2 2 387.391 2.985 20 0 GFADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000159297969 551562968 /nfs/dbraw/zinc/56/29/68/551562968.db2.gz UCYYARWGJWEXGU-GFCCVEGCSA-N 2 2 376.469 2.826 20 0 GFADLP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)ccc1Br ZINC000167182872 551633114 /nfs/dbraw/zinc/63/31/14/551633114.db2.gz RVZBLCJYEUBHSV-INIZCTEOSA-N 2 2 377.286 2.776 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000167617052 551633640 /nfs/dbraw/zinc/63/36/40/551633640.db2.gz VULWCCGIBVXDEO-RDJZCZTQSA-N 2 2 380.330 2.654 20 0 GFADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000175536603 552124132 /nfs/dbraw/zinc/12/41/32/552124132.db2.gz CTRNFTZAZZSXKU-CQSZACIVSA-N 2 2 397.361 2.835 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000180129183 552214275 /nfs/dbraw/zinc/21/42/75/552214275.db2.gz YISIQWJXISNSTH-QGZVFWFLSA-N 2 2 388.339 2.559 20 0 GFADLP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183533680 552312503 /nfs/dbraw/zinc/31/25/03/552312503.db2.gz KLTJVNUSYJNUMH-UHFFFAOYSA-N 2 2 384.311 2.775 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247959798 553126756 /nfs/dbraw/zinc/12/67/56/553126756.db2.gz GBQNAUFNOSQHMK-HDMKZQKVSA-N 2 2 392.345 2.929 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247959798 553126757 /nfs/dbraw/zinc/12/67/57/553126757.db2.gz GBQNAUFNOSQHMK-HDMKZQKVSA-N 2 2 392.345 2.929 20 0 GFADLP FC(F)(F)COCCC[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000547502913 564491035 /nfs/dbraw/zinc/49/10/35/564491035.db2.gz NSSJQMXXESQKDG-UHFFFAOYSA-N 2 2 382.224 2.935 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418495316 563218649 /nfs/dbraw/zinc/21/86/49/563218649.db2.gz UEDGWTVZDUCWMM-YOEHRIQHSA-N 2 2 397.361 2.822 20 0 GFADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094296 563228821 /nfs/dbraw/zinc/22/88/21/563228821.db2.gz JQRLIRXFTRPAEI-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000295094296 563228824 /nfs/dbraw/zinc/22/88/24/563228824.db2.gz JQRLIRXFTRPAEI-KRWDZBQOSA-N 2 2 381.314 2.661 20 0 GFADLP CN(C(=O)Cc1ccccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830010 563257074 /nfs/dbraw/zinc/25/70/74/563257074.db2.gz KORWGMPSOSSGCP-QGZVFWFLSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1ccccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830010 563257075 /nfs/dbraw/zinc/25/70/75/563257075.db2.gz KORWGMPSOSSGCP-QGZVFWFLSA-N 2 2 394.357 2.619 20 0 GFADLP COc1cc(Br)ccc1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423036532 563353326 /nfs/dbraw/zinc/35/33/26/563353326.db2.gz UHCCSTKQFPRGCD-MSOLQXFVSA-N 2 2 383.330 2.747 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1I ZINC000423091431 563354650 /nfs/dbraw/zinc/35/46/50/563354650.db2.gz XCBFILSLRKSACV-MFKMUULPSA-N 2 2 394.684 2.801 20 0 GFADLP CC(C)n1c[nH+]cc1CNc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000424719514 563388474 /nfs/dbraw/zinc/38/84/74/563388474.db2.gz KGHHAJAWSPNOQV-UHFFFAOYSA-N 2 2 393.333 2.985 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510884 563408367 /nfs/dbraw/zinc/40/83/67/563408367.db2.gz DXAKAYOMAFLMOV-SUMWQHHRSA-N 2 2 378.567 2.629 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC(=O)NCc3cccs3)[C@@H](C)C2)s1 ZINC000375510884 563408370 /nfs/dbraw/zinc/40/83/70/563408370.db2.gz DXAKAYOMAFLMOV-SUMWQHHRSA-N 2 2 378.567 2.629 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691464 563483434 /nfs/dbraw/zinc/48/34/34/563483434.db2.gz AAUVBFKIHSBYNA-QWHCGFSZSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691464 563483435 /nfs/dbraw/zinc/48/34/35/563483435.db2.gz AAUVBFKIHSBYNA-QWHCGFSZSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691464 563483436 /nfs/dbraw/zinc/48/34/36/563483436.db2.gz AAUVBFKIHSBYNA-QWHCGFSZSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](CO)C3)sc2C1 ZINC000377691464 563483437 /nfs/dbraw/zinc/48/34/37/563483437.db2.gz AAUVBFKIHSBYNA-QWHCGFSZSA-N 2 2 377.476 2.902 20 0 GFADLP C[C@@]12CC[N@H+](Cc3cc[nH+]c(N)c3)C[C@@H]1C2(Br)Br ZINC000284750665 563488852 /nfs/dbraw/zinc/48/88/52/563488852.db2.gz LLNWLIYQPKIKEL-CMPLNLGQSA-N 2 2 375.108 2.992 20 0 GFADLP C[C@@]12CC[N@@H+](Cc3cc[nH+]c(N)c3)C[C@@H]1C2(Br)Br ZINC000284750665 563488856 /nfs/dbraw/zinc/48/88/56/563488856.db2.gz LLNWLIYQPKIKEL-CMPLNLGQSA-N 2 2 375.108 2.992 20 0 GFADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000377886907 563490412 /nfs/dbraw/zinc/49/04/12/563490412.db2.gz BHDHYAPOWSOVHU-AWEZNQCLSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1 ZINC000377886907 563490414 /nfs/dbraw/zinc/49/04/14/563490414.db2.gz BHDHYAPOWSOVHU-AWEZNQCLSA-N 2 2 378.270 2.959 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435754 563520827 /nfs/dbraw/zinc/52/08/27/563520827.db2.gz HURHRCLNWOBJHT-SJPCQFCGSA-N 2 2 394.357 2.965 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435754 563520829 /nfs/dbraw/zinc/52/08/29/563520829.db2.gz HURHRCLNWOBJHT-SJPCQFCGSA-N 2 2 394.357 2.965 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435754 563520831 /nfs/dbraw/zinc/52/08/31/563520831.db2.gz HURHRCLNWOBJHT-SJPCQFCGSA-N 2 2 394.357 2.965 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285435754 563520833 /nfs/dbraw/zinc/52/08/33/563520833.db2.gz HURHRCLNWOBJHT-SJPCQFCGSA-N 2 2 394.357 2.965 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000429672559 563521188 /nfs/dbraw/zinc/52/11/88/563521188.db2.gz ONDVGLGOQHPWFN-QGZVFWFLSA-N 2 2 386.323 2.531 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000429672559 563521191 /nfs/dbraw/zinc/52/11/91/563521191.db2.gz ONDVGLGOQHPWFN-QGZVFWFLSA-N 2 2 386.323 2.531 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550484 563545088 /nfs/dbraw/zinc/54/50/88/563545088.db2.gz GLMDDCCZDCZRSB-GXTWGEPZSA-N 2 2 379.302 2.982 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550484 563545091 /nfs/dbraw/zinc/54/50/91/563545091.db2.gz GLMDDCCZDCZRSB-GXTWGEPZSA-N 2 2 379.302 2.982 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000430905603 563550327 /nfs/dbraw/zinc/55/03/27/563550327.db2.gz FYFMBYXRKUNCKY-WMLDXEAASA-N 2 2 382.346 2.900 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000286194246 563551928 /nfs/dbraw/zinc/55/19/28/563551928.db2.gz AJQUVQMYPJPQMQ-HNNXBMFYSA-N 2 2 393.329 2.802 20 0 GFADLP Cc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000437862042 563700247 /nfs/dbraw/zinc/70/02/47/563700247.db2.gz DCCWLILDVLNXHB-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000437862042 563700249 /nfs/dbraw/zinc/70/02/49/563700249.db2.gz DCCWLILDVLNXHB-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](CC(C)(C)O)C[C@H]3C)c[nH+]c12 ZINC000438281884 563703587 /nfs/dbraw/zinc/70/35/87/563703587.db2.gz LWJPYKSXZGIGND-CQSZACIVSA-N 2 2 395.345 2.682 20 0 GFADLP Cc1cc(Br)cn2c(CN3CC[N@H+](CC(C)(C)O)C[C@H]3C)c[nH+]c12 ZINC000438281884 563703591 /nfs/dbraw/zinc/70/35/91/563703591.db2.gz LWJPYKSXZGIGND-CQSZACIVSA-N 2 2 395.345 2.682 20 0 GFADLP C[NH+]1CCN(C(=O)c2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000290581313 563715071 /nfs/dbraw/zinc/71/50/71/563715071.db2.gz VWSVKMDHICMZMF-UHFFFAOYSA-N 2 2 389.297 2.844 20 0 GFADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000414490355 563744658 /nfs/dbraw/zinc/74/46/58/563744658.db2.gz AWKXXVISHKSYLW-UHFFFAOYSA-N 2 2 387.958 2.942 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802534 563764602 /nfs/dbraw/zinc/76/46/02/563764602.db2.gz FOBBUQPGJGVWBT-HIFRSBDPSA-N 2 2 388.375 2.568 20 0 GFADLP CSCc1cnc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000293736979 563823257 /nfs/dbraw/zinc/82/32/57/563823257.db2.gz ZTYROKWQJUAWQB-UHFFFAOYSA-N 2 2 378.567 2.587 20 0 GFADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102568 563864156 /nfs/dbraw/zinc/86/41/56/563864156.db2.gz OUBOBVOVOQOWGP-TZMCWYRMSA-N 2 2 382.917 2.569 20 0 GFADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000368102568 563864160 /nfs/dbraw/zinc/86/41/60/563864160.db2.gz OUBOBVOVOQOWGP-TZMCWYRMSA-N 2 2 382.917 2.569 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276913 563891343 /nfs/dbraw/zinc/89/13/43/563891343.db2.gz JDMXLDIKJBGWQD-KRWDZBQOSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276913 563891345 /nfs/dbraw/zinc/89/13/45/563891345.db2.gz JDMXLDIKJBGWQD-KRWDZBQOSA-N 2 2 381.973 2.858 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]c12 ZINC000418021126 563895733 /nfs/dbraw/zinc/89/57/33/563895733.db2.gz OYHZTHLIIDMUGU-UONOGXRCSA-N 2 2 394.317 2.517 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000449128519 563907083 /nfs/dbraw/zinc/90/70/83/563907083.db2.gz ZJYPZHTZLROPDY-HNNXBMFYSA-N 2 2 388.737 2.840 20 0 GFADLP Cc1cc(Br)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000449128519 563907084 /nfs/dbraw/zinc/90/70/84/563907084.db2.gz ZJYPZHTZLROPDY-HNNXBMFYSA-N 2 2 388.737 2.840 20 0 GFADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395388 564184873 /nfs/dbraw/zinc/18/48/73/564184873.db2.gz PSLQLSIOUBYCPO-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395388 564184876 /nfs/dbraw/zinc/18/48/76/564184876.db2.gz PSLQLSIOUBYCPO-HNNXBMFYSA-N 2 2 378.314 2.934 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563357039 564187294 /nfs/dbraw/zinc/18/72/94/564187294.db2.gz ZQAWZNXZHPHLDH-HNNXBMFYSA-N 2 2 391.313 2.631 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563357039 564187297 /nfs/dbraw/zinc/18/72/97/564187297.db2.gz ZQAWZNXZHPHLDH-HNNXBMFYSA-N 2 2 391.313 2.631 20 0 GFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)CCC2 ZINC000564852581 564252280 /nfs/dbraw/zinc/25/22/80/564252280.db2.gz NGGSCQDPHNSLFL-GDBMZVCRSA-N 2 2 394.313 2.861 20 0 GFADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564951364 564259129 /nfs/dbraw/zinc/25/91/29/564259129.db2.gz HEEWSWYSVSSVFG-JLJPHGGASA-N 2 2 380.330 2.782 20 0 GFADLP CC[N@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000541837324 564291563 /nfs/dbraw/zinc/29/15/63/564291563.db2.gz HOTFBRIXDQMZIC-UHFFFAOYSA-N 2 2 394.317 2.689 20 0 GFADLP CC[N@@H+](CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)C1CC1 ZINC000541837324 564291564 /nfs/dbraw/zinc/29/15/64/564291564.db2.gz HOTFBRIXDQMZIC-UHFFFAOYSA-N 2 2 394.317 2.689 20 0 GFADLP Cc1cc(Br)cn2c(CN(CC[NH+](C)C)C[C@H]3CCCO3)c[nH+]c12 ZINC000568328461 564414110 /nfs/dbraw/zinc/41/41/10/564414110.db2.gz WHCOHHHCZOVWHI-QGZVFWFLSA-N 2 2 395.345 2.948 20 0 GFADLP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000568630371 564428106 /nfs/dbraw/zinc/42/81/06/564428106.db2.gz IOXNVZSKYRXSQB-QGZVFWFLSA-N 2 2 385.339 2.692 20 0 GFADLP O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000568630371 564428109 /nfs/dbraw/zinc/42/81/09/564428109.db2.gz IOXNVZSKYRXSQB-QGZVFWFLSA-N 2 2 385.339 2.692 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2nc(C(F)(F)F)cs2)CC1 ZINC000545916946 564437833 /nfs/dbraw/zinc/43/78/33/564437833.db2.gz WIUQTTUPLHDDEN-UHFFFAOYSA-N 2 2 379.448 2.712 20 0 GFADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278367 564481226 /nfs/dbraw/zinc/48/12/26/564481226.db2.gz GMCWKSOFSJMCQM-QMTHXVAHSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278367 564481231 /nfs/dbraw/zinc/48/12/31/564481231.db2.gz GMCWKSOFSJMCQM-QMTHXVAHSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000515054710 564466946 /nfs/dbraw/zinc/46/69/46/564466946.db2.gz MRWBUUDXIGRDHG-CPUCHLNUSA-N 2 2 391.339 2.570 20 0 GFADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)CC(F)(F)F ZINC000515055214 564467913 /nfs/dbraw/zinc/46/79/13/564467913.db2.gz VMKZXCLJQLFPFF-INIZCTEOSA-N 2 2 379.854 2.755 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]CCCn2cc[nH+]c2)c2cc(Br)ccc21 ZINC000480329272 564468862 /nfs/dbraw/zinc/46/88/62/564468862.db2.gz PQZTYMFILRSYRG-AWEZNQCLSA-N 2 2 384.299 2.544 20 0 GFADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546898984 564473527 /nfs/dbraw/zinc/47/35/27/564473527.db2.gz HBPQPENOPLHSOU-OAHLLOKOSA-N 2 2 379.302 2.896 20 0 GFADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546898984 564473535 /nfs/dbraw/zinc/47/35/35/564473535.db2.gz HBPQPENOPLHSOU-OAHLLOKOSA-N 2 2 379.302 2.896 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414563 564478263 /nfs/dbraw/zinc/47/82/63/564478263.db2.gz JMCYTIGGDHINOJ-RVKKMQEKSA-N 2 2 399.373 2.786 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Br)c2)C[C@H](C)O1 ZINC000515414563 564478264 /nfs/dbraw/zinc/47/82/64/564478264.db2.gz JMCYTIGGDHINOJ-RVKKMQEKSA-N 2 2 399.373 2.786 20 0 GFADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CCC1 ZINC000570928848 564527922 /nfs/dbraw/zinc/52/79/22/564527922.db2.gz RXYQQHUUXMDEPL-UHFFFAOYSA-N 2 2 380.208 2.877 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000482013735 564531538 /nfs/dbraw/zinc/53/15/38/564531538.db2.gz FOIYCMMHYPVYQV-UHFFFAOYSA-N 2 2 388.339 2.905 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455864621 564576762 /nfs/dbraw/zinc/57/67/62/564576762.db2.gz KPJLIONAIWJYQK-UHFFFAOYSA-N 2 2 384.322 2.904 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000519528523 564580129 /nfs/dbraw/zinc/58/01/29/564580129.db2.gz JZALARLYBYHUHM-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000519528523 564580134 /nfs/dbraw/zinc/58/01/34/564580134.db2.gz JZALARLYBYHUHM-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)[NH+]1CC(C)C1 ZINC000572255695 564586939 /nfs/dbraw/zinc/58/69/39/564586939.db2.gz RUXFWILJYJYBEB-AWEZNQCLSA-N 2 2 395.301 2.608 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)CCCC[NH+](C)C)[nH+]c12 ZINC000572648079 564603563 /nfs/dbraw/zinc/60/35/63/564603563.db2.gz NDYCNPVAPMOBCT-UHFFFAOYSA-N 2 2 381.318 2.796 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550892868 564634548 /nfs/dbraw/zinc/63/45/48/564634548.db2.gz UFWOVFVETMMZSU-QAPCUYQASA-N 2 2 390.325 2.863 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550892868 564634551 /nfs/dbraw/zinc/63/45/51/564634551.db2.gz UFWOVFVETMMZSU-QAPCUYQASA-N 2 2 390.325 2.863 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000521899177 564638981 /nfs/dbraw/zinc/63/89/81/564638981.db2.gz MMKLXNCHFSKDJD-UHFFFAOYSA-N 2 2 393.329 2.571 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551219935 564642706 /nfs/dbraw/zinc/64/27/06/564642706.db2.gz BBJPEEHZFHKLSB-OKILXGFUSA-N 2 2 388.293 2.880 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(I)c2)C[C@H](C)O1 ZINC000551219935 564642709 /nfs/dbraw/zinc/64/27/09/564642709.db2.gz BBJPEEHZFHKLSB-OKILXGFUSA-N 2 2 388.293 2.880 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781204 564663709 /nfs/dbraw/zinc/66/37/09/564663709.db2.gz QMLZOFVHQCYSMX-MLGOLLRUSA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781204 564663712 /nfs/dbraw/zinc/66/37/12/564663712.db2.gz QMLZOFVHQCYSMX-MLGOLLRUSA-N 2 2 378.460 2.929 20 0 GFADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000574038722 564665513 /nfs/dbraw/zinc/66/55/13/564665513.db2.gz MGFIAPPIHFMVHH-XYPHTWIQSA-N 2 2 380.330 2.700 20 0 GFADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000576941685 564721857 /nfs/dbraw/zinc/72/18/57/564721857.db2.gz OFELFFOEYATYPA-PBHICJAKSA-N 2 2 380.330 2.702 20 0 GFADLP Cn1c[nH+]c(CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)c1 ZINC000459653159 564754527 /nfs/dbraw/zinc/75/45/27/564754527.db2.gz CXGDZHXWAULBDH-UHFFFAOYSA-N 2 2 377.330 2.979 20 0 GFADLP Brc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026921 564760327 /nfs/dbraw/zinc/76/03/27/564760327.db2.gz BIADPELXLRWPAE-IBGZPJMESA-N 2 2 394.357 2.861 20 0 GFADLP Brc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(N2CCOCC2)c1 ZINC000490026921 564760328 /nfs/dbraw/zinc/76/03/28/564760328.db2.gz BIADPELXLRWPAE-IBGZPJMESA-N 2 2 394.357 2.861 20 0 GFADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581883177 564822051 /nfs/dbraw/zinc/82/20/51/564822051.db2.gz OUWKFHKEMOYHME-RHSMWYFYSA-N 2 2 380.330 2.702 20 0 GFADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000462202244 564826821 /nfs/dbraw/zinc/82/68/21/564826821.db2.gz GFCRXFVRBBAVSI-QAPCUYQASA-N 2 2 382.599 2.574 20 0 GFADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(Br)cc3F)CC2)CC1 ZINC000529540794 564840432 /nfs/dbraw/zinc/84/04/32/564840432.db2.gz IQLHWXSAXKKCQI-UHFFFAOYSA-N 2 2 399.352 2.833 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000584008090 564915759 /nfs/dbraw/zinc/91/57/59/564915759.db2.gz BYBAHZHXCOUOMW-LBPRGKRZSA-N 2 2 397.342 2.692 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000584008090 564915766 /nfs/dbraw/zinc/91/57/66/564915766.db2.gz BYBAHZHXCOUOMW-LBPRGKRZSA-N 2 2 397.342 2.692 20 0 GFADLP Brc1ccccc1-c1nnc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)o1 ZINC000584090091 564920116 /nfs/dbraw/zinc/92/01/16/564920116.db2.gz FMYZCBTYGDSWFN-UHFFFAOYSA-N 2 2 389.257 2.544 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000501418963 564978846 /nfs/dbraw/zinc/97/88/46/564978846.db2.gz HQPREULBMUSEDY-CQSZACIVSA-N 2 2 394.357 2.796 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000501418963 564978847 /nfs/dbraw/zinc/97/88/47/564978847.db2.gz HQPREULBMUSEDY-CQSZACIVSA-N 2 2 394.357 2.796 20 0 GFADLP Brc1ccc(C[N@H+](CCOC[C@H]2CCCO2)CCn2cc[nH+]c2)o1 ZINC000561313934 564990849 /nfs/dbraw/zinc/99/08/49/564990849.db2.gz LAZMMPRDJPULNX-MRXNPFEDSA-N 2 2 398.301 2.936 20 0 GFADLP Brc1ccc(C[N@@H+](CCOC[C@H]2CCCO2)CCn2cc[nH+]c2)o1 ZINC000561313934 564990854 /nfs/dbraw/zinc/99/08/54/564990854.db2.gz LAZMMPRDJPULNX-MRXNPFEDSA-N 2 2 398.301 2.936 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508865 565014432 /nfs/dbraw/zinc/01/44/32/565014432.db2.gz XONVGBXVXVWFKR-CABCVRRESA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000535508865 565014434 /nfs/dbraw/zinc/01/44/34/565014434.db2.gz XONVGBXVXVWFKR-CABCVRRESA-N 2 2 384.293 2.505 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790981 565043239 /nfs/dbraw/zinc/04/32/39/565043239.db2.gz CCRGCMBNXJHVIL-DLBZAZTESA-N 2 2 395.345 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790981 565043241 /nfs/dbraw/zinc/04/32/41/565043241.db2.gz CCRGCMBNXJHVIL-DLBZAZTESA-N 2 2 395.345 2.575 20 0 GFADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000537862556 565064121 /nfs/dbraw/zinc/06/41/21/565064121.db2.gz HNYBWSFWHTVDHI-HNNXBMFYSA-N 2 2 398.370 2.692 20 0 GFADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000537862556 565064122 /nfs/dbraw/zinc/06/41/22/565064122.db2.gz HNYBWSFWHTVDHI-HNNXBMFYSA-N 2 2 398.370 2.692 20 0 GFADLP O=C(C1CC[NH2+]CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000584409220 565079377 /nfs/dbraw/zinc/07/93/77/565079377.db2.gz SFJSYLNFLCSQBR-UHFFFAOYSA-N 2 2 391.313 2.674 20 0 GFADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659315123 565213194 /nfs/dbraw/zinc/21/31/94/565213194.db2.gz WQEWADVFLPDSCN-JTQLQIEISA-N 2 2 393.310 2.518 20 0 GFADLP COc1ccc(Br)cc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985796 565219956 /nfs/dbraw/zinc/21/99/56/565219956.db2.gz GLIBYACBICPVPO-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1F ZINC000639919145 565267414 /nfs/dbraw/zinc/26/74/14/565267414.db2.gz BUOIIPIICSRECK-UHFFFAOYSA-N 2 2 398.320 2.763 20 0 GFADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1F ZINC000639919145 565267417 /nfs/dbraw/zinc/26/74/17/565267417.db2.gz BUOIIPIICSRECK-UHFFFAOYSA-N 2 2 398.320 2.763 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662050470 565347766 /nfs/dbraw/zinc/34/77/66/565347766.db2.gz GIPAUFZCNYZAGA-INIZCTEOSA-N 2 2 388.339 2.605 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)s2)cs1 ZINC000619741061 565357309 /nfs/dbraw/zinc/35/73/09/565357309.db2.gz NFAHKIVGMBMASG-NFAWXSAZSA-N 2 2 381.567 2.740 20 0 GFADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291558 565359324 /nfs/dbraw/zinc/35/93/24/565359324.db2.gz IBAALLXRPFBUMO-WBVHZDCISA-N 2 2 380.330 2.687 20 0 GFADLP COC(=O)c1cccc(Br)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593967811 565370997 /nfs/dbraw/zinc/37/09/97/565370997.db2.gz DWMOULRZYZTCIY-GFCCVEGCSA-N 2 2 378.270 2.959 20 0 GFADLP COC(=O)c1cccc(Br)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593967811 565371001 /nfs/dbraw/zinc/37/10/01/565371001.db2.gz DWMOULRZYZTCIY-GFCCVEGCSA-N 2 2 378.270 2.959 20 0 GFADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1Cl ZINC000662667121 565381331 /nfs/dbraw/zinc/38/13/31/565381331.db2.gz YATVACXQCKXBNH-CXAGYDPISA-N 2 2 386.323 2.577 20 0 GFADLP Cc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000641774923 565398692 /nfs/dbraw/zinc/39/86/92/565398692.db2.gz VKFOKEISZDJRAL-WMZOPIPTSA-N 2 2 396.373 2.815 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641862042 565400974 /nfs/dbraw/zinc/40/09/74/565400974.db2.gz IHHBDHIELIJAMH-LIMHQNJXSA-N 2 2 395.345 2.742 20 0 GFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363954 565415345 /nfs/dbraw/zinc/41/53/45/565415345.db2.gz DJEGEPXYZWLXGN-UONOGXRCSA-N 2 2 391.737 2.916 20 0 GFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363954 565415351 /nfs/dbraw/zinc/41/53/51/565415351.db2.gz DJEGEPXYZWLXGN-UONOGXRCSA-N 2 2 391.737 2.916 20 0 GFADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442741 565421527 /nfs/dbraw/zinc/42/15/27/565421527.db2.gz KLDXWALEIRAJDR-AWEZNQCLSA-N 2 2 385.350 2.693 20 0 GFADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442741 565421531 /nfs/dbraw/zinc/42/15/31/565421531.db2.gz KLDXWALEIRAJDR-AWEZNQCLSA-N 2 2 385.350 2.693 20 0 GFADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623894812 565533810 /nfs/dbraw/zinc/53/38/10/565533810.db2.gz BRVWHIXBBYIIOA-AEFFLSMTSA-N 2 2 396.373 2.815 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646996895 565631458 /nfs/dbraw/zinc/63/14/58/565631458.db2.gz CBTOFIULNNHHSZ-BRWVUGGUSA-N 2 2 380.330 2.972 20 0 GFADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000598917957 565648925 /nfs/dbraw/zinc/64/89/25/565648925.db2.gz NPRRHEPCGICZEC-UHFFFAOYSA-N 2 2 377.176 2.635 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000647883344 565680857 /nfs/dbraw/zinc/68/08/57/565680857.db2.gz GOFSQCXPWFRFKA-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000647883344 565680863 /nfs/dbraw/zinc/68/08/63/565680863.db2.gz GOFSQCXPWFRFKA-OALUTQOASA-N 2 2 375.310 2.738 20 0 GFADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000648023772 565688359 /nfs/dbraw/zinc/68/83/59/565688359.db2.gz HHXDIJOTQWEHME-UHFFFAOYSA-N 2 2 393.272 2.987 20 0 GFADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137749 565891822 /nfs/dbraw/zinc/89/18/22/565891822.db2.gz HYKPDMMQNXVRTM-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137749 565891824 /nfs/dbraw/zinc/89/18/24/565891824.db2.gz HYKPDMMQNXVRTM-SJORKVTESA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008070 565910451 /nfs/dbraw/zinc/91/04/51/565910451.db2.gz KHMDOUOLIGYXBA-CYBMUJFWSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008070 565910459 /nfs/dbraw/zinc/91/04/59/565910459.db2.gz KHMDOUOLIGYXBA-CYBMUJFWSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008073 565910909 /nfs/dbraw/zinc/91/09/09/565910909.db2.gz KHMDOUOLIGYXBA-ZDUSSCGKSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc4cc(Cl)ccc4s3)C2)CC1 ZINC000652008073 565910913 /nfs/dbraw/zinc/91/09/13/565910913.db2.gz KHMDOUOLIGYXBA-ZDUSSCGKSA-N 2 2 378.929 2.848 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345437 565922762 /nfs/dbraw/zinc/92/27/62/565922762.db2.gz BWJPNCUELRBTER-CKEIUWERSA-N 2 2 396.329 2.606 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)C1 ZINC000652345437 565922765 /nfs/dbraw/zinc/92/27/65/565922765.db2.gz BWJPNCUELRBTER-CKEIUWERSA-N 2 2 396.329 2.606 20 0 GFADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358247 565924147 /nfs/dbraw/zinc/92/41/47/565924147.db2.gz NSGPHBSQCMIQCU-IPJQOSJUSA-N 2 2 388.339 2.855 20 0 GFADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358247 565924151 /nfs/dbraw/zinc/92/41/51/565924151.db2.gz NSGPHBSQCMIQCU-IPJQOSJUSA-N 2 2 388.339 2.855 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360659 565924259 /nfs/dbraw/zinc/92/42/59/565924259.db2.gz NREDONOLAFENDH-KBRIMQKVSA-N 2 2 396.329 2.748 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360659 565924263 /nfs/dbraw/zinc/92/42/63/565924263.db2.gz NREDONOLAFENDH-KBRIMQKVSA-N 2 2 396.329 2.748 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477241 565939767 /nfs/dbraw/zinc/93/97/67/565939767.db2.gz FYBLGRPTEYNIFP-CVEARBPZSA-N 2 2 380.286 2.722 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477241 565939770 /nfs/dbraw/zinc/93/97/70/565939770.db2.gz FYBLGRPTEYNIFP-CVEARBPZSA-N 2 2 380.286 2.722 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000653160390 565956076 /nfs/dbraw/zinc/95/60/76/565956076.db2.gz HGTQJZOLENUMBC-CQSZACIVSA-N 2 2 377.838 2.786 20 0 GFADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148927 565956168 /nfs/dbraw/zinc/95/61/68/565956168.db2.gz QBAVVIBBRQVTHM-KRWDZBQOSA-N 3 2 389.371 2.553 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906632 565992822 /nfs/dbraw/zinc/99/28/22/565992822.db2.gz MJPTZGVULUZJCS-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1ccc(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906632 565992825 /nfs/dbraw/zinc/99/28/25/565992825.db2.gz MJPTZGVULUZJCS-HNNXBMFYSA-N 2 2 380.330 2.656 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Br)cc1O ZINC000678930941 566025679 /nfs/dbraw/zinc/02/56/79/566025679.db2.gz WGOKVRYMUPTSMC-HNNXBMFYSA-N 2 2 399.329 2.896 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679832516 566054847 /nfs/dbraw/zinc/05/48/47/566054847.db2.gz QYKIQLSZHWTAKI-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000679832516 566054851 /nfs/dbraw/zinc/05/48/51/566054851.db2.gz QYKIQLSZHWTAKI-RTBURBONSA-N 2 2 393.325 2.565 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC000655525843 566063374 /nfs/dbraw/zinc/06/33/74/566063374.db2.gz UKXNDIXKHMKPGC-CQSZACIVSA-N 2 2 393.746 2.574 20 0 GFADLP Brc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCO2 ZINC000655699642 566082444 /nfs/dbraw/zinc/08/24/44/566082444.db2.gz HCAIMFNIMOIDBU-AWEZNQCLSA-N 2 2 383.286 2.521 20 0 GFADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000656258400 566119053 /nfs/dbraw/zinc/11/90/53/566119053.db2.gz RSPIHCXXYVYIHJ-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000656258400 566119057 /nfs/dbraw/zinc/11/90/57/566119057.db2.gz RSPIHCXXYVYIHJ-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000656258400 566119061 /nfs/dbraw/zinc/11/90/61/566119061.db2.gz RSPIHCXXYVYIHJ-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000656258400 566119063 /nfs/dbraw/zinc/11/90/63/566119063.db2.gz RSPIHCXXYVYIHJ-IYBDPMFKSA-N 2 2 375.314 2.937 20 0 GFADLP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000612441506 566162426 /nfs/dbraw/zinc/16/24/26/566162426.db2.gz KPMBWDPHMDOCPM-UHFFFAOYSA-N 2 2 380.330 2.624 20 0 GFADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000735986055 598561605 /nfs/dbraw/zinc/56/16/05/598561605.db2.gz KNKCAJLQZZQEFW-MRXNPFEDSA-N 2 2 380.496 2.876 20 0 GFADLP CC[NH+](CC)CCO[C@@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C1 ZINC000821189933 606140723 /nfs/dbraw/zinc/14/07/23/606140723.db2.gz VZWKSWODQHJRCW-MRXNPFEDSA-N 2 2 395.511 2.660 20 0 GFADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821114476 606721055 /nfs/dbraw/zinc/72/10/55/606721055.db2.gz TVRVFFJQJPPHPK-UHFFFAOYSA-N 2 2 391.523 2.689 20 0 GFADLP CS[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@H]1[NH+](C)C ZINC000826227430 608382787 /nfs/dbraw/zinc/38/27/87/608382787.db2.gz QYTSZUFMVBVWJX-HZPDHXFCSA-N 2 2 383.525 2.514 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824655887 609251671 /nfs/dbraw/zinc/25/16/71/609251671.db2.gz GRDRTCIGWJWUPJ-KDOFPFPSSA-N 2 2 378.484 2.575 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656563 660204700 /nfs/dbraw/zinc/20/47/00/660204700.db2.gz KQEVLNJDLYHYFZ-KRWDZBQOSA-N 2 2 376.372 2.979 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656563 660204703 /nfs/dbraw/zinc/20/47/03/660204703.db2.gz KQEVLNJDLYHYFZ-KRWDZBQOSA-N 2 2 376.372 2.979 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccc(Cl)s3)CC2)CC1 ZINC000051759916 654728576 /nfs/dbraw/zinc/72/85/76/654728576.db2.gz NRSQRCRZVSAPKF-UHFFFAOYSA-N 2 2 384.977 2.802 20 0 GFADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cc(Br)cs1 ZINC000052847969 654740773 /nfs/dbraw/zinc/74/07/73/654740773.db2.gz CQKSGMFSRQNYNZ-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cc(Br)cs1 ZINC000052847969 654740777 /nfs/dbraw/zinc/74/07/77/654740777.db2.gz CQKSGMFSRQNYNZ-UHFFFAOYSA-N 2 2 386.359 2.685 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934959 654991894 /nfs/dbraw/zinc/99/18/94/654991894.db2.gz RLEAWCQVQNZYLJ-HOTGVXAUSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000268934959 654991897 /nfs/dbraw/zinc/99/18/97/654991897.db2.gz RLEAWCQVQNZYLJ-HOTGVXAUSA-N 2 2 384.293 2.505 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372074 655120386 /nfs/dbraw/zinc/12/03/86/655120386.db2.gz XXCZEHPQBQESJN-KRWDZBQOSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372074 655120389 /nfs/dbraw/zinc/12/03/89/655120389.db2.gz XXCZEHPQBQESJN-KRWDZBQOSA-N 2 2 382.346 2.670 20 0 GFADLP Cn1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1Cl ZINC000841099063 661232238 /nfs/dbraw/zinc/23/22/38/661232238.db2.gz CPESBKWEAPYOEN-QWHCGFSZSA-N 2 2 380.842 2.811 20 0 GFADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3occc3Br)CC2)CC1 ZINC000769337941 656271074 /nfs/dbraw/zinc/27/10/74/656271074.db2.gz MUAHKZNPLXUNPR-UHFFFAOYSA-N 2 2 398.345 2.808 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410627 656527115 /nfs/dbraw/zinc/52/71/15/656527115.db2.gz BZDCEASFZWVUKL-DZGCQCFKSA-N 2 2 387.355 2.633 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000774410644 656527157 /nfs/dbraw/zinc/52/71/57/656527157.db2.gz BZDCEASFZWVUKL-ZFWWWQNUSA-N 2 2 387.355 2.633 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092438 661367499 /nfs/dbraw/zinc/36/74/99/661367499.db2.gz CZMNFSNKUAYHOX-QFBILLFUSA-N 2 2 393.325 2.565 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843092438 661367502 /nfs/dbraw/zinc/36/75/02/661367502.db2.gz CZMNFSNKUAYHOX-QFBILLFUSA-N 2 2 393.325 2.565 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892049 662867818 /nfs/dbraw/zinc/86/78/18/662867818.db2.gz GFHQAVLRJMUDBR-PUPMMZHASA-N 2 2 375.822 2.571 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876892049 662867819 /nfs/dbraw/zinc/86/78/19/662867819.db2.gz GFHQAVLRJMUDBR-PUPMMZHASA-N 2 2 375.822 2.571 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000926138146 664682790 /nfs/dbraw/zinc/68/27/90/664682790.db2.gz KGQAOVQLOWZDKV-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP Cc1cc(Br)c(Cl)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926172222 664683803 /nfs/dbraw/zinc/68/38/03/664683803.db2.gz CDBJXFBCCUAZOF-UHFFFAOYSA-N 2 2 389.725 2.956 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000930447459 664770591 /nfs/dbraw/zinc/77/05/91/664770591.db2.gz YOJGITSLTHOPEU-KBMXLJTQSA-N 2 2 396.285 2.545 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@@H]3COC[C@@H]3O2)o1 ZINC000930447459 664770592 /nfs/dbraw/zinc/77/05/92/664770592.db2.gz YOJGITSLTHOPEU-KBMXLJTQSA-N 2 2 396.285 2.545 20 0 GFADLP Cc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc(C(C)(C)C)[nH+]1 ZINC001164813466 720239695 /nfs/dbraw/zinc/23/96/95/720239695.db2.gz ONMZJOZJFFBZEH-UHFFFAOYSA-N 2 2 398.555 2.890 20 0 GFADLP Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc(C(C)(C)C)[nH+]1 ZINC001164813466 720239704 /nfs/dbraw/zinc/23/97/04/720239704.db2.gz ONMZJOZJFFBZEH-UHFFFAOYSA-N 2 2 398.555 2.890 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839202 720505427 /nfs/dbraw/zinc/50/54/27/720505427.db2.gz SZBZEVVOEFCGBB-FGTMMUONSA-N 2 2 379.512 2.841 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839202 720505433 /nfs/dbraw/zinc/50/54/33/720505433.db2.gz SZBZEVVOEFCGBB-FGTMMUONSA-N 2 2 379.512 2.841 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164835915 720587041 /nfs/dbraw/zinc/58/70/41/720587041.db2.gz CRXRNEJDMVQLER-HSALFYBXSA-N 2 2 396.539 2.923 20 0 GFADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164835915 720587054 /nfs/dbraw/zinc/58/70/54/720587054.db2.gz CRXRNEJDMVQLER-HSALFYBXSA-N 2 2 396.539 2.923 20 0 GFADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5c([nH+]4)CCCC5)C3)O2)CC1 ZINC001164889476 721403992 /nfs/dbraw/zinc/40/39/92/721403992.db2.gz QXMYSWQOGZGXQD-NFBKMPQASA-N 2 2 384.568 2.726 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccccc3Br)CC2)CC1 ZINC000104345984 551198609 /nfs/dbraw/zinc/19/86/09/551198609.db2.gz IBWNMDLLURYENE-UHFFFAOYSA-N 2 2 394.357 2.666 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123368832 551306296 /nfs/dbraw/zinc/30/62/96/551306296.db2.gz FXLIVXJXGYXPJA-GXTWGEPZSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123368832 551306297 /nfs/dbraw/zinc/30/62/97/551306297.db2.gz FXLIVXJXGYXPJA-GXTWGEPZSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123368832 551306298 /nfs/dbraw/zinc/30/62/98/551306298.db2.gz FXLIVXJXGYXPJA-GXTWGEPZSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123368832 551306299 /nfs/dbraw/zinc/30/62/99/551306299.db2.gz FXLIVXJXGYXPJA-GXTWGEPZSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000152687521 551438191 /nfs/dbraw/zinc/43/81/91/551438191.db2.gz RLDKLVJORZZCKV-XJKSGUPXSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000152687521 551438194 /nfs/dbraw/zinc/43/81/94/551438194.db2.gz RLDKLVJORZZCKV-XJKSGUPXSA-N 2 2 380.330 2.784 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000154696527 551481080 /nfs/dbraw/zinc/48/10/80/551481080.db2.gz KDCOIHBYHIHCIF-LJQANCHMSA-N 2 2 386.367 2.960 20 0 GFADLP COc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1Br ZINC000175456694 552122098 /nfs/dbraw/zinc/12/20/98/552122098.db2.gz LAZODTYOJSBHHD-UHFFFAOYSA-N 2 2 399.333 2.605 20 0 GFADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000175536582 552123975 /nfs/dbraw/zinc/12/39/75/552123975.db2.gz CTRNFTZAZZSXKU-AWEZNQCLSA-N 2 2 397.361 2.835 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000180943925 552241529 /nfs/dbraw/zinc/24/15/29/552241529.db2.gz UYGMVLRTCQCDRT-UHFFFAOYSA-N 2 2 398.345 2.636 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(cc1Br)OCO2 ZINC000180943925 552241534 /nfs/dbraw/zinc/24/15/34/552241534.db2.gz UYGMVLRTCQCDRT-UHFFFAOYSA-N 2 2 398.345 2.636 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000190446220 552496630 /nfs/dbraw/zinc/49/66/30/552496630.db2.gz HQZHGNBJRZYHOX-KGLIPLIRSA-N 2 2 398.345 2.661 20 0 GFADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418462013 563217742 /nfs/dbraw/zinc/21/77/42/563217742.db2.gz LDTUOELWMGLYJC-QGZVFWFLSA-N 2 2 385.339 2.600 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418495314 563218460 /nfs/dbraw/zinc/21/84/60/563218460.db2.gz UEDGWTVZDUCWMM-RHSMWYFYSA-N 2 2 397.361 2.822 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170206 563232715 /nfs/dbraw/zinc/23/27/15/563232715.db2.gz LJUJVTPIMXDCGQ-HUUCEWRRSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000295170206 563232719 /nfs/dbraw/zinc/23/27/19/563232719.db2.gz LJUJVTPIMXDCGQ-HUUCEWRRSA-N 2 2 384.293 2.505 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295177843 563233035 /nfs/dbraw/zinc/23/30/35/563233035.db2.gz VFXPSAXEOLRKII-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295177843 563233037 /nfs/dbraw/zinc/23/30/37/563233037.db2.gz VFXPSAXEOLRKII-YOEHRIQHSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115560 563234045 /nfs/dbraw/zinc/23/40/45/563234045.db2.gz XZYUZOKYJLQTFW-YJBOKZPZSA-N 2 2 382.346 2.506 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725747 563248243 /nfs/dbraw/zinc/24/82/43/563248243.db2.gz JBTSBPYXMSVYET-CQSZACIVSA-N 2 2 376.810 2.982 20 0 GFADLP CN(C(=O)c1ccccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821141 563256561 /nfs/dbraw/zinc/25/65/61/563256561.db2.gz SRRQQKXXICPWAH-OAHLLOKOSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1ccccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821141 563256566 /nfs/dbraw/zinc/25/65/66/563256566.db2.gz SRRQQKXXICPWAH-OAHLLOKOSA-N 2 2 380.330 2.690 20 0 GFADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486488 563257857 /nfs/dbraw/zinc/25/78/57/563257857.db2.gz PDCPVTZCLYKCIZ-HLLBOEOZSA-N 2 2 378.314 2.771 20 0 GFADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486488 563257859 /nfs/dbraw/zinc/25/78/59/563257859.db2.gz PDCPVTZCLYKCIZ-HLLBOEOZSA-N 2 2 378.314 2.771 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300587 563271692 /nfs/dbraw/zinc/27/16/92/563271692.db2.gz QCWKYXNIWIRBFJ-BMFZPTHFSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1Br)OCO2 ZINC000371300587 563271694 /nfs/dbraw/zinc/27/16/94/563271694.db2.gz QCWKYXNIWIRBFJ-BMFZPTHFSA-N 2 2 397.313 2.861 20 0 GFADLP Cc1csc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000372846962 563319348 /nfs/dbraw/zinc/31/93/48/563319348.db2.gz PIAPNTZMIVEDEQ-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1csc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000372846962 563319351 /nfs/dbraw/zinc/31/93/51/563319351.db2.gz PIAPNTZMIVEDEQ-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280185186 563326373 /nfs/dbraw/zinc/32/63/73/563326373.db2.gz COZIJWVCBFRTEX-KRWDZBQOSA-N 2 2 385.961 2.916 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422895752 563349706 /nfs/dbraw/zinc/34/97/06/563349706.db2.gz GMSUMHWZDHJILP-HLLBOEOZSA-N 2 2 382.346 2.632 20 0 GFADLP Brc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422950715 563351523 /nfs/dbraw/zinc/35/15/23/563351523.db2.gz WONTVTWSVDUQHQ-MDASCCDHSA-N 2 2 394.357 2.632 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1I ZINC000423091432 563354918 /nfs/dbraw/zinc/35/49/18/563354918.db2.gz XCBFILSLRKSACV-ZWNOBZJWSA-N 2 2 394.684 2.801 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000423092579 563354936 /nfs/dbraw/zinc/35/49/36/563354936.db2.gz CKVPAGCQYYOHQM-NEPJUHHUSA-N 2 2 380.657 2.923 20 0 GFADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280856255 563358268 /nfs/dbraw/zinc/35/82/68/563358268.db2.gz LQTMJJPZJHLNTJ-LBPRGKRZSA-N 2 2 396.251 2.683 20 0 GFADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000280856255 563358269 /nfs/dbraw/zinc/35/82/69/563358269.db2.gz LQTMJJPZJHLNTJ-LBPRGKRZSA-N 2 2 396.251 2.683 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188853 563358878 /nfs/dbraw/zinc/35/88/78/563358878.db2.gz QQVJGXMGFNHKDK-BEFAXECRSA-N 2 2 396.373 2.770 20 0 GFADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000299527173 563385879 /nfs/dbraw/zinc/38/58/79/563385879.db2.gz FSMLQRHPWNYFPC-UHFFFAOYSA-N 2 2 377.286 2.620 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(CN3CCN(C4=[NH+]C[C@@H](C)S4)CC3)sc2C1 ZINC000374957685 563386683 /nfs/dbraw/zinc/38/66/83/563386683.db2.gz XMRHPNGNDUGSGA-CQSZACIVSA-N 2 2 379.599 2.519 20 0 GFADLP CC(C)[N@H+]1CCc2nc(CN3CCN(C4=[NH+]C[C@@H](C)S4)CC3)sc2C1 ZINC000374957685 563386685 /nfs/dbraw/zinc/38/66/85/563386685.db2.gz XMRHPNGNDUGSGA-CQSZACIVSA-N 2 2 379.599 2.519 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1csc2ccccc21 ZINC000285337041 563515236 /nfs/dbraw/zinc/51/52/36/563515236.db2.gz YAZJPSSSVIMWCR-UHFFFAOYSA-N 2 2 381.567 2.548 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1csc2ccccc21 ZINC000285337041 563515241 /nfs/dbraw/zinc/51/52/41/563515241.db2.gz YAZJPSSSVIMWCR-UHFFFAOYSA-N 2 2 381.567 2.548 20 0 GFADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550486 563545029 /nfs/dbraw/zinc/54/50/29/563545029.db2.gz GLMDDCCZDCZRSB-OCCSQVGLSA-N 2 2 379.302 2.982 20 0 GFADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550486 563545031 /nfs/dbraw/zinc/54/50/31/563545031.db2.gz GLMDDCCZDCZRSB-OCCSQVGLSA-N 2 2 379.302 2.982 20 0 GFADLP CN(C)c1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)[nH+]cc1Br ZINC000332152802 563579679 /nfs/dbraw/zinc/57/96/79/563579679.db2.gz IZXUJCZBUGELTI-DMDPSCGWSA-N 2 2 382.306 2.501 20 0 GFADLP Cc1nn(C)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1Br ZINC000288718035 563654657 /nfs/dbraw/zinc/65/46/57/563654657.db2.gz ZTVWTVUYQZUPPC-UHFFFAOYSA-N 2 2 396.333 2.506 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289634837 563681455 /nfs/dbraw/zinc/68/14/55/563681455.db2.gz GPDLJLZOVGTUFU-CQSZACIVSA-N 2 2 391.151 2.547 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000289634837 563681456 /nfs/dbraw/zinc/68/14/56/563681456.db2.gz GPDLJLZOVGTUFU-CQSZACIVSA-N 2 2 391.151 2.547 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2nccc3cc(Br)ccc32)CC1 ZINC000413174505 563684484 /nfs/dbraw/zinc/68/44/84/563684484.db2.gz QDDIAMYZWPNWTG-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GFADLP Clc1cnn([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069352 563696717 /nfs/dbraw/zinc/69/67/17/563696717.db2.gz YEYFAPRVEJKBNE-IRXDYDNUSA-N 2 2 383.327 2.970 20 0 GFADLP Clc1cnn([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)C2)c1 ZINC000290069352 563696719 /nfs/dbraw/zinc/69/67/19/563696719.db2.gz YEYFAPRVEJKBNE-IRXDYDNUSA-N 2 2 383.327 2.970 20 0 GFADLP O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000439420495 563723813 /nfs/dbraw/zinc/72/38/13/563723813.db2.gz JHQOCWHTOXCZKT-HNNXBMFYSA-N 2 2 398.276 2.931 20 0 GFADLP Clc1cccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000364457199 563753475 /nfs/dbraw/zinc/75/34/75/563753475.db2.gz JVBZJZVMNRSYCF-UHFFFAOYSA-N 2 2 386.367 2.922 20 0 GFADLP Clc1cccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1Cl ZINC000364457199 563753478 /nfs/dbraw/zinc/75/34/78/563753478.db2.gz JVBZJZVMNRSYCF-UHFFFAOYSA-N 2 2 386.367 2.922 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146152 563761003 /nfs/dbraw/zinc/76/10/03/563761003.db2.gz YJICJYWXUODLLN-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146152 563761006 /nfs/dbraw/zinc/76/10/06/563761006.db2.gz YJICJYWXUODLLN-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP Cc1c(Br)cccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365585704 563787527 /nfs/dbraw/zinc/78/75/27/563787527.db2.gz RAPLQQBAULMXHD-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1c(Br)cccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365585704 563787528 /nfs/dbraw/zinc/78/75/28/563787528.db2.gz RAPLQQBAULMXHD-CQSZACIVSA-N 2 2 380.330 2.656 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(N2CCOCC2)c1 ZINC000368089187 563863169 /nfs/dbraw/zinc/86/31/69/563863169.db2.gz KCQXUYNHBVKSDG-OAHLLOKOSA-N 2 2 391.313 2.656 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(N2CCOCC2)c1 ZINC000368089187 563863173 /nfs/dbraw/zinc/86/31/73/563863173.db2.gz KCQXUYNHBVKSDG-OAHLLOKOSA-N 2 2 391.313 2.656 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)[nH+]c12 ZINC000417995339 563894379 /nfs/dbraw/zinc/89/43/79/563894379.db2.gz ASKHSPHKXNKVCO-CYBMUJFWSA-N 2 2 394.317 2.676 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449681214 564195580 /nfs/dbraw/zinc/19/55/80/564195580.db2.gz IMNHLRIRKFBWOL-ZUEVXXBESA-N 2 2 381.358 2.981 20 0 GFADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449681214 564195583 /nfs/dbraw/zinc/19/55/83/564195583.db2.gz IMNHLRIRKFBWOL-ZUEVXXBESA-N 2 2 381.358 2.981 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@@H](C)O1 ZINC000564855317 564252542 /nfs/dbraw/zinc/25/25/42/564252542.db2.gz QOEORSOUVJHQRL-BZUAXINKSA-N 2 2 397.357 2.540 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474936856 564294441 /nfs/dbraw/zinc/29/44/41/564294441.db2.gz YHSRHJAUVOAWNJ-CQSZACIVSA-N 2 2 390.309 2.516 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)cccc1Br ZINC000474604770 564282226 /nfs/dbraw/zinc/28/22/26/564282226.db2.gz YRMCIFHGKAOGJP-INIZCTEOSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)cccc1Br ZINC000474604770 564282232 /nfs/dbraw/zinc/28/22/32/564282232.db2.gz YRMCIFHGKAOGJP-INIZCTEOSA-N 2 2 386.309 2.621 20 0 GFADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000474936856 564294440 /nfs/dbraw/zinc/29/44/40/564294440.db2.gz YHSRHJAUVOAWNJ-CQSZACIVSA-N 2 2 390.309 2.516 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC000566673966 564337989 /nfs/dbraw/zinc/33/79/89/564337989.db2.gz JTEVDXYEKJYHNH-XHBSWPGZSA-N 2 2 391.737 2.662 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656936 564342020 /nfs/dbraw/zinc/34/20/20/564342020.db2.gz NQIIJHBIAWKJFF-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000510656936 564342023 /nfs/dbraw/zinc/34/20/23/564342023.db2.gz NQIIJHBIAWKJFF-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000510922691 564351168 /nfs/dbraw/zinc/35/11/68/564351168.db2.gz URDJRXJIRALLJP-UHFFFAOYSA-N 2 2 392.257 2.740 20 0 GFADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000510922691 564351171 /nfs/dbraw/zinc/35/11/71/564351171.db2.gz URDJRXJIRALLJP-UHFFFAOYSA-N 2 2 392.257 2.740 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567059178 564355612 /nfs/dbraw/zinc/35/56/12/564355612.db2.gz QOTAEUDREYQCBH-HNNXBMFYSA-N 2 2 391.339 2.558 20 0 GFADLP C[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@H]1CCCC[NH2+]1 ZINC000567641204 564381538 /nfs/dbraw/zinc/38/15/38/564381538.db2.gz MYMQAWUCGLZKNJ-NVXWUHKLSA-N 2 2 385.599 2.585 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CSCCN2Cc2ccccc2)s1 ZINC000511775018 564381892 /nfs/dbraw/zinc/38/18/92/564381892.db2.gz FQNSYUFRPDKLGX-KRWDZBQOSA-N 2 2 376.595 2.912 20 0 GFADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332544 564415017 /nfs/dbraw/zinc/41/50/17/564415017.db2.gz CWIPAMBEPRUHQW-CQSZACIVSA-N 2 2 378.318 2.851 20 0 GFADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568332544 564415019 /nfs/dbraw/zinc/41/50/19/564415019.db2.gz CWIPAMBEPRUHQW-CQSZACIVSA-N 2 2 378.318 2.851 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(I)cc1 ZINC000453260782 564451232 /nfs/dbraw/zinc/45/12/32/564451232.db2.gz RLYUCAWMENDQFX-CZUORRHYSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(I)cc1 ZINC000453260782 564451233 /nfs/dbraw/zinc/45/12/33/564451233.db2.gz RLYUCAWMENDQFX-CZUORRHYSA-N 2 2 388.293 2.789 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514670420 564453969 /nfs/dbraw/zinc/45/39/69/564453969.db2.gz CVUVQYNIXYMCHE-BZNIZROVSA-N 2 2 382.892 2.817 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514670420 564453971 /nfs/dbraw/zinc/45/39/71/564453971.db2.gz CVUVQYNIXYMCHE-BZNIZROVSA-N 2 2 382.892 2.817 20 0 GFADLP Cc1nc(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000546809951 564469930 /nfs/dbraw/zinc/46/99/30/564469930.db2.gz HBVKZLCTYNJCCT-UHFFFAOYSA-N 2 2 377.286 2.749 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348678 564475736 /nfs/dbraw/zinc/47/57/36/564475736.db2.gz IWRWGRCUQARBJC-CABCVRRESA-N 2 2 385.599 2.741 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000515348678 564475743 /nfs/dbraw/zinc/47/57/43/564475743.db2.gz IWRWGRCUQARBJC-CABCVRRESA-N 2 2 385.599 2.741 20 0 GFADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1I ZINC000515864868 564488755 /nfs/dbraw/zinc/48/87/55/564488755.db2.gz PJVDMNVXXBWCLO-CJNGLKHVSA-N 2 2 388.293 2.741 20 0 GFADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccccc1I ZINC000515864868 564488759 /nfs/dbraw/zinc/48/87/59/564488759.db2.gz PJVDMNVXXBWCLO-CJNGLKHVSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000515864868 564488762 /nfs/dbraw/zinc/48/87/62/564488762.db2.gz PJVDMNVXXBWCLO-CJNGLKHVSA-N 2 2 388.293 2.741 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000515864868 564488765 /nfs/dbraw/zinc/48/87/65/564488765.db2.gz PJVDMNVXXBWCLO-CJNGLKHVSA-N 2 2 388.293 2.741 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031624 564532254 /nfs/dbraw/zinc/53/22/54/564532254.db2.gz IQWSWIRKCBZYBS-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482031624 564532258 /nfs/dbraw/zinc/53/22/58/564532258.db2.gz IQWSWIRKCBZYBS-ROUUACIJSA-N 2 2 394.357 2.969 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629073 564547475 /nfs/dbraw/zinc/54/74/75/564547475.db2.gz MHGYLIBMQJXZSN-UHOFOFEASA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cccc(Br)c21 ZINC000482629073 564547480 /nfs/dbraw/zinc/54/74/80/564547480.db2.gz MHGYLIBMQJXZSN-UHOFOFEASA-N 2 2 380.330 2.927 20 0 GFADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@@H+]1C ZINC000455860578 564575955 /nfs/dbraw/zinc/57/59/55/564575955.db2.gz FHWMOHKZFJTOJH-NEPJUHHUSA-N 2 2 384.322 2.857 20 0 GFADLP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@H+]1C ZINC000455860578 564575957 /nfs/dbraw/zinc/57/59/57/564575957.db2.gz FHWMOHKZFJTOJH-NEPJUHHUSA-N 2 2 384.322 2.857 20 0 GFADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455870441 564577582 /nfs/dbraw/zinc/57/75/82/564577582.db2.gz SLJRUYYIEVOUMT-LBPRGKRZSA-N 2 2 384.322 2.764 20 0 GFADLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455870441 564577584 /nfs/dbraw/zinc/57/75/84/564577584.db2.gz SLJRUYYIEVOUMT-LBPRGKRZSA-N 2 2 384.322 2.764 20 0 GFADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1cc(F)cc(Br)c1 ZINC000519535982 564579964 /nfs/dbraw/zinc/57/99/64/564579964.db2.gz BNAADOXAVKYBBE-HNNXBMFYSA-N 2 2 398.276 2.651 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)CC3CC[NH+](C)CC3)[nH+]c12 ZINC000487161206 564678268 /nfs/dbraw/zinc/67/82/68/564678268.db2.gz YUBOBALWRVZZOX-UHFFFAOYSA-N 2 2 379.302 2.753 20 0 GFADLP Fc1cc(Br)cc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000527075273 564728904 /nfs/dbraw/zinc/72/89/04/564728904.db2.gz AUXSXGSUUBRDOW-UHFFFAOYSA-N 2 2 383.265 2.508 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000489314243 564734929 /nfs/dbraw/zinc/73/49/29/564734929.db2.gz AWKAYWYAUNHORW-HIFRSBDPSA-N 2 2 394.317 2.769 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cccc(O)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459341910 564741229 /nfs/dbraw/zinc/74/12/29/564741229.db2.gz OUOCYEBCTWHNGN-ZBFHGGJFSA-N 2 2 382.346 2.613 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459341910 564741231 /nfs/dbraw/zinc/74/12/31/564741231.db2.gz OUOCYEBCTWHNGN-ZBFHGGJFSA-N 2 2 382.346 2.613 20 0 GFADLP FC(F)(F)c1cnc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000578348165 564743462 /nfs/dbraw/zinc/74/34/62/564743462.db2.gz QTKMGYNUZRMFBC-UONOGXRCSA-N 2 2 378.826 2.522 20 0 GFADLP O=S(=O)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000530711889 564891927 /nfs/dbraw/zinc/89/19/27/564891927.db2.gz HXUNUGCOOHXIJM-UHFFFAOYSA-N 2 2 398.326 2.826 20 0 GFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988244 564951936 /nfs/dbraw/zinc/95/19/36/564951936.db2.gz IIUKMTKHUGRCAM-XJKSGUPXSA-N 2 2 393.329 2.762 20 0 GFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988244 564951939 /nfs/dbraw/zinc/95/19/39/564951939.db2.gz IIUKMTKHUGRCAM-XJKSGUPXSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988244 564951942 /nfs/dbraw/zinc/95/19/42/564951942.db2.gz IIUKMTKHUGRCAM-XJKSGUPXSA-N 2 2 393.329 2.762 20 0 GFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C[C@@H]1C ZINC000532988244 564951946 /nfs/dbraw/zinc/95/19/46/564951946.db2.gz IIUKMTKHUGRCAM-XJKSGUPXSA-N 2 2 393.329 2.762 20 0 GFADLP C[C@H](c1ccccc1Br)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501050062 564968822 /nfs/dbraw/zinc/96/88/22/564968822.db2.gz DBUKNUYSIXGPPX-OAHLLOKOSA-N 2 2 383.330 2.669 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731284 564971309 /nfs/dbraw/zinc/97/13/09/564971309.db2.gz AWMPPRJRBFLSNT-VXGBXAGGSA-N 2 2 378.464 2.755 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000467731284 564971310 /nfs/dbraw/zinc/97/13/10/564971310.db2.gz AWMPPRJRBFLSNT-VXGBXAGGSA-N 2 2 378.464 2.755 20 0 GFADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1Br ZINC000536754130 565046570 /nfs/dbraw/zinc/04/65/70/565046570.db2.gz KAXHHEZRBOWYDT-HNNXBMFYSA-N 2 2 382.346 2.996 20 0 GFADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1Br ZINC000536754130 565046573 /nfs/dbraw/zinc/04/65/73/565046573.db2.gz KAXHHEZRBOWYDT-HNNXBMFYSA-N 2 2 382.346 2.996 20 0 GFADLP C[N@@H+]1CC[C@@H](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000635916470 565081622 /nfs/dbraw/zinc/08/16/22/565081622.db2.gz LHJKDFUFYZSMTK-AWEZNQCLSA-N 2 2 395.301 2.609 20 0 GFADLP C[N@H+]1CC[C@@H](CC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000635916470 565081628 /nfs/dbraw/zinc/08/16/28/565081628.db2.gz LHJKDFUFYZSMTK-AWEZNQCLSA-N 2 2 395.301 2.609 20 0 GFADLP CC1(C)C[NH+](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000584790344 565098881 /nfs/dbraw/zinc/09/88/81/565098881.db2.gz NXPPMVNDJIIOQF-UHFFFAOYSA-N 2 2 394.357 2.872 20 0 GFADLP C[NH2+][C@H](C(=O)N1CC[NH+](C(C)(C)COC)CC1)c1cccc(Cl)c1Cl ZINC000659325742 565213102 /nfs/dbraw/zinc/21/31/02/565213102.db2.gz RZAGQOVAWMVEEQ-INIZCTEOSA-N 2 2 388.339 2.823 20 0 GFADLP COc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)sc1Br ZINC000638984547 565219903 /nfs/dbraw/zinc/21/99/03/565219903.db2.gz MFZSFHKHACLWJA-UHFFFAOYSA-N 2 2 397.298 2.576 20 0 GFADLP COc1nsc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000639121224 565227718 /nfs/dbraw/zinc/22/77/18/565227718.db2.gz NWJCVKAZIVUFDE-NSHDSACASA-N 2 2 378.336 2.505 20 0 GFADLP COc1nsc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1Br ZINC000639121224 565227721 /nfs/dbraw/zinc/22/77/21/565227721.db2.gz NWJCVKAZIVUFDE-NSHDSACASA-N 2 2 378.336 2.505 20 0 GFADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581200 565233962 /nfs/dbraw/zinc/23/39/62/565233962.db2.gz MYEKQUKRXYKGRY-WHOFXGATSA-N 2 2 376.257 2.902 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc2ccccc2cc1Br ZINC000617764463 565258258 /nfs/dbraw/zinc/25/82/58/565258258.db2.gz YRHBDEJEFRANGC-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc2ccccc2cc1Br ZINC000617764463 565258264 /nfs/dbraw/zinc/25/82/64/565258264.db2.gz YRHBDEJEFRANGC-UHFFFAOYSA-N 2 2 393.329 2.611 20 0 GFADLP [NH3+][C@@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)c1ccccc1Br ZINC000662623741 565380030 /nfs/dbraw/zinc/38/00/30/565380030.db2.gz ODXPLXNIPSEODY-MRXNPFEDSA-N 2 2 389.297 2.761 20 0 GFADLP Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)[nH+]c1 ZINC000662735639 565383582 /nfs/dbraw/zinc/38/35/82/565383582.db2.gz OESSNQFDQSFKHI-INIZCTEOSA-N 2 2 377.286 2.771 20 0 GFADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000641774922 565398790 /nfs/dbraw/zinc/39/87/90/565398790.db2.gz VKFOKEISZDJRAL-SJLPKXTDSA-N 2 2 396.373 2.815 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(Br)ccc21 ZINC000643500597 565434101 /nfs/dbraw/zinc/43/41/01/565434101.db2.gz IJXKNMNYVIAYCJ-YOOVYSLHSA-N 2 2 385.327 2.540 20 0 GFADLP COc1c[nH+]ccc1N1CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663865853 565441050 /nfs/dbraw/zinc/44/10/50/565441050.db2.gz IDHORHCHRXCQQV-UHFFFAOYSA-N 2 2 378.274 2.586 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780454 565441421 /nfs/dbraw/zinc/44/14/21/565441421.db2.gz RPGJXUINXWPENZ-QIIPPGSGSA-N 2 2 380.330 2.609 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780454 565441424 /nfs/dbraw/zinc/44/14/24/565441424.db2.gz RPGJXUINXWPENZ-QIIPPGSGSA-N 2 2 380.330 2.609 20 0 GFADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548110 565481947 /nfs/dbraw/zinc/48/19/47/565481947.db2.gz PBOCOLFXTBAPPS-QWHCGFSZSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548110 565481949 /nfs/dbraw/zinc/48/19/49/565481949.db2.gz PBOCOLFXTBAPPS-QWHCGFSZSA-N 2 2 377.710 2.526 20 0 GFADLP COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000595895250 565496227 /nfs/dbraw/zinc/49/62/27/565496227.db2.gz GOSDRJITDQDNFD-WMLDXEAASA-N 2 2 381.314 2.985 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104018 565585941 /nfs/dbraw/zinc/58/59/41/565585941.db2.gz WFGNDQNQSMRDSY-AWEZNQCLSA-N 2 2 396.329 2.573 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104018 565585946 /nfs/dbraw/zinc/58/59/46/565585946.db2.gz WFGNDQNQSMRDSY-AWEZNQCLSA-N 2 2 396.329 2.573 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104019 565586699 /nfs/dbraw/zinc/58/66/99/565586699.db2.gz WFGNDQNQSMRDSY-CQSZACIVSA-N 2 2 396.329 2.573 20 0 GFADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104019 565586703 /nfs/dbraw/zinc/58/67/03/565586703.db2.gz WFGNDQNQSMRDSY-CQSZACIVSA-N 2 2 396.329 2.573 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000667683611 565601444 /nfs/dbraw/zinc/60/14/44/565601444.db2.gz WINSWNKPFLZKBD-RDTXWAMCSA-N 2 2 381.362 2.610 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000667683611 565601445 /nfs/dbraw/zinc/60/14/45/565601445.db2.gz WINSWNKPFLZKBD-RDTXWAMCSA-N 2 2 381.362 2.610 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606875 /nfs/dbraw/zinc/60/68/75/565606875.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 2 380.330 2.976 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606878 /nfs/dbraw/zinc/60/68/78/565606878.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606883 /nfs/dbraw/zinc/60/68/83/565606883.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606889 /nfs/dbraw/zinc/60/68/89/565606889.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 2 380.330 2.976 20 0 GFADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646652609 565612566 /nfs/dbraw/zinc/61/25/66/565612566.db2.gz UBTPKNHNWZUSSB-SJORKVTESA-N 2 2 380.330 2.844 20 0 GFADLP CN(Cc1c(F)cncc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161769 565629137 /nfs/dbraw/zinc/62/91/37/565629137.db2.gz DHVKKSAXLPLKQX-AWEZNQCLSA-N 2 2 385.325 2.584 20 0 GFADLP CN(Cc1c(F)cncc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161769 565629144 /nfs/dbraw/zinc/62/91/44/565629144.db2.gz DHVKKSAXLPLKQX-AWEZNQCLSA-N 2 2 385.325 2.584 20 0 GFADLP CC[C@H]1C[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497374 565661803 /nfs/dbraw/zinc/66/18/03/565661803.db2.gz FETHAAYKHYUAKC-YOEHRIQHSA-N 2 2 382.346 2.845 20 0 GFADLP CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1[NH3+] ZINC000647497374 565661806 /nfs/dbraw/zinc/66/18/06/565661806.db2.gz FETHAAYKHYUAKC-YOEHRIQHSA-N 2 2 382.346 2.845 20 0 GFADLP C[C@H](NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814687 565678008 /nfs/dbraw/zinc/67/80/08/565678008.db2.gz ZPRJBXAJGLJGLF-ZDUSSCGKSA-N 2 2 380.330 2.843 20 0 GFADLP C[C@H](NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000647814687 565678013 /nfs/dbraw/zinc/67/80/13/565678013.db2.gz ZPRJBXAJGLJGLF-ZDUSSCGKSA-N 2 2 380.330 2.843 20 0 GFADLP Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000648316139 565702903 /nfs/dbraw/zinc/70/29/03/565702903.db2.gz IERBEJRLNCBAQW-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000648316139 565702905 /nfs/dbraw/zinc/70/29/05/565702905.db2.gz IERBEJRLNCBAQW-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP CCC[N@H+](C)[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764472 565785216 /nfs/dbraw/zinc/78/52/16/565785216.db2.gz MYPCUAQWPBVPGV-GOSISDBHSA-N 2 2 387.977 2.737 20 0 GFADLP CCC[N@@H+](C)[C@H](C[NH2+]C1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 ZINC000671764472 565785220 /nfs/dbraw/zinc/78/52/20/565785220.db2.gz MYPCUAQWPBVPGV-GOSISDBHSA-N 2 2 387.977 2.737 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000652356496 565924286 /nfs/dbraw/zinc/92/42/86/565924286.db2.gz NORPJUKGUHLKBP-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000652356496 565924289 /nfs/dbraw/zinc/92/42/89/565924289.db2.gz NORPJUKGUHLKBP-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358245 565924405 /nfs/dbraw/zinc/92/44/05/565924405.db2.gz NSGPHBSQCMIQCU-APNQJHFZSA-N 2 2 388.339 2.855 20 0 GFADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358245 565924411 /nfs/dbraw/zinc/92/44/11/565924411.db2.gz NSGPHBSQCMIQCU-APNQJHFZSA-N 2 2 388.339 2.855 20 0 GFADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887413 565981007 /nfs/dbraw/zinc/98/10/07/565981007.db2.gz NIVXFKIWWDCORU-LRDDRELGSA-N 2 2 384.293 2.991 20 0 GFADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Br)cc1F ZINC000631887413 565981010 /nfs/dbraw/zinc/98/10/10/565981010.db2.gz NIVXFKIWWDCORU-LRDDRELGSA-N 2 2 384.293 2.991 20 0 GFADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007352 565993234 /nfs/dbraw/zinc/99/32/34/565993234.db2.gz WANGQCITKHBFAT-PBHICJAKSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Br)cc1 ZINC000678007352 565993242 /nfs/dbraw/zinc/99/32/42/565993242.db2.gz WANGQCITKHBFAT-PBHICJAKSA-N 2 2 394.357 2.837 20 0 GFADLP C[N@H+](CCSc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000679378431 566039577 /nfs/dbraw/zinc/03/95/77/566039577.db2.gz NTYXXDKHXBVJGO-UHFFFAOYSA-N 2 2 376.353 2.791 20 0 GFADLP C[N@@H+](CCSc1cc(Cl)ccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000679378431 566039583 /nfs/dbraw/zinc/03/95/83/566039583.db2.gz NTYXXDKHXBVJGO-UHFFFAOYSA-N 2 2 376.353 2.791 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000657072003 566217642 /nfs/dbraw/zinc/21/76/42/566217642.db2.gz LYSMPVVOOSFGCP-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000657072003 566217648 /nfs/dbraw/zinc/21/76/48/566217648.db2.gz LYSMPVVOOSFGCP-LBPRGKRZSA-N 2 2 382.357 2.544 20 0 GFADLP C[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000736026702 599269423 /nfs/dbraw/zinc/26/94/23/599269423.db2.gz QBDZIZMUODKEKZ-OAHLLOKOSA-N 2 2 385.475 2.696 20 0 GFADLP C[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000736026702 599269425 /nfs/dbraw/zinc/26/94/25/599269425.db2.gz QBDZIZMUODKEKZ-OAHLLOKOSA-N 2 2 385.475 2.696 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820433320 599363072 /nfs/dbraw/zinc/36/30/72/599363072.db2.gz XPRAHGOIXMIMHS-MRXNPFEDSA-N 2 2 378.480 2.550 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCC1([NH+]2CCSCC2)CCCC1 ZINC000823798257 599475629 /nfs/dbraw/zinc/47/56/29/599475629.db2.gz VXYGSPHFCDFBDJ-UHFFFAOYSA-N 2 2 395.536 2.610 20 0 GFADLP CCOCC[N@@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@H]1CC ZINC000821378390 599533861 /nfs/dbraw/zinc/53/38/61/599533861.db2.gz MWNSEIZCKUPUQG-MRXNPFEDSA-N 2 2 395.511 2.660 20 0 GFADLP CCOCC[N@H+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)C[C@H]1CC ZINC000821378390 599533863 /nfs/dbraw/zinc/53/38/63/599533863.db2.gz MWNSEIZCKUPUQG-MRXNPFEDSA-N 2 2 395.511 2.660 20 0 GFADLP COc1ccc(C)[nH+]c1NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826190275 609245863 /nfs/dbraw/zinc/24/58/63/609245863.db2.gz WABCTWGQBWPDIQ-UHFFFAOYSA-N 2 2 379.468 2.655 20 0 GFADLP C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824599979 609441298 /nfs/dbraw/zinc/44/12/98/609441298.db2.gz VGZZPUQYXDRHAU-HNNXBMFYSA-N 2 2 375.436 2.782 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1F ZINC000048402011 654706352 /nfs/dbraw/zinc/70/63/52/654706352.db2.gz CLUUJJKZZIOKBU-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1F ZINC000048402011 654706353 /nfs/dbraw/zinc/70/63/53/654706353.db2.gz CLUUJJKZZIOKBU-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124607345 654779522 /nfs/dbraw/zinc/77/95/22/654779522.db2.gz OTDIBGHBRUBQHJ-XHSDSOJGSA-N 2 2 376.372 2.976 20 0 GFADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124607345 654779523 /nfs/dbraw/zinc/77/95/23/654779523.db2.gz OTDIBGHBRUBQHJ-XHSDSOJGSA-N 2 2 376.372 2.976 20 0 GFADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1SC(F)(F)F ZINC000843385032 661379165 /nfs/dbraw/zinc/37/91/65/661379165.db2.gz QFIKXNDDUBZLDJ-AWEZNQCLSA-N 2 2 375.460 2.787 20 0 GFADLP O=[S@@](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000850349165 661771121 /nfs/dbraw/zinc/77/11/21/661771121.db2.gz DAFJDHPTQGRWBJ-VWLOTQADSA-N 2 2 380.451 2.733 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@H](C(F)F)C1)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000859297282 662151218 /nfs/dbraw/zinc/15/12/18/662151218.db2.gz WYGPUXVFAHJPDK-OKILXGFUSA-N 2 2 386.506 2.627 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@H](C(F)F)C1)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000859297282 662151219 /nfs/dbraw/zinc/15/12/19/662151219.db2.gz WYGPUXVFAHJPDK-OKILXGFUSA-N 2 2 386.506 2.627 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@@H](C(F)F)C1)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000859297282 662151221 /nfs/dbraw/zinc/15/12/21/662151221.db2.gz WYGPUXVFAHJPDK-OKILXGFUSA-N 2 2 386.506 2.627 20 0 GFADLP C[Si](C)(CC[NH+]1CCO[C@@H](C(F)F)C1)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000859297282 662151224 /nfs/dbraw/zinc/15/12/24/662151224.db2.gz WYGPUXVFAHJPDK-OKILXGFUSA-N 2 2 386.506 2.627 20 0 GFADLP C[C@@H]1C[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000903495854 663785750 /nfs/dbraw/zinc/78/57/50/663785750.db2.gz ADLBHBADGJDSLQ-NXEZZACHSA-N 2 2 376.245 2.583 20 0 GFADLP C[C@@H]1C[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000903495854 663785752 /nfs/dbraw/zinc/78/57/52/663785752.db2.gz ADLBHBADGJDSLQ-NXEZZACHSA-N 2 2 376.245 2.583 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000926060358 664680300 /nfs/dbraw/zinc/68/03/00/664680300.db2.gz LXISPNPRUVOIFH-UHFFFAOYSA-N 2 2 375.698 2.647 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806364 720066804 /nfs/dbraw/zinc/06/68/04/720066804.db2.gz BRIFOEXWFWCWJT-UGKGYDQZSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)c(C)c[nH+]1)C2 ZINC001164806364 720066809 /nfs/dbraw/zinc/06/68/09/720066809.db2.gz BRIFOEXWFWCWJT-UGKGYDQZSA-N 2 2 385.556 2.570 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)C2 ZINC001164815625 720185330 /nfs/dbraw/zinc/18/53/30/720185330.db2.gz IPOXIRDOAKTCNP-QMHWCDLVSA-N 2 2 399.583 2.898 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)C2 ZINC001164815625 720185333 /nfs/dbraw/zinc/18/53/33/720185333.db2.gz IPOXIRDOAKTCNP-QMHWCDLVSA-N 2 2 399.583 2.898 20 0 GFADLP Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC001164823587 720338150 /nfs/dbraw/zinc/33/81/50/720338150.db2.gz HEHLLGXOBJEJEZ-OALUTQOASA-N 2 2 385.556 2.820 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841659 720505078 /nfs/dbraw/zinc/50/50/78/720505078.db2.gz ZHBYBWROAFGOIF-YZGWKJHDSA-N 2 2 395.555 2.934 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841659 720505082 /nfs/dbraw/zinc/50/50/82/720505082.db2.gz ZHBYBWROAFGOIF-YZGWKJHDSA-N 2 2 395.555 2.934 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838820 720583767 /nfs/dbraw/zinc/58/37/67/720583767.db2.gz MAUIVUFEOBUOIS-LVCYWYKZSA-N 2 2 380.540 2.848 20 0 GFADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c2c([nH+]1)CCC2 ZINC001164838820 720583776 /nfs/dbraw/zinc/58/37/76/720583776.db2.gz MAUIVUFEOBUOIS-LVCYWYKZSA-N 2 2 380.540 2.848 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900540 721508146 /nfs/dbraw/zinc/50/81/46/721508146.db2.gz SAZUTEGSWFJLCG-IEBWSBKVSA-N 2 2 385.487 2.722 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900540 721508148 /nfs/dbraw/zinc/50/81/48/721508148.db2.gz SAZUTEGSWFJLCG-IEBWSBKVSA-N 2 2 385.487 2.722 20 0 GFADLP C(C[NH+]1CCCC1)[C@@H]1CCCCN1c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001165050473 721975378 /nfs/dbraw/zinc/97/53/78/721975378.db2.gz YKYDAAHIDKLEBB-IBGZPJMESA-N 2 2 399.587 2.917 20 0 GFADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000359868869 209197932 /nfs/dbraw/zinc/19/79/32/209197932.db2.gz KFHUFAXEAALYHT-UHFFFAOYSA-N 2 2 395.494 2.939 20 0 GFADLP C[NH+](C)CC(=O)N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000117431059 551213817 /nfs/dbraw/zinc/21/38/17/551213817.db2.gz NWRUTUQRQNUYJE-HWKANZROSA-N 2 2 380.330 2.558 20 0 GFADLP CC[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000157491525 551538572 /nfs/dbraw/zinc/53/85/72/551538572.db2.gz XWPHWOXMPQMLCU-UHFFFAOYSA-N 2 2 382.346 2.824 20 0 GFADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000157491525 551538574 /nfs/dbraw/zinc/53/85/74/551538574.db2.gz XWPHWOXMPQMLCU-UHFFFAOYSA-N 2 2 382.346 2.824 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000162247551 551605611 /nfs/dbraw/zinc/60/56/11/551605611.db2.gz BLRPMECBJCYLEX-CQSZACIVSA-N 2 2 378.318 2.683 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000175686000 552126906 /nfs/dbraw/zinc/12/69/06/552126906.db2.gz AWHBOIZJTNGLTG-UHFFFAOYSA-N 2 2 387.355 2.861 20 0 GFADLP C[C@H]([NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968817 552208118 /nfs/dbraw/zinc/20/81/18/552208118.db2.gz ZBJUDVYGKPASOB-YOEHRIQHSA-N 2 2 379.551 2.883 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458623 552256953 /nfs/dbraw/zinc/25/69/53/552256953.db2.gz ADWIHDZBLUESNA-MRXNPFEDSA-N 2 2 380.330 2.612 20 0 GFADLP Brc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000181458623 552256955 /nfs/dbraw/zinc/25/69/55/552256955.db2.gz ADWIHDZBLUESNA-MRXNPFEDSA-N 2 2 380.330 2.612 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(Br)n3)CC2)CC1 ZINC000188481829 552446272 /nfs/dbraw/zinc/44/62/72/552446272.db2.gz ILESCRZFXVPRJE-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000261714857 553157268 /nfs/dbraw/zinc/15/72/68/553157268.db2.gz JODJHLUNIKZTLB-QGZVFWFLSA-N 2 2 377.286 2.683 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCCC[NH3+])CC1 ZINC000418516382 563219629 /nfs/dbraw/zinc/21/96/29/563219629.db2.gz XKGZYCUXPAJMJC-KRWDZBQOSA-N 2 2 397.361 2.966 20 0 GFADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883060 563227092 /nfs/dbraw/zinc/22/70/92/563227092.db2.gz PESFAYKNGBPVJQ-QAPCUYQASA-N 2 2 382.346 2.506 20 0 GFADLP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640089 563345228 /nfs/dbraw/zinc/34/52/28/563345228.db2.gz UWVALKRWLXYBEK-RDBSUJKOSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640089 563345231 /nfs/dbraw/zinc/34/52/31/563345231.db2.gz UWVALKRWLXYBEK-RDBSUJKOSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000423117695 563356299 /nfs/dbraw/zinc/35/62/99/563356299.db2.gz WTHHOQWCHVZGDI-ZYHUDNBSSA-N 2 2 394.684 2.801 20 0 GFADLP CC[C@@H]([NH3+])CN[C@@H](c1[nH+]ccn1CC)c1ccc(I)cc1 ZINC000423480498 563361519 /nfs/dbraw/zinc/36/15/19/563361519.db2.gz WDPMGSKDNIPZGZ-HUUCEWRRSA-N 2 2 398.292 2.924 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000375005072 563387673 /nfs/dbraw/zinc/38/76/73/563387673.db2.gz MPNXOGDCHNLHDY-CQSZACIVSA-N 2 2 379.551 2.711 20 0 GFADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301105247 563393127 /nfs/dbraw/zinc/39/31/27/563393127.db2.gz ILVAPJZEUCTXCY-UHFFFAOYSA-N 2 2 377.286 2.573 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(F)cc1Br ZINC000375514055 563408178 /nfs/dbraw/zinc/40/81/78/563408178.db2.gz VLVJRRDANXWDBF-NCAQKEMTSA-N 2 2 395.276 2.992 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425480889 563424606 /nfs/dbraw/zinc/42/46/06/563424606.db2.gz POXFZHORUUEXBG-UHFFFAOYSA-N 2 2 384.571 2.670 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425480889 563424607 /nfs/dbraw/zinc/42/46/07/563424607.db2.gz POXFZHORUUEXBG-UHFFFAOYSA-N 2 2 384.571 2.670 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793902 563486994 /nfs/dbraw/zinc/48/69/94/563486994.db2.gz IZWVYSUMZXPFKS-BAABZTOOSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3csc(Br)c3)C2)CC1 ZINC000377793902 563486995 /nfs/dbraw/zinc/48/69/95/563486995.db2.gz IZWVYSUMZXPFKS-BAABZTOOSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Br)ccn3)CC2)CC1 ZINC000285083037 563502447 /nfs/dbraw/zinc/50/24/47/563502447.db2.gz LIGJZCXEFHZQTI-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP C[C@H]1CN(C(=O)c2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365285 563504632 /nfs/dbraw/zinc/50/46/32/563504632.db2.gz JBPMAHBZERYCTG-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@H]1CN(C(=O)c2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365285 563504633 /nfs/dbraw/zinc/50/46/33/563504633.db2.gz JBPMAHBZERYCTG-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582302 563545755 /nfs/dbraw/zinc/54/57/55/563545755.db2.gz WBFUKZGNEWFBOE-CYBMUJFWSA-N 2 2 378.261 2.971 20 0 GFADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000430582302 563545757 /nfs/dbraw/zinc/54/57/57/563545757.db2.gz WBFUKZGNEWFBOE-CYBMUJFWSA-N 2 2 378.261 2.971 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]cc1Br ZINC000332039631 563573108 /nfs/dbraw/zinc/57/31/08/563573108.db2.gz KHQORABMMRLRGB-CHWSQXEVSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[nH+]cc1Br ZINC000332039631 563573110 /nfs/dbraw/zinc/57/31/10/563573110.db2.gz KHQORABMMRLRGB-CHWSQXEVSA-N 2 2 382.306 2.658 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@H+](C)C1 ZINC000413510679 563695644 /nfs/dbraw/zinc/69/56/44/563695644.db2.gz ZDFHLIQZKDOCFA-LBPRGKRZSA-N 2 2 378.270 2.538 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@@H+](C)C1 ZINC000413510679 563695645 /nfs/dbraw/zinc/69/56/45/563695645.db2.gz ZDFHLIQZKDOCFA-LBPRGKRZSA-N 2 2 378.270 2.538 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339560 563719550 /nfs/dbraw/zinc/71/95/50/563719550.db2.gz YVCQJYADZDBUMT-CQSZACIVSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC000363339560 563719554 /nfs/dbraw/zinc/71/95/54/563719554.db2.gz YVCQJYADZDBUMT-CQSZACIVSA-N 2 2 386.323 2.657 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415099104 563758722 /nfs/dbraw/zinc/75/87/22/563758722.db2.gz XSPBTPGAKZJUFI-KRWDZBQOSA-N 2 2 393.329 2.836 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142378 563761124 /nfs/dbraw/zinc/76/11/24/563761124.db2.gz RHODCARICUSXPC-JKSUJKDBSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142378 563761126 /nfs/dbraw/zinc/76/11/26/563761126.db2.gz RHODCARICUSXPC-JKSUJKDBSA-N 2 2 383.323 2.714 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000367348480 563841746 /nfs/dbraw/zinc/84/17/46/563841746.db2.gz OZMAZMWHLNTYBV-CQSZACIVSA-N 2 2 379.913 2.634 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963289 563882905 /nfs/dbraw/zinc/88/29/05/563882905.db2.gz AKPRAAGGGVNKDR-XHDPSFHLSA-N 2 2 379.555 2.655 20 0 GFADLP Cc1csc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)n1 ZINC000368963289 563882907 /nfs/dbraw/zinc/88/29/07/563882907.db2.gz AKPRAAGGGVNKDR-XHDPSFHLSA-N 2 2 379.555 2.655 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000470847173 564179149 /nfs/dbraw/zinc/17/91/49/564179149.db2.gz KYOKXGBXCRYSSS-SFHVURJKSA-N 2 2 392.341 2.893 20 0 GFADLP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449381725 564183344 /nfs/dbraw/zinc/18/33/44/564183344.db2.gz ZJPQWNOEAKVOIG-GOSISDBHSA-N 2 2 390.325 2.865 20 0 GFADLP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449381725 564183347 /nfs/dbraw/zinc/18/33/47/564183347.db2.gz ZJPQWNOEAKVOIG-GOSISDBHSA-N 2 2 390.325 2.865 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202400 564213151 /nfs/dbraw/zinc/21/31/51/564213151.db2.gz HVDWVQHYAAFEDF-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000539202400 564213153 /nfs/dbraw/zinc/21/31/53/564213153.db2.gz HVDWVQHYAAFEDF-QZTJIDSGSA-N 2 2 394.357 2.969 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565232888 564271701 /nfs/dbraw/zinc/27/17/01/564271701.db2.gz GFNTVTYQABORHT-GJZGRUSLSA-N 2 2 398.370 2.693 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565232888 564271704 /nfs/dbraw/zinc/27/17/04/564271704.db2.gz GFNTVTYQABORHT-GJZGRUSLSA-N 2 2 398.370 2.693 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)c[nH+]c12 ZINC000541382157 564276822 /nfs/dbraw/zinc/27/68/22/564276822.db2.gz PGDIJKXWMJWOEN-UHFFFAOYSA-N 3 2 395.345 2.730 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509433877 564299707 /nfs/dbraw/zinc/29/97/07/564299707.db2.gz VVXFAEZDKFOPBP-CQSZACIVSA-N 2 2 394.357 2.969 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509433877 564299710 /nfs/dbraw/zinc/29/97/10/564299710.db2.gz VVXFAEZDKFOPBP-CQSZACIVSA-N 2 2 394.357 2.969 20 0 GFADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000475620470 564313188 /nfs/dbraw/zinc/31/31/88/564313188.db2.gz FEAYCMPZXHLHJV-UHFFFAOYSA-N 2 2 378.270 2.881 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C)CC[NH+](C)C)[nH+]c12 ZINC000542767354 564326064 /nfs/dbraw/zinc/32/60/64/564326064.db2.gz ARPOYYQEYCXVBE-LBPRGKRZSA-N 2 2 382.306 2.545 20 0 GFADLP CCCSc1nsc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000476473493 564340595 /nfs/dbraw/zinc/34/05/95/564340595.db2.gz TVRGOIPMKNHBBQ-UHFFFAOYSA-N 2 2 386.591 2.530 20 0 GFADLP CCCSc1nsc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000476473493 564340597 /nfs/dbraw/zinc/34/05/97/564340597.db2.gz TVRGOIPMKNHBBQ-UHFFFAOYSA-N 2 2 386.591 2.530 20 0 GFADLP O=C(C[NH2+][C@H](c1ccccc1)c1ccccc1Br)N1CC[NH2+]CC1 ZINC000566791080 564343925 /nfs/dbraw/zinc/34/39/25/564343925.db2.gz OYPIVOVVGMNQBN-LJQANCHMSA-N 2 2 388.309 2.560 20 0 GFADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396461 564348539 /nfs/dbraw/zinc/34/85/39/564348539.db2.gz GQXHFBAKXQRRNZ-CYBMUJFWSA-N 2 2 376.507 2.774 20 0 GFADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396461 564348544 /nfs/dbraw/zinc/34/85/44/564348544.db2.gz GQXHFBAKXQRRNZ-CYBMUJFWSA-N 2 2 376.507 2.774 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512415885 564400659 /nfs/dbraw/zinc/40/06/59/564400659.db2.gz PRFDUGHEQPLXHY-QZKAJAPUSA-N 2 2 390.659 2.620 20 0 GFADLP CC[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)C[C@H](C)[S@]1=O ZINC000512415885 564400664 /nfs/dbraw/zinc/40/06/64/564400664.db2.gz PRFDUGHEQPLXHY-QZKAJAPUSA-N 2 2 390.659 2.620 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000479094904 564424750 /nfs/dbraw/zinc/42/47/50/564424750.db2.gz YKHJGCKEFDYNPZ-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000479094904 564424751 /nfs/dbraw/zinc/42/47/51/564424751.db2.gz YKHJGCKEFDYNPZ-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081845 564425003 /nfs/dbraw/zinc/42/50/03/564425003.db2.gz ROJPUDNEEIKTHK-IRXDYDNUSA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081845 564425007 /nfs/dbraw/zinc/42/50/07/564425007.db2.gz ROJPUDNEEIKTHK-IRXDYDNUSA-N 2 2 398.320 2.969 20 0 GFADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446069 564440548 /nfs/dbraw/zinc/44/05/48/564440548.db2.gz NKDUXRKQKOGYCX-NVXWUHKLSA-N 2 2 388.599 2.768 20 0 GFADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CC)s2)[C@H](C)C1 ZINC000479446069 564440551 /nfs/dbraw/zinc/44/05/51/564440551.db2.gz NKDUXRKQKOGYCX-NVXWUHKLSA-N 2 2 388.599 2.768 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)[nH+]c12 ZINC000546823356 564469686 /nfs/dbraw/zinc/46/96/86/564469686.db2.gz LQLXNUXAPTWXGF-STQMWFEESA-N 2 2 379.302 2.894 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000515615760 564483895 /nfs/dbraw/zinc/48/38/95/564483895.db2.gz OZMXBIUYBBAYHJ-LBPRGKRZSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000515615760 564483897 /nfs/dbraw/zinc/48/38/97/564483897.db2.gz OZMXBIUYBBAYHJ-LBPRGKRZSA-N 2 2 395.223 2.575 20 0 GFADLP [NH3+][C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647990 564507714 /nfs/dbraw/zinc/50/77/14/564507714.db2.gz HBYPZRLHDNHKBQ-NVXWUHKLSA-N 2 2 378.929 2.967 20 0 GFADLP [NH3+][C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647990 564507717 /nfs/dbraw/zinc/50/77/17/564507717.db2.gz HBYPZRLHDNHKBQ-NVXWUHKLSA-N 2 2 378.929 2.967 20 0 GFADLP Cc1csc(Sc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000570542767 564511175 /nfs/dbraw/zinc/51/11/75/564511175.db2.gz ZECUSLUEQDIHTJ-AWEZNQCLSA-N 2 2 377.539 2.709 20 0 GFADLP Cc1csc(Sc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000570542767 564511178 /nfs/dbraw/zinc/51/11/78/564511178.db2.gz ZECUSLUEQDIHTJ-AWEZNQCLSA-N 2 2 377.539 2.709 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665786 564518712 /nfs/dbraw/zinc/51/87/12/564518712.db2.gz DJNPDPTZQCEIOI-ZLIFDBKOSA-N 2 2 385.961 2.772 20 0 GFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665786 564518716 /nfs/dbraw/zinc/51/87/16/564518716.db2.gz DJNPDPTZQCEIOI-ZLIFDBKOSA-N 2 2 385.961 2.772 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000481734376 564521266 /nfs/dbraw/zinc/52/12/66/564521266.db2.gz WFZPKCZBTQEQET-ZANVPECISA-N 2 2 394.684 2.993 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000481734376 564521269 /nfs/dbraw/zinc/52/12/69/564521269.db2.gz WFZPKCZBTQEQET-ZANVPECISA-N 2 2 394.684 2.993 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000482004298 564531438 /nfs/dbraw/zinc/53/14/38/564531438.db2.gz VVVTZDILWSDMNE-UHFFFAOYSA-N 2 2 388.339 2.905 20 0 GFADLP COc1ccc(Br)c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000574675105 564684198 /nfs/dbraw/zinc/68/41/98/564684198.db2.gz FQQIKEAATRRNQM-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1ccc(Br)c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000574675105 564684203 /nfs/dbraw/zinc/68/42/03/564684203.db2.gz FQQIKEAATRRNQM-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752904 564702761 /nfs/dbraw/zinc/70/27/61/564702761.db2.gz QLHXFFCXFKPTFK-HNNXBMFYSA-N 2 2 388.300 2.939 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[NH2+]C[C@H]3C(C)C)[nH+]c12 ZINC000529326037 564829689 /nfs/dbraw/zinc/82/96/89/564829689.db2.gz UAMAUVHVCYDAOL-HNNXBMFYSA-N 2 2 394.317 2.545 20 0 GFADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000582545628 564851214 /nfs/dbraw/zinc/85/12/14/564851214.db2.gz VWELJFHKGPOMDI-RHSMWYFYSA-N 2 2 380.330 2.783 20 0 GFADLP Cc1cc(S(=O)(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)sc1Cl ZINC000530492852 564884349 /nfs/dbraw/zinc/88/43/49/564884349.db2.gz VIHCLWJWDXCRON-UHFFFAOYSA-N 2 2 386.930 2.658 20 0 GFADLP Cc1c[nH+]ccc1CC[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000584048086 564918060 /nfs/dbraw/zinc/91/80/60/564918060.db2.gz BZCXMTWTXUUSSB-UHFFFAOYSA-N 2 2 383.311 2.759 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[nH+]c12 ZINC000584265232 564928055 /nfs/dbraw/zinc/92/80/55/564928055.db2.gz VSLMMGOTNVPWDB-CYBMUJFWSA-N 2 2 396.333 2.933 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[nH+]c12 ZINC000584265232 564928057 /nfs/dbraw/zinc/92/80/57/564928057.db2.gz VSLMMGOTNVPWDB-CYBMUJFWSA-N 2 2 396.333 2.933 20 0 GFADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)[NH+]1CCSCC1 ZINC000533548599 564966158 /nfs/dbraw/zinc/96/61/58/564966158.db2.gz FSXJBLFJHLJPQR-HZPDHXFCSA-N 2 2 381.973 2.983 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866892 564975008 /nfs/dbraw/zinc/97/50/08/564975008.db2.gz NRUTXPPECKJFSU-CYBMUJFWSA-N 2 2 377.286 2.919 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866892 564975012 /nfs/dbraw/zinc/97/50/12/564975012.db2.gz NRUTXPPECKJFSU-CYBMUJFWSA-N 2 2 377.286 2.919 20 0 GFADLP CSCC[C@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C(=O)N(C)C ZINC000561756538 565007900 /nfs/dbraw/zinc/00/79/00/565007900.db2.gz GSMHXKKPGVFTIR-AWEZNQCLSA-N 2 2 399.358 2.705 20 0 GFADLP C[N@H+](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000503410105 565018861 /nfs/dbraw/zinc/01/88/61/565018861.db2.gz VXIYJDZMPBOCCY-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[N@@H+](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000503410105 565018864 /nfs/dbraw/zinc/01/88/64/565018864.db2.gz VXIYJDZMPBOCCY-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@@H](C)O1 ZINC000562989253 565051240 /nfs/dbraw/zinc/05/12/40/565051240.db2.gz GFDQIFHGOBJDPZ-JMSVASOKSA-N 2 2 378.847 2.501 20 0 GFADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801244 565130860 /nfs/dbraw/zinc/13/08/60/565130860.db2.gz PTFQDSLVGFDTMP-IBGZPJMESA-N 2 2 389.341 2.750 20 0 GFADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000657801244 565130865 /nfs/dbraw/zinc/13/08/65/565130865.db2.gz PTFQDSLVGFDTMP-IBGZPJMESA-N 2 2 389.341 2.750 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccsc1 ZINC000590156782 565178730 /nfs/dbraw/zinc/17/87/30/565178730.db2.gz AAQBCMWESMMNHQ-LBPRGKRZSA-N 2 2 375.420 2.609 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000659322072 565212765 /nfs/dbraw/zinc/21/27/65/565212765.db2.gz DNJYYSCHZNKQEE-CYBMUJFWSA-N 2 2 392.322 2.901 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128033 565254748 /nfs/dbraw/zinc/25/47/48/565254748.db2.gz HWXZJDMJRHRIKT-NSHDSACASA-N 2 2 388.269 2.731 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128033 565254751 /nfs/dbraw/zinc/25/47/51/565254751.db2.gz HWXZJDMJRHRIKT-NSHDSACASA-N 2 2 388.269 2.731 20 0 GFADLP Cc1nc(-c2cccs2)c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617763322 565256322 /nfs/dbraw/zinc/25/63/22/565256322.db2.gz NCGRDNFNFIDYND-UHFFFAOYSA-N 2 2 380.583 2.722 20 0 GFADLP Cc1nc(-c2cccs2)c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617763322 565256325 /nfs/dbraw/zinc/25/63/25/565256325.db2.gz NCGRDNFNFIDYND-UHFFFAOYSA-N 2 2 380.583 2.722 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]c2ccccc2c1Br ZINC000617767090 565258687 /nfs/dbraw/zinc/25/86/87/565258687.db2.gz GRIMADZBBWLLHX-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]c2ccccc2c1Br ZINC000617767090 565258688 /nfs/dbraw/zinc/25/86/88/565258688.db2.gz GRIMADZBBWLLHX-UHFFFAOYSA-N 2 2 381.318 2.544 20 0 GFADLP COC(=O)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000592184264 565261511 /nfs/dbraw/zinc/26/15/11/565261511.db2.gz HWHBWDNTPSECFF-UHFFFAOYSA-N 2 2 397.313 2.532 20 0 GFADLP COC(=O)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000592184264 565261523 /nfs/dbraw/zinc/26/15/23/565261523.db2.gz HWHBWDNTPSECFF-UHFFFAOYSA-N 2 2 397.313 2.532 20 0 GFADLP [NH3+][C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1Br ZINC000662387963 565364402 /nfs/dbraw/zinc/36/44/02/565364402.db2.gz NMSOUSLGXIDOBX-KRWDZBQOSA-N 2 2 389.297 2.629 20 0 GFADLP COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000595895249 565496060 /nfs/dbraw/zinc/49/60/60/565496060.db2.gz GOSDRJITDQDNFD-RHSMWYFYSA-N 2 2 381.314 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000666201122 565526823 /nfs/dbraw/zinc/52/68/23/565526823.db2.gz YYUMYPXDKBTVLB-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(F)cc(Br)cc1F ZINC000666201122 565526825 /nfs/dbraw/zinc/52/68/25/565526825.db2.gz YYUMYPXDKBTVLB-UHFFFAOYSA-N 2 2 393.276 2.732 20 0 GFADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)n1 ZINC000623815573 565532107 /nfs/dbraw/zinc/53/21/07/565532107.db2.gz HWWZXVWTOATXRY-UONOGXRCSA-N 2 2 392.257 2.716 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000597028032 565549329 /nfs/dbraw/zinc/54/93/29/565549329.db2.gz ZYVVMSWSEOYOQW-CQSZACIVSA-N 2 2 385.325 2.584 20 0 GFADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000597028032 565549332 /nfs/dbraw/zinc/54/93/32/565549332.db2.gz ZYVVMSWSEOYOQW-CQSZACIVSA-N 2 2 385.325 2.584 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566591 565859201 /nfs/dbraw/zinc/85/92/01/565859201.db2.gz MYXPQTAGRSIIFS-OBJOEFQTSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000629566591 565859203 /nfs/dbraw/zinc/85/92/03/565859203.db2.gz MYXPQTAGRSIIFS-OBJOEFQTSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568451 565859551 /nfs/dbraw/zinc/85/95/51/565859551.db2.gz SNRDAUFXIVHUQY-NJZAAPMLSA-N 2 2 377.838 2.976 20 0 GFADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000629568451 565859556 /nfs/dbraw/zinc/85/95/56/565859556.db2.gz SNRDAUFXIVHUQY-NJZAAPMLSA-N 2 2 377.838 2.976 20 0 GFADLP O[C@H](C[NH2+]Cc1cc(Br)ccc1Br)C[NH+]1CCCC1 ZINC000629575632 565860666 /nfs/dbraw/zinc/86/06/66/565860666.db2.gz JUDUIRZNMKUNKY-CYBMUJFWSA-N 2 2 392.135 2.758 20 0 GFADLP Cc1cc(Br)cn2c(CNc3cnn(CC[NH+](C)C)c3)c[nH+]c12 ZINC000651990921 565909854 /nfs/dbraw/zinc/90/98/54/565909854.db2.gz ABYORYFCCIASBY-UHFFFAOYSA-N 2 2 377.290 2.775 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360661 565924205 /nfs/dbraw/zinc/92/42/05/565924205.db2.gz NREDONOLAFENDH-XYPHTWIQSA-N 2 2 396.329 2.748 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360661 565924211 /nfs/dbraw/zinc/92/42/11/565924211.db2.gz NREDONOLAFENDH-XYPHTWIQSA-N 2 2 396.329 2.748 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184962 565924666 /nfs/dbraw/zinc/92/46/66/565924666.db2.gz MEJWJHCDAYQKQO-CQSZACIVSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3Cl)C2)CC1 ZINC000604184962 565924672 /nfs/dbraw/zinc/92/46/72/565924672.db2.gz MEJWJHCDAYQKQO-CQSZACIVSA-N 2 2 385.339 2.961 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360658 565924861 /nfs/dbraw/zinc/92/48/61/565924861.db2.gz NREDONOLAFENDH-COXVUDFISA-N 2 2 396.329 2.748 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360658 565924868 /nfs/dbraw/zinc/92/48/68/565924868.db2.gz NREDONOLAFENDH-COXVUDFISA-N 2 2 396.329 2.748 20 0 GFADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358246 565924898 /nfs/dbraw/zinc/92/48/98/565924898.db2.gz NSGPHBSQCMIQCU-HPTBWKMGSA-N 2 2 388.339 2.855 20 0 GFADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358246 565924904 /nfs/dbraw/zinc/92/49/04/565924904.db2.gz NSGPHBSQCMIQCU-HPTBWKMGSA-N 2 2 388.339 2.855 20 0 GFADLP Brc1cnccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000631044185 565935363 /nfs/dbraw/zinc/93/53/63/565935363.db2.gz MEYFAMALCFAFAS-UHFFFAOYSA-N 2 2 376.298 2.966 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888509 565981383 /nfs/dbraw/zinc/98/13/83/565981383.db2.gz WQONKALUZKYLLK-IUODEOHRSA-N 2 2 386.359 2.543 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888509 565981389 /nfs/dbraw/zinc/98/13/89/565981389.db2.gz WQONKALUZKYLLK-IUODEOHRSA-N 2 2 386.359 2.543 20 0 GFADLP Brc1ccc(-c2nnc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)o1 ZINC000679435684 566040417 /nfs/dbraw/zinc/04/04/17/566040417.db2.gz NZLDOHMWWSQTEE-UHFFFAOYSA-N 2 2 390.241 2.809 20 0 GFADLP Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680867260 566086851 /nfs/dbraw/zinc/08/68/51/566086851.db2.gz DFLSZCCUEPSQCA-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680867260 566086856 /nfs/dbraw/zinc/08/68/56/566086856.db2.gz DFLSZCCUEPSQCA-HNNXBMFYSA-N 2 2 394.357 2.964 20 0 GFADLP CN(C(=O)c1cccc(Br)c1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683243747 566190417 /nfs/dbraw/zinc/19/04/17/566190417.db2.gz HHEPJTRTFZGXAY-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cccc(Br)c1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683243747 566190422 /nfs/dbraw/zinc/19/04/22/566190422.db2.gz HHEPJTRTFZGXAY-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000738432609 599274523 /nfs/dbraw/zinc/27/45/23/599274523.db2.gz JXMVEKIABALHHC-KRWDZBQOSA-N 2 2 385.475 2.913 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000738432609 599274525 /nfs/dbraw/zinc/27/45/25/599274525.db2.gz JXMVEKIABALHHC-KRWDZBQOSA-N 2 2 385.475 2.913 20 0 GFADLP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1-c1nn[nH]n1 ZINC000821803356 599393112 /nfs/dbraw/zinc/39/31/12/599393112.db2.gz FRHDWYJLILZMQX-AWEZNQCLSA-N 2 2 375.436 2.912 20 0 GFADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)CCO1 ZINC000820759132 607477229 /nfs/dbraw/zinc/47/72/29/607477229.db2.gz HOZBGYCBQVXDFY-HNNXBMFYSA-N 2 2 396.470 2.516 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)CCO1 ZINC000820759132 607477231 /nfs/dbraw/zinc/47/72/31/607477231.db2.gz HOZBGYCBQVXDFY-HNNXBMFYSA-N 2 2 396.470 2.516 20 0 GFADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000826304351 607735221 /nfs/dbraw/zinc/73/52/21/607735221.db2.gz IIFVKPOWUQZSHF-UHFFFAOYSA-N 2 2 395.511 2.518 20 0 GFADLP CC[N@@H+]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000821268333 606464223 /nfs/dbraw/zinc/46/42/23/606464223.db2.gz VDIMSPVDEJJTDB-UHFFFAOYSA-N 2 2 389.410 2.548 20 0 GFADLP CC[N@H+]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000821268333 606464225 /nfs/dbraw/zinc/46/42/25/606464225.db2.gz VDIMSPVDEJJTDB-UHFFFAOYSA-N 2 2 389.410 2.548 20 0 GFADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935734 608638997 /nfs/dbraw/zinc/63/89/97/608638997.db2.gz CRWHGPXEODARBB-IAGOWNOFSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935734 608639000 /nfs/dbraw/zinc/63/90/00/608639000.db2.gz CRWHGPXEODARBB-IAGOWNOFSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935734 608639004 /nfs/dbraw/zinc/63/90/04/608639004.db2.gz CRWHGPXEODARBB-IAGOWNOFSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935734 608639008 /nfs/dbraw/zinc/63/90/08/608639008.db2.gz CRWHGPXEODARBB-IAGOWNOFSA-N 2 2 394.527 2.601 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521532 608845081 /nfs/dbraw/zinc/84/50/81/608845081.db2.gz QGCHURHTZLHPDS-MJGOQNOKSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521532 608845082 /nfs/dbraw/zinc/84/50/82/608845082.db2.gz QGCHURHTZLHPDS-MJGOQNOKSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521532 608845084 /nfs/dbraw/zinc/84/50/84/608845084.db2.gz QGCHURHTZLHPDS-MJGOQNOKSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521532 608845085 /nfs/dbraw/zinc/84/50/85/608845085.db2.gz QGCHURHTZLHPDS-MJGOQNOKSA-N 2 2 378.480 2.946 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824658425 609347238 /nfs/dbraw/zinc/34/72/38/609347238.db2.gz XAOZOFDFMLMDDV-XJKSGUPXSA-N 2 2 396.474 2.714 20 0 GFADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034445 609364170 /nfs/dbraw/zinc/36/41/70/609364170.db2.gz QVEXUFNOODKXSR-ZBFHGGJFSA-N 2 2 391.317 2.545 20 0 GFADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034445 609364172 /nfs/dbraw/zinc/36/41/72/609364172.db2.gz QVEXUFNOODKXSR-ZBFHGGJFSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034445 609364174 /nfs/dbraw/zinc/36/41/74/609364174.db2.gz QVEXUFNOODKXSR-ZBFHGGJFSA-N 2 2 391.317 2.545 20 0 GFADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3Br)CC[C@@H]21 ZINC000826034445 609364176 /nfs/dbraw/zinc/36/41/76/609364176.db2.gz QVEXUFNOODKXSR-ZBFHGGJFSA-N 2 2 391.317 2.545 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(Br)o3)CC2)CC1 ZINC000823114606 660362218 /nfs/dbraw/zinc/36/22/18/660362218.db2.gz XMUZYMIKXKJTQL-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(Br)o3)CC2)CC1 ZINC000823114606 660362220 /nfs/dbraw/zinc/36/22/20/660362220.db2.gz XMUZYMIKXKJTQL-UHFFFAOYSA-N 2 2 398.345 2.983 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(Br)cs1 ZINC000834501935 660822460 /nfs/dbraw/zinc/82/24/60/660822460.db2.gz KXDXATVMUAEFRA-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185022173 655361901 /nfs/dbraw/zinc/36/19/01/655361901.db2.gz QQHBOTSXFKEBEA-QWHCGFSZSA-N 2 2 388.325 2.970 20 0 GFADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812555 655437796 /nfs/dbraw/zinc/43/77/96/655437796.db2.gz NJFQHYNEGWYQAQ-GOSISDBHSA-N 2 2 385.346 2.743 20 0 GFADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812555 655437797 /nfs/dbraw/zinc/43/77/97/655437797.db2.gz NJFQHYNEGWYQAQ-GOSISDBHSA-N 2 2 385.346 2.743 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812555 655437799 /nfs/dbraw/zinc/43/77/99/655437799.db2.gz NJFQHYNEGWYQAQ-GOSISDBHSA-N 2 2 385.346 2.743 20 0 GFADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000575812555 655437801 /nfs/dbraw/zinc/43/78/01/655437801.db2.gz NJFQHYNEGWYQAQ-GOSISDBHSA-N 2 2 385.346 2.743 20 0 GFADLP C[NH2+]CCC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000261974176 655443355 /nfs/dbraw/zinc/44/33/55/655443355.db2.gz QMLCPUJZYUUWQA-UHFFFAOYSA-N 2 2 389.359 2.544 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000576400103 655446775 /nfs/dbraw/zinc/44/67/75/655446775.db2.gz WEMDZMYGFIFYRI-UONOGXRCSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000576400103 655446778 /nfs/dbraw/zinc/44/67/78/655446778.db2.gz WEMDZMYGFIFYRI-UONOGXRCSA-N 2 2 399.329 2.869 20 0 GFADLP O=c1c(Br)nn(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751280 655888434 /nfs/dbraw/zinc/88/84/34/655888434.db2.gz VNBAJQFKEGAWSV-CQSZACIVSA-N 2 2 391.313 2.534 20 0 GFADLP O=c1c(Br)nn(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc12 ZINC000755751280 655888436 /nfs/dbraw/zinc/88/84/36/655888436.db2.gz VNBAJQFKEGAWSV-CQSZACIVSA-N 2 2 391.313 2.534 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774978365 656579247 /nfs/dbraw/zinc/57/92/47/656579247.db2.gz OVWOEGALAFRVGN-UHFFFAOYSA-N 2 2 384.343 2.995 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1Cc2c(cccc2Br)C1=O ZINC000802733508 659500836 /nfs/dbraw/zinc/50/08/36/659500836.db2.gz LDIHWYMIXLEFMC-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1Cc2c(cccc2Br)C1=O ZINC000802733508 659500842 /nfs/dbraw/zinc/50/08/42/659500842.db2.gz LDIHWYMIXLEFMC-UHFFFAOYSA-N 2 2 377.286 2.889 20 0 GFADLP Cn1c[nH+]cc1CCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000846889313 661568797 /nfs/dbraw/zinc/56/87/97/661568797.db2.gz BFAMFEDJNQINQG-UHFFFAOYSA-N 2 2 385.331 2.555 20 0 GFADLP O=[S@](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000850349164 661771036 /nfs/dbraw/zinc/77/10/36/661771036.db2.gz DAFJDHPTQGRWBJ-RUZDIDTESA-N 2 2 380.451 2.733 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CC2 ZINC000850434016 661775948 /nfs/dbraw/zinc/77/59/48/661775948.db2.gz UAFRRACMFYAHAE-YQQAZPJKSA-N 2 2 398.288 2.731 20 0 GFADLP Ic1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CC2 ZINC000850434016 661775951 /nfs/dbraw/zinc/77/59/51/661775951.db2.gz UAFRRACMFYAHAE-YQQAZPJKSA-N 2 2 398.288 2.731 20 0 GFADLP CC1(C)OC[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000852038304 661850189 /nfs/dbraw/zinc/85/01/89/661850189.db2.gz AYCPCCUAQACMPT-CQSZACIVSA-N 2 2 384.274 2.892 20 0 GFADLP CC1(C)OC[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)O1 ZINC000852038304 661850191 /nfs/dbraw/zinc/85/01/91/661850191.db2.gz AYCPCCUAQACMPT-CQSZACIVSA-N 2 2 384.274 2.892 20 0 GFADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Br)c2)CCO1 ZINC000858107390 662099271 /nfs/dbraw/zinc/09/92/71/662099271.db2.gz AUTGABQLMVKSDN-AWEZNQCLSA-N 2 2 393.329 2.693 20 0 GFADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3Br)c2)CCO1 ZINC000858107390 662099274 /nfs/dbraw/zinc/09/92/74/662099274.db2.gz AUTGABQLMVKSDN-AWEZNQCLSA-N 2 2 393.329 2.693 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483469 662424448 /nfs/dbraw/zinc/42/44/48/662424448.db2.gz RZIMMKCRHBBODD-WFASDCNBSA-N 2 2 385.496 2.859 20 0 GFADLP Brc1ccc2c(c1)C[N@@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758487 663805950 /nfs/dbraw/zinc/80/59/50/663805950.db2.gz LAJGTNPFLLKFTB-MRXNPFEDSA-N 2 2 381.314 2.802 20 0 GFADLP Brc1ccc2c(c1)C[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CCO2 ZINC000903758487 663805952 /nfs/dbraw/zinc/80/59/52/663805952.db2.gz LAJGTNPFLLKFTB-MRXNPFEDSA-N 2 2 381.314 2.802 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2SCC(F)(F)F)CC1 ZINC000925925784 664677450 /nfs/dbraw/zinc/67/74/50/664677450.db2.gz KYKFXTUDIZYXFF-UHFFFAOYSA-N 2 2 376.448 2.886 20 0 GFADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577012 664829354 /nfs/dbraw/zinc/82/93/54/664829354.db2.gz IMIWZLCNLCVTJI-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1Br ZINC000932577012 664829355 /nfs/dbraw/zinc/82/93/55/664829355.db2.gz IMIWZLCNLCVTJI-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546311 677395292 /nfs/dbraw/zinc/39/52/92/677395292.db2.gz KXDQPFVISYDACV-MRXNPFEDSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000115546311 677395295 /nfs/dbraw/zinc/39/52/95/677395295.db2.gz KXDQPFVISYDACV-MRXNPFEDSA-N 2 2 391.339 2.512 20 0 GFADLP [NH3+]C1([C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621834 719116443 /nfs/dbraw/zinc/11/64/43/719116443.db2.gz BDOSTAZOVRIZKP-IEBWSBKVSA-N 2 2 381.499 2.548 20 0 GFADLP [NH3+]C1([C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2CF)CC1 ZINC001164621834 719116446 /nfs/dbraw/zinc/11/64/46/719116446.db2.gz BDOSTAZOVRIZKP-IEBWSBKVSA-N 2 2 381.499 2.548 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC001164823589 720338062 /nfs/dbraw/zinc/33/80/62/720338062.db2.gz HEHLLGXOBJEJEZ-RBUKOAKNSA-N 2 2 385.556 2.820 20 0 GFADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766184 721236737 /nfs/dbraw/zinc/23/67/37/721236737.db2.gz STTMIUYUKNIYBN-DLBZAZTESA-N 2 2 376.508 2.743 20 0 GFADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5c6c([nH]c54)CCC6)C[C@H]3C2)cn1 ZINC001164766184 721236742 /nfs/dbraw/zinc/23/67/42/721236742.db2.gz STTMIUYUKNIYBN-DLBZAZTESA-N 2 2 376.508 2.743 20 0 GFADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164906965 721551846 /nfs/dbraw/zinc/55/18/46/721551846.db2.gz LLCCYTGWQPMLQO-ICSRJNTNSA-N 2 2 397.498 2.948 20 0 GFADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[N@H+]3C2)c1 ZINC001164906965 721551850 /nfs/dbraw/zinc/55/18/50/721551850.db2.gz LLCCYTGWQPMLQO-ICSRJNTNSA-N 2 2 397.498 2.948 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164808809 721567487 /nfs/dbraw/zinc/56/74/87/721567487.db2.gz VSCTZYSBFGCLEP-CNNODRBYSA-N 2 2 396.539 2.586 20 0 GFADLP CCN(CC)c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc[nH+]1 ZINC001164808809 721567488 /nfs/dbraw/zinc/56/74/88/721567488.db2.gz VSCTZYSBFGCLEP-CNNODRBYSA-N 2 2 396.539 2.586 20 0 GFADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959959 722058410 /nfs/dbraw/zinc/05/84/10/722058410.db2.gz ANINLJHIPZLJJT-UHFFFAOYSA-N 2 2 382.508 2.913 20 0 GFADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164959959 722058412 /nfs/dbraw/zinc/05/84/12/722058412.db2.gz ANINLJHIPZLJJT-UHFFFAOYSA-N 2 2 382.508 2.913 20 0 GFADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359872004 209197687 /nfs/dbraw/zinc/19/76/87/209197687.db2.gz KQPGAOYKOKPJMB-GOSISDBHSA-N 2 2 386.544 2.550 20 0 GFADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000359872004 209197689 /nfs/dbraw/zinc/19/76/89/209197689.db2.gz KQPGAOYKOKPJMB-GOSISDBHSA-N 2 2 386.544 2.550 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000131259496 551373444 /nfs/dbraw/zinc/37/34/44/551373444.db2.gz SUIFNPKMRSGEPE-DYVFJYSZSA-N 2 2 391.313 2.664 20 0 GFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000131259496 551373447 /nfs/dbraw/zinc/37/34/47/551373447.db2.gz SUIFNPKMRSGEPE-DYVFJYSZSA-N 2 2 391.313 2.664 20 0 GFADLP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000153308176 551449862 /nfs/dbraw/zinc/44/98/62/551449862.db2.gz RXSANJROWLXRKP-HUUCEWRRSA-N 2 2 398.345 2.724 20 0 GFADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277256 551618118 /nfs/dbraw/zinc/61/81/18/551618118.db2.gz IWFVFZAZTTZKOE-YOEHRIQHSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277256 551618122 /nfs/dbraw/zinc/61/81/22/551618122.db2.gz IWFVFZAZTTZKOE-YOEHRIQHSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163721035 551622040 /nfs/dbraw/zinc/62/20/40/551622040.db2.gz IMHUUOQFZFHNHR-OAHLLOKOSA-N 2 2 393.329 2.656 20 0 GFADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000168918649 551634626 /nfs/dbraw/zinc/63/46/26/551634626.db2.gz QVOTVZAIWIWDDL-SFHVURJKSA-N 2 2 383.989 2.857 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000174546320 552106306 /nfs/dbraw/zinc/10/63/06/552106306.db2.gz DMMGJJUBFCKLBC-HNNXBMFYSA-N 2 2 385.339 2.644 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181110438 552246769 /nfs/dbraw/zinc/24/67/69/552246769.db2.gz KVAZUUGPVHUYRA-UHFFFAOYSA-N 2 2 379.302 2.626 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181110438 552246770 /nfs/dbraw/zinc/24/67/70/552246770.db2.gz KVAZUUGPVHUYRA-UHFFFAOYSA-N 2 2 379.302 2.626 20 0 GFADLP Cc1cccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000190318542 552492428 /nfs/dbraw/zinc/49/24/28/552492428.db2.gz BPBLDHDCEJYRFU-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073522 552548853 /nfs/dbraw/zinc/54/88/53/552548853.db2.gz HKFKYNMBMLPPSV-QAPCUYQASA-N 2 2 392.341 2.972 20 0 GFADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc(Br)c1 ZINC000192073522 552548856 /nfs/dbraw/zinc/54/88/56/552548856.db2.gz HKFKYNMBMLPPSV-QAPCUYQASA-N 2 2 392.341 2.972 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193232808 552987495 /nfs/dbraw/zinc/98/74/95/552987495.db2.gz DPWLXQXHUOCAJO-CQSZACIVSA-N 2 2 382.346 2.822 20 0 GFADLP C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716595 553095357 /nfs/dbraw/zinc/09/53/57/553095357.db2.gz UFBRQZQEVNLOHS-QGPMSJSTSA-N 2 2 394.313 2.968 20 0 GFADLP C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245716595 553095361 /nfs/dbraw/zinc/09/53/61/553095361.db2.gz UFBRQZQEVNLOHS-QGPMSJSTSA-N 2 2 394.313 2.968 20 0 GFADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1 ZINC000246208630 553104424 /nfs/dbraw/zinc/10/44/24/553104424.db2.gz XCTUXMJTASSTEU-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1 ZINC000246208630 553104427 /nfs/dbraw/zinc/10/44/27/553104427.db2.gz XCTUXMJTASSTEU-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000246208630 553104430 /nfs/dbraw/zinc/10/44/30/553104430.db2.gz XCTUXMJTASSTEU-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP C[C@@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000246208630 553104433 /nfs/dbraw/zinc/10/44/33/553104433.db2.gz XCTUXMJTASSTEU-CABCVRRESA-N 2 2 382.346 2.900 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491335 553108822 /nfs/dbraw/zinc/10/88/22/553108822.db2.gz RYAZPIJVOGQNLM-GJZGRUSLSA-N 2 2 376.302 2.951 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491335 553108824 /nfs/dbraw/zinc/10/88/24/553108824.db2.gz RYAZPIJVOGQNLM-GJZGRUSLSA-N 2 2 376.302 2.951 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000262097025 553165950 /nfs/dbraw/zinc/16/59/50/553165950.db2.gz VFOXVHDRTLYRNY-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Br ZINC000262097025 553165951 /nfs/dbraw/zinc/16/59/51/553165951.db2.gz VFOXVHDRTLYRNY-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)C[N@@H+]1C1CC1 ZINC000509439749 564299153 /nfs/dbraw/zinc/29/91/53/564299153.db2.gz PMDRIXGPJNRQAN-JSGCOSHPSA-N 2 2 386.277 2.885 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCOc2ccc(I)cc2)C[N@H+]1C1CC1 ZINC000509439749 564299157 /nfs/dbraw/zinc/29/91/57/564299157.db2.gz PMDRIXGPJNRQAN-JSGCOSHPSA-N 2 2 386.277 2.885 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561387 563213568 /nfs/dbraw/zinc/21/35/68/563213568.db2.gz NGWQFHBPQKYKHE-PREGVCBESA-N 2 2 380.330 2.625 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000277561387 563213571 /nfs/dbraw/zinc/21/35/71/563213571.db2.gz NGWQFHBPQKYKHE-PREGVCBESA-N 2 2 380.330 2.625 20 0 GFADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883061 563227360 /nfs/dbraw/zinc/22/73/60/563227360.db2.gz PESFAYKNGBPVJQ-YJBOKZPZSA-N 2 2 382.346 2.506 20 0 GFADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486495 563257763 /nfs/dbraw/zinc/25/77/63/563257763.db2.gz PDCPVTZCLYKCIZ-ZMSDIMECSA-N 2 2 378.314 2.771 20 0 GFADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1cccc(Br)c1 ZINC000278486495 563257764 /nfs/dbraw/zinc/25/77/64/563257764.db2.gz PDCPVTZCLYKCIZ-ZMSDIMECSA-N 2 2 378.314 2.771 20 0 GFADLP O=S(=O)(NC1CC[NH+](CCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000371187842 563267609 /nfs/dbraw/zinc/26/76/09/563267609.db2.gz GWUHAHLUHMRAJF-UHFFFAOYSA-N 2 2 385.961 2.569 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944534 563351828 /nfs/dbraw/zinc/35/18/28/563351828.db2.gz MLFRYUXSMHKCCH-MAUKXSAKSA-N 2 2 397.357 2.854 20 0 GFADLP CC[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422987037 563352715 /nfs/dbraw/zinc/35/27/15/563352715.db2.gz DYALVJVUGUWWHQ-SJORKVTESA-N 2 2 382.346 2.906 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423015086 563353065 /nfs/dbraw/zinc/35/30/65/563353065.db2.gz QJYNSXCRTMHBPR-WCQYABFASA-N 2 2 381.826 2.879 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430464 563372060 /nfs/dbraw/zinc/37/20/60/563372060.db2.gz SLBVLZFGGDLORQ-FVQBIDKESA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430464 563372062 /nfs/dbraw/zinc/37/20/62/563372062.db2.gz SLBVLZFGGDLORQ-FVQBIDKESA-N 2 2 397.313 2.861 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(CN3CCN(C4=[NH+]C[C@H](C)S4)CC3)sc2C1 ZINC000374957684 563386614 /nfs/dbraw/zinc/38/66/14/563386614.db2.gz XMRHPNGNDUGSGA-AWEZNQCLSA-N 2 2 379.599 2.519 20 0 GFADLP CC(C)[N@H+]1CCc2nc(CN3CCN(C4=[NH+]C[C@H](C)S4)CC3)sc2C1 ZINC000374957684 563386617 /nfs/dbraw/zinc/38/66/17/563386617.db2.gz XMRHPNGNDUGSGA-AWEZNQCLSA-N 2 2 379.599 2.519 20 0 GFADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377633897 563481638 /nfs/dbraw/zinc/48/16/38/563481638.db2.gz YLTMJCVHIRMPQA-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377633897 563481641 /nfs/dbraw/zinc/48/16/41/563481641.db2.gz YLTMJCVHIRMPQA-INIZCTEOSA-N 2 2 396.373 2.917 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000428248482 563485976 /nfs/dbraw/zinc/48/59/76/563485976.db2.gz LTFHFLWFUIWIRS-AWEZNQCLSA-N 2 2 391.313 2.653 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377788546 563486494 /nfs/dbraw/zinc/48/64/94/563486494.db2.gz XFKWSFUCNDTDRI-MRVPVSSYSA-N 2 2 389.187 2.940 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377788546 563486495 /nfs/dbraw/zinc/48/64/95/563486495.db2.gz XFKWSFUCNDTDRI-MRVPVSSYSA-N 2 2 389.187 2.940 20 0 GFADLP Cc1c(Br)cccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378375224 563504313 /nfs/dbraw/zinc/50/43/13/563504313.db2.gz ZVBPYGHKEQRYQR-CQSZACIVSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1c(Br)cccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378375224 563504318 /nfs/dbraw/zinc/50/43/18/563504318.db2.gz ZVBPYGHKEQRYQR-CQSZACIVSA-N 2 2 394.357 2.998 20 0 GFADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954053 563550918 /nfs/dbraw/zinc/55/09/18/563550918.db2.gz DGKOCCUCTWYAOA-VIFPVBQESA-N 2 2 380.208 2.687 20 0 GFADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430954053 563550919 /nfs/dbraw/zinc/55/09/19/563550919.db2.gz DGKOCCUCTWYAOA-VIFPVBQESA-N 2 2 380.208 2.687 20 0 GFADLP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1nc(C(F)(F)F)cs1 ZINC000411512698 563621781 /nfs/dbraw/zinc/62/17/81/563621781.db2.gz BNTXYXOUWPPZFD-LBPRGKRZSA-N 2 2 378.464 2.803 20 0 GFADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000289699314 563683704 /nfs/dbraw/zinc/68/37/04/563683704.db2.gz KIQWTLFOYQNXGA-CQSZACIVSA-N 2 2 390.329 2.842 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](CCCSCc3ccccc3)CC2)C1 ZINC000363749295 563732079 /nfs/dbraw/zinc/73/20/79/563732079.db2.gz SUVANTAQMDSGJW-LJQANCHMSA-N 2 2 382.595 2.551 20 0 GFADLP CN(C(=O)c1c(F)cccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364251318 563747768 /nfs/dbraw/zinc/74/77/68/563747768.db2.gz FWLBGHXFJGXMGH-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1c(F)cccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364251318 563747771 /nfs/dbraw/zinc/74/77/71/563747771.db2.gz FWLBGHXFJGXMGH-CQSZACIVSA-N 2 2 398.320 2.829 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134375 563760096 /nfs/dbraw/zinc/76/00/96/563760096.db2.gz DQNGCDZPDGRIEC-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134375 563760099 /nfs/dbraw/zinc/76/00/99/563760099.db2.gz DQNGCDZPDGRIEC-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000444706847 563835937 /nfs/dbraw/zinc/83/59/37/563835937.db2.gz OWUXNRSMWNDHNV-CQSZACIVSA-N 2 2 375.460 2.667 20 0 GFADLP O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000444706847 563835941 /nfs/dbraw/zinc/83/59/41/563835941.db2.gz OWUXNRSMWNDHNV-CQSZACIVSA-N 2 2 375.460 2.667 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000369004393 563884130 /nfs/dbraw/zinc/88/41/30/563884130.db2.gz XIKRQXUCNXLTTJ-ZBCRRDGASA-N 2 2 382.492 2.596 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCC([C@H](C)[NH3+])CC3)[nH+]c12 ZINC000418021386 563895421 /nfs/dbraw/zinc/89/54/21/563895421.db2.gz JCRPHOXGGRJAHX-LBPRGKRZSA-N 2 2 394.317 2.674 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]c12 ZINC000418016978 563895666 /nfs/dbraw/zinc/89/56/66/563895666.db2.gz GJZJBDOQFUKREI-TZMCWYRMSA-N 2 2 394.317 2.722 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1F ZINC000449113145 563907004 /nfs/dbraw/zinc/90/70/04/563907004.db2.gz VKDQYKIUHURPPU-OAHLLOKOSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1F ZINC000449113145 563907006 /nfs/dbraw/zinc/90/70/06/563907006.db2.gz VKDQYKIUHURPPU-OAHLLOKOSA-N 2 2 386.309 2.621 20 0 GFADLP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936907 564181180 /nfs/dbraw/zinc/18/11/80/564181180.db2.gz HPQFYYATZZSGTM-DZGCQCFKSA-N 2 2 375.460 2.665 20 0 GFADLP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000470936907 564181181 /nfs/dbraw/zinc/18/11/81/564181181.db2.gz HPQFYYATZZSGTM-DZGCQCFKSA-N 2 2 375.460 2.665 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449599499 564191236 /nfs/dbraw/zinc/19/12/36/564191236.db2.gz LESUXYGAQZGQRE-URLQWDBASA-N 2 2 381.358 2.981 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1Br ZINC000449599499 564191240 /nfs/dbraw/zinc/19/12/40/564191240.db2.gz LESUXYGAQZGQRE-URLQWDBASA-N 2 2 381.358 2.981 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201455 564213218 /nfs/dbraw/zinc/21/32/18/564213218.db2.gz BHCCVYTVHUSMKG-SJORKVTESA-N 2 2 380.330 2.830 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000539201455 564213221 /nfs/dbraw/zinc/21/32/21/564213221.db2.gz BHCCVYTVHUSMKG-SJORKVTESA-N 2 2 380.330 2.830 20 0 GFADLP C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1CC[NH+](CCO)CC1 ZINC000450366591 564229644 /nfs/dbraw/zinc/22/96/44/564229644.db2.gz UDWRDDSVOCUUSO-UHFFFAOYSA-N 2 2 383.330 2.801 20 0 GFADLP C[N@@H+](CCCC(=O)c1ccc(Br)cc1)C1CC[NH+](CCO)CC1 ZINC000450366591 564229649 /nfs/dbraw/zinc/22/96/49/564229649.db2.gz UDWRDDSVOCUUSO-UHFFFAOYSA-N 2 2 383.330 2.801 20 0 GFADLP COC(=O)C1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000450975381 564258194 /nfs/dbraw/zinc/25/81/94/564258194.db2.gz AGCPWGLIUUOMDT-UHFFFAOYSA-N 2 2 382.258 2.694 20 0 GFADLP COC(=O)C1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000450975381 564258197 /nfs/dbraw/zinc/25/81/97/564258197.db2.gz AGCPWGLIUUOMDT-UHFFFAOYSA-N 2 2 382.258 2.694 20 0 GFADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474713838 564286789 /nfs/dbraw/zinc/28/67/89/564286789.db2.gz MUOLDRBCIKNFFC-CYBMUJFWSA-N 2 2 380.252 2.803 20 0 GFADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474713838 564286791 /nfs/dbraw/zinc/28/67/91/564286791.db2.gz MUOLDRBCIKNFFC-CYBMUJFWSA-N 2 2 380.252 2.803 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480618 564328277 /nfs/dbraw/zinc/32/82/77/564328277.db2.gz YMDBMWJSBNVNKD-ICXUMSERSA-N 2 2 394.357 2.999 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000566480618 564328283 /nfs/dbraw/zinc/32/82/83/564328283.db2.gz YMDBMWJSBNVNKD-ICXUMSERSA-N 2 2 394.357 2.999 20 0 GFADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396465 564348828 /nfs/dbraw/zinc/34/88/28/564348828.db2.gz GQXHFBAKXQRRNZ-ZDUSSCGKSA-N 2 2 376.507 2.774 20 0 GFADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396465 564348829 /nfs/dbraw/zinc/34/88/29/564348829.db2.gz GQXHFBAKXQRRNZ-ZDUSSCGKSA-N 2 2 376.507 2.774 20 0 GFADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)cn3)CC2)CC1 ZINC000543617812 564355410 /nfs/dbraw/zinc/35/54/10/564355410.db2.gz FUTJBLCOOBQXOJ-UHFFFAOYSA-N 2 2 381.362 2.694 20 0 GFADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000567611152 564379850 /nfs/dbraw/zinc/37/98/50/564379850.db2.gz LUPVPMZPFYBMLY-HOCLYGCPSA-N 2 2 391.313 2.672 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479060709 564424295 /nfs/dbraw/zinc/42/42/95/564424295.db2.gz NFVQRENMAFSYTO-GOSISDBHSA-N 2 2 394.357 2.969 20 0 GFADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696539 564454711 /nfs/dbraw/zinc/45/47/11/564454711.db2.gz MDUURSFZSMIJCH-CQSZACIVSA-N 2 2 378.318 2.850 20 0 GFADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000514696539 564454714 /nfs/dbraw/zinc/45/47/14/564454714.db2.gz MDUURSFZSMIJCH-CQSZACIVSA-N 2 2 378.318 2.850 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000515615759 564483883 /nfs/dbraw/zinc/48/38/83/564483883.db2.gz OZMXBIUYBBAYHJ-GFCCVEGCSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000515615759 564483886 /nfs/dbraw/zinc/48/38/86/564483886.db2.gz OZMXBIUYBBAYHJ-GFCCVEGCSA-N 2 2 395.223 2.575 20 0 GFADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387852 564532695 /nfs/dbraw/zinc/53/26/95/564532695.db2.gz OPXCIZLQPRLTEZ-OAHLLOKOSA-N 2 2 388.339 2.957 20 0 GFADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000517387852 564532699 /nfs/dbraw/zinc/53/26/99/564532699.db2.gz OPXCIZLQPRLTEZ-OAHLLOKOSA-N 2 2 388.339 2.957 20 0 GFADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)COc1cc(F)cc(Br)c1 ZINC000571315477 564545515 /nfs/dbraw/zinc/54/55/15/564545515.db2.gz IMSXYVRQFVLHGD-HNNXBMFYSA-N 2 2 386.265 2.594 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631580 564547149 /nfs/dbraw/zinc/54/71/49/564547149.db2.gz SMEBDRMHJYGKSD-BXUZGUMPSA-N 2 2 375.847 2.932 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631580 564547152 /nfs/dbraw/zinc/54/71/52/564547152.db2.gz SMEBDRMHJYGKSD-BXUZGUMPSA-N 2 2 375.847 2.932 20 0 GFADLP CCn1nnc(C)c1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000573058884 564620582 /nfs/dbraw/zinc/62/05/82/564620582.db2.gz OXISXBYJLPDVCH-UHFFFAOYSA-N 2 2 377.290 2.657 20 0 GFADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)[NH+]1CCSCC1 ZINC000485592907 564621407 /nfs/dbraw/zinc/62/14/07/564621407.db2.gz PEVIMFHJXKTZKB-HZPDHXFCSA-N 2 2 381.973 2.983 20 0 GFADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000457676175 564669437 /nfs/dbraw/zinc/66/94/37/564669437.db2.gz BKPBHZXTDCXVER-UHFFFAOYSA-N 2 2 381.307 2.885 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cscc2Br)C1=O ZINC000552012672 564673289 /nfs/dbraw/zinc/67/32/89/564673289.db2.gz VMASHWBOZBLDTM-CYBMUJFWSA-N 2 2 383.315 2.525 20 0 GFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000527034222 564727422 /nfs/dbraw/zinc/72/74/22/564727422.db2.gz KGONHJBAEHUBQT-NSHDSACASA-N 2 2 391.324 2.968 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000553804247 564737836 /nfs/dbraw/zinc/73/78/36/564737836.db2.gz KXGBHOIILQJQST-CYBMUJFWSA-N 2 2 386.309 2.573 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000553804247 564737839 /nfs/dbraw/zinc/73/78/39/564737839.db2.gz KXGBHOIILQJQST-CYBMUJFWSA-N 2 2 386.309 2.573 20 0 GFADLP C[N@H+](CCn1cc(Cl)cn1)[C@H]1CCC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740968 /nfs/dbraw/zinc/74/09/68/564740968.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 2 2 385.343 2.873 20 0 GFADLP C[N@@H+](CCn1cc(Cl)cn1)[C@H]1CCC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740972 /nfs/dbraw/zinc/74/09/72/564740972.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 2 2 385.343 2.873 20 0 GFADLP C[NH+](CCn1cc(Cl)cn1)[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740976 /nfs/dbraw/zinc/74/09/76/564740976.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 2 2 385.343 2.873 20 0 GFADLP C[NH+](CCn1cc(Cl)cn1)[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740980 /nfs/dbraw/zinc/74/09/80/564740980.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 2 2 385.343 2.873 20 0 GFADLP Cn1c[nH+]c(CC[NH2+]Cc2c(F)ccc(I)c2F)c1 ZINC000459653243 564754643 /nfs/dbraw/zinc/75/46/43/564754643.db2.gz DHXPXPRMCPLWTC-UHFFFAOYSA-N 2 2 377.176 2.635 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494266703 564821105 /nfs/dbraw/zinc/82/11/05/564821105.db2.gz AGRJOQRBIOMVGD-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494266703 564821109 /nfs/dbraw/zinc/82/11/09/564821109.db2.gz AGRJOQRBIOMVGD-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309001 564840996 /nfs/dbraw/zinc/84/09/96/564840996.db2.gz HMGXCFOIISTREO-BBRMVZONSA-N 2 2 389.297 2.777 20 0 GFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309001 564841000 /nfs/dbraw/zinc/84/10/00/564841000.db2.gz HMGXCFOIISTREO-BBRMVZONSA-N 2 2 389.297 2.777 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043799 564918148 /nfs/dbraw/zinc/91/81/48/564918148.db2.gz QRWTZWMPQXGYSP-RHSMWYFYSA-N 2 2 386.323 2.707 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043799 564918150 /nfs/dbraw/zinc/91/81/50/564918150.db2.gz QRWTZWMPQXGYSP-RHSMWYFYSA-N 2 2 386.323 2.707 20 0 GFADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2n[nH]cc2Br)CC1 ZINC000532295732 564934358 /nfs/dbraw/zinc/93/43/58/564934358.db2.gz AMLLRCHSGBHQHO-UHFFFAOYSA-N 2 2 392.345 2.994 20 0 GFADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949389 564941236 /nfs/dbraw/zinc/94/12/36/564941236.db2.gz DDPLJYFBKKZWPH-QGZVFWFLSA-N 2 2 380.330 2.972 20 0 GFADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000499949389 564941238 /nfs/dbraw/zinc/94/12/38/564941238.db2.gz DDPLJYFBKKZWPH-QGZVFWFLSA-N 2 2 380.330 2.972 20 0 GFADLP C[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C[NH+]1CCOCC1 ZINC000534467401 564990069 /nfs/dbraw/zinc/99/00/69/564990069.db2.gz IJWQIFVZPLJOSM-ZDUSSCGKSA-N 2 2 384.311 2.632 20 0 GFADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288510 565056226 /nfs/dbraw/zinc/05/62/26/565056226.db2.gz FGRIFJBSYOGQEW-HOTGVXAUSA-N 2 2 386.309 2.969 20 0 GFADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(F)cc(Br)c1 ZINC000537288510 565056227 /nfs/dbraw/zinc/05/62/27/565056227.db2.gz FGRIFJBSYOGQEW-HOTGVXAUSA-N 2 2 386.309 2.969 20 0 GFADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622352 565076739 /nfs/dbraw/zinc/07/67/39/565076739.db2.gz PYQVSSMHJUQJSG-PBHICJAKSA-N 2 2 378.314 2.988 20 0 GFADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000684622352 565076741 /nfs/dbraw/zinc/07/67/41/565076741.db2.gz PYQVSSMHJUQJSG-PBHICJAKSA-N 2 2 378.314 2.988 20 0 GFADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584524452 565085274 /nfs/dbraw/zinc/08/52/74/565085274.db2.gz FWRPZQWXMHEZCH-AWEZNQCLSA-N 2 2 394.292 2.950 20 0 GFADLP O=C(NCCC[NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Br)c1 ZINC000657341510 565097658 /nfs/dbraw/zinc/09/76/58/565097658.db2.gz CMBMIJCSURDFCO-UHFFFAOYSA-N 2 2 377.286 2.502 20 0 GFADLP COc1nsc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)c1Br ZINC000638397060 565195785 /nfs/dbraw/zinc/19/57/85/565195785.db2.gz COQKHFDKCMUPGM-UHFFFAOYSA-N 2 2 398.330 2.673 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638446046 565197051 /nfs/dbraw/zinc/19/70/51/565197051.db2.gz UEKUFFQPYAVWJW-UHFFFAOYSA-N 2 2 398.345 2.521 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000659626289 565220881 /nfs/dbraw/zinc/22/08/81/565220881.db2.gz AEKSVCHYTFABKP-WBVHZDCISA-N 2 2 395.345 2.501 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(I)cc1)CCO2 ZINC000592183585 565262473 /nfs/dbraw/zinc/26/24/73/565262473.db2.gz UONAFAFOBODTTA-UHFFFAOYSA-N 2 2 386.277 2.588 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(I)cc1)CCO2 ZINC000592183585 565262476 /nfs/dbraw/zinc/26/24/76/565262476.db2.gz UONAFAFOBODTTA-UHFFFAOYSA-N 2 2 386.277 2.588 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662264950 565357472 /nfs/dbraw/zinc/35/74/72/565357472.db2.gz FNBFXPZQUJTHDR-ZDUSSCGKSA-N 2 2 392.297 2.592 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000662264950 565357474 /nfs/dbraw/zinc/35/74/74/565357474.db2.gz FNBFXPZQUJTHDR-ZDUSSCGKSA-N 2 2 392.297 2.592 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262233 565357882 /nfs/dbraw/zinc/35/78/82/565357882.db2.gz UJCYJJHVMZHGLN-ROUUACIJSA-N 2 2 382.346 2.506 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1Br ZINC000662404445 565366767 /nfs/dbraw/zinc/36/67/67/565366767.db2.gz FNOFJYSUJWKGBV-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1Br ZINC000662404445 565366773 /nfs/dbraw/zinc/36/67/73/565366773.db2.gz FNOFJYSUJWKGBV-INIZCTEOSA-N 2 2 394.338 2.685 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000662442443 565369226 /nfs/dbraw/zinc/36/92/26/565369226.db2.gz UWGJQCTWDFTIGX-SECBINFHSA-N 2 2 381.299 2.857 20 0 GFADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000594946608 565437064 /nfs/dbraw/zinc/43/70/64/565437064.db2.gz QLQUCBCHBLHDAY-NILFDRSVSA-N 2 2 380.286 2.735 20 0 GFADLP CC[NH+]1CCC(N2CCCN(c3nc(C)[nH+]c(C)c3Br)CC2)CC1 ZINC000664026755 565449411 /nfs/dbraw/zinc/44/94/11/565449411.db2.gz BTGKLXDHXXVILC-UHFFFAOYSA-N 2 2 396.377 2.852 20 0 GFADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000644569471 565482899 /nfs/dbraw/zinc/48/28/99/565482899.db2.gz RHODJGNRHCDBOB-JKSUJKDBSA-N 2 2 389.309 2.792 20 0 GFADLP COC(=O)[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000595895251 565496378 /nfs/dbraw/zinc/49/63/78/565496378.db2.gz GOSDRJITDQDNFD-YOEHRIQHSA-N 2 2 381.314 2.985 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000645193224 565515968 /nfs/dbraw/zinc/51/59/68/565515968.db2.gz IFILDZUYTUDSBR-CHWSQXEVSA-N 2 2 386.309 2.791 20 0 GFADLP CCC(F)(F)C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000624148039 565545614 /nfs/dbraw/zinc/54/56/14/565545614.db2.gz STGNZFXSFZYZPF-CQSZACIVSA-N 2 2 377.501 2.613 20 0 GFADLP FC(F)(F)c1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cs1 ZINC000624260429 565548983 /nfs/dbraw/zinc/54/89/83/565548983.db2.gz MYSDTBDXPALCMG-UHFFFAOYSA-N 2 2 377.476 2.653 20 0 GFADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cs1 ZINC000624260429 565548987 /nfs/dbraw/zinc/54/89/87/565548987.db2.gz MYSDTBDXPALCMG-UHFFFAOYSA-N 2 2 377.476 2.653 20 0 GFADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631579 /nfs/dbraw/zinc/63/15/79/565631579.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 2 378.314 2.730 20 0 GFADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631584 /nfs/dbraw/zinc/63/15/84/565631584.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631586 /nfs/dbraw/zinc/63/15/86/565631586.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 2 378.314 2.730 20 0 GFADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631590 /nfs/dbraw/zinc/63/15/90/565631590.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 2 378.314 2.730 20 0 GFADLP Cc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000625561048 565638751 /nfs/dbraw/zinc/63/87/51/565638751.db2.gz RNIGVBSHIYUWJS-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP Cc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000625561048 565638754 /nfs/dbraw/zinc/63/87/54/565638754.db2.gz RNIGVBSHIYUWJS-UHFFFAOYSA-N 2 2 396.373 2.784 20 0 GFADLP COC(=O)c1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)on1 ZINC000602611217 565857373 /nfs/dbraw/zinc/85/73/73/565857373.db2.gz DQAYXSVXECIMJC-UHFFFAOYSA-N 2 2 393.241 2.512 20 0 GFADLP CC[NH+](CC)CCN(CCOC)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000674250375 565865341 /nfs/dbraw/zinc/86/53/41/565865341.db2.gz TYWDTGCASQATTQ-UHFFFAOYSA-N 2 2 383.334 2.887 20 0 GFADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137748 565892136 /nfs/dbraw/zinc/89/21/36/565892136.db2.gz HYKPDMMQNXVRTM-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137748 565892141 /nfs/dbraw/zinc/89/21/41/565892141.db2.gz HYKPDMMQNXVRTM-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354538 565923553 /nfs/dbraw/zinc/92/35/53/565923553.db2.gz BOTOUCPRWMYCGV-XJKSGUPXSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354538 565923556 /nfs/dbraw/zinc/92/35/56/565923556.db2.gz BOTOUCPRWMYCGV-XJKSGUPXSA-N 2 2 389.359 2.672 20 0 GFADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631079114 565938024 /nfs/dbraw/zinc/93/80/24/565938024.db2.gz YVQSAWTYJQVGNP-HKUYNNGSSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1Br ZINC000631079114 565938028 /nfs/dbraw/zinc/93/80/28/565938028.db2.gz YVQSAWTYJQVGNP-HKUYNNGSSA-N 2 2 390.325 2.817 20 0 GFADLP COc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000655724415 566084728 /nfs/dbraw/zinc/08/47/28/566084728.db2.gz BRMVWWXSRMNGQJ-OAHLLOKOSA-N 2 2 399.329 2.809 20 0 GFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113019 566094648 /nfs/dbraw/zinc/09/46/48/566094648.db2.gz UXDSFQBVOBMMOY-NSHDSACASA-N 2 2 377.124 2.978 20 0 GFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000681113019 566094651 /nfs/dbraw/zinc/09/46/51/566094651.db2.gz UXDSFQBVOBMMOY-NSHDSACASA-N 2 2 377.124 2.978 20 0 GFADLP CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000735875166 598532876 /nfs/dbraw/zinc/53/28/76/598532876.db2.gz ZYPWZOKBRIXRHV-OAQYLSRUSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000735875166 598532878 /nfs/dbraw/zinc/53/28/78/598532878.db2.gz ZYPWZOKBRIXRHV-OAQYLSRUSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000735875166 598532880 /nfs/dbraw/zinc/53/28/80/598532880.db2.gz ZYPWZOKBRIXRHV-OAQYLSRUSA-N 2 2 394.523 2.570 20 0 GFADLP CC(C)[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000735875166 598532882 /nfs/dbraw/zinc/53/28/82/598532882.db2.gz ZYPWZOKBRIXRHV-OAQYLSRUSA-N 2 2 394.523 2.570 20 0 GFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860088 598562098 /nfs/dbraw/zinc/56/20/98/598562098.db2.gz LKUYIBHMBJIRTD-SFHVURJKSA-N 2 2 378.480 2.630 20 0 GFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000736860088 598562100 /nfs/dbraw/zinc/56/21/00/598562100.db2.gz LKUYIBHMBJIRTD-SFHVURJKSA-N 2 2 378.480 2.630 20 0 GFADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[NH+]3Cc4ccccc4C3)c2c1 ZINC000822196323 599500567 /nfs/dbraw/zinc/50/05/67/599500567.db2.gz FAENGBDPSRFQCP-UHFFFAOYSA-N 2 2 385.475 2.881 20 0 GFADLP Cc1ccc([C@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[NH+]2CCCC2)o1 ZINC000822230667 599517355 /nfs/dbraw/zinc/51/73/55/599517355.db2.gz NAZICHKWYKXTNC-SFHVURJKSA-N 2 2 389.463 2.987 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826182440 607526271 /nfs/dbraw/zinc/52/62/71/607526271.db2.gz JSVPHWSFONIIQA-QGZVFWFLSA-N 2 2 384.528 2.963 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826182440 607526272 /nfs/dbraw/zinc/52/62/72/607526272.db2.gz JSVPHWSFONIIQA-QGZVFWFLSA-N 2 2 384.528 2.963 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826182262 607615844 /nfs/dbraw/zinc/61/58/44/607615844.db2.gz FVYBCAYHNYDPMI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826182262 607615846 /nfs/dbraw/zinc/61/58/46/607615846.db2.gz FVYBCAYHNYDPMI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826182262 607615848 /nfs/dbraw/zinc/61/58/48/607615848.db2.gz FVYBCAYHNYDPMI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826182262 607615850 /nfs/dbraw/zinc/61/58/50/607615850.db2.gz FVYBCAYHNYDPMI-IRXDYDNUSA-N 2 2 384.528 2.962 20 0 GFADLP C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610746 606977060 /nfs/dbraw/zinc/97/70/60/606977060.db2.gz CWIKPVMVICMURS-GOSISDBHSA-N 2 2 380.471 2.960 20 0 GFADLP C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610746 606977061 /nfs/dbraw/zinc/97/70/61/606977061.db2.gz CWIKPVMVICMURS-GOSISDBHSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821610746 606977063 /nfs/dbraw/zinc/97/70/63/606977063.db2.gz CWIKPVMVICMURS-GOSISDBHSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821610746 606977065 /nfs/dbraw/zinc/97/70/65/606977065.db2.gz CWIKPVMVICMURS-GOSISDBHSA-N 2 2 380.471 2.960 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000821589602 607059500 /nfs/dbraw/zinc/05/95/00/607059500.db2.gz VNWUCKWTHWRRSJ-UHFFFAOYSA-N 2 2 395.486 2.830 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@@H](C)C1 ZINC000825594981 609144889 /nfs/dbraw/zinc/14/48/89/609144889.db2.gz SOMJEAZPDKQUOY-KHYOSLBOSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@@H](C)C1 ZINC000825594981 609144890 /nfs/dbraw/zinc/14/48/90/609144890.db2.gz SOMJEAZPDKQUOY-KHYOSLBOSA-N 2 2 390.507 2.793 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824655878 609251719 /nfs/dbraw/zinc/25/17/19/609251719.db2.gz GJEJZUICOIHDES-BBRMVZONSA-N 2 2 396.474 2.714 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656564 660204672 /nfs/dbraw/zinc/20/46/72/660204672.db2.gz KQEVLNJDLYHYFZ-QGZVFWFLSA-N 2 2 376.372 2.979 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000817656564 660204674 /nfs/dbraw/zinc/20/46/74/660204674.db2.gz KQEVLNJDLYHYFZ-QGZVFWFLSA-N 2 2 376.372 2.979 20 0 GFADLP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[NH+](Cc3cccs3)CC2)cc(Cl)n1 ZINC000825930683 660445804 /nfs/dbraw/zinc/44/58/04/660445804.db2.gz XDMZRAQGGWBTKG-INIZCTEOSA-N 2 2 378.929 2.839 20 0 GFADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000270236287 655038354 /nfs/dbraw/zinc/03/83/54/655038354.db2.gz RLPQOHRBEKIAMD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000270236287 655038357 /nfs/dbraw/zinc/03/83/57/655038357.db2.gz RLPQOHRBEKIAMD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1Br ZINC000105204019 655089549 /nfs/dbraw/zinc/08/95/49/655089549.db2.gz OPNYARCJXZGASE-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1Br ZINC000105204019 655089551 /nfs/dbraw/zinc/08/95/51/655089551.db2.gz OPNYARCJXZGASE-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP C[N@H+]1CC=C(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000271993185 655100401 /nfs/dbraw/zinc/10/04/01/655100401.db2.gz QDUDGHHKFATWEU-GOSISDBHSA-N 2 2 392.341 2.964 20 0 GFADLP C[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000271993185 655100404 /nfs/dbraw/zinc/10/04/04/655100404.db2.gz QDUDGHHKFATWEU-GOSISDBHSA-N 2 2 392.341 2.964 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000109789839 655152139 /nfs/dbraw/zinc/15/21/39/655152139.db2.gz IOIGOGCPHWYHDF-UHFFFAOYSA-N 2 2 394.357 2.825 20 0 GFADLP Brc1ccsc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261867632 655442841 /nfs/dbraw/zinc/44/28/41/655442841.db2.gz ZFJCVWONSQNVPW-UHFFFAOYSA-N 2 2 382.331 2.585 20 0 GFADLP CN(C(=O)/C=C/c1ccc(Br)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564144 655598052 /nfs/dbraw/zinc/59/80/52/655598052.db2.gz OZHSBHXZLLRIRL-CSPWOOARSA-N 2 2 396.329 2.682 20 0 GFADLP CN(C(=O)/C=C/c1ccc(Br)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564144 655598053 /nfs/dbraw/zinc/59/80/53/655598053.db2.gz OZHSBHXZLLRIRL-CSPWOOARSA-N 2 2 396.329 2.682 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cc(I)cn1 ZINC000762078423 656030526 /nfs/dbraw/zinc/03/05/26/656030526.db2.gz YKRZYEPMRLFFQC-UHFFFAOYSA-N 2 2 387.269 2.616 20 0 GFADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cc(I)cn1 ZINC000762078423 656030529 /nfs/dbraw/zinc/03/05/29/656030529.db2.gz YKRZYEPMRLFFQC-UHFFFAOYSA-N 2 2 387.269 2.616 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911136 658329969 /nfs/dbraw/zinc/32/99/69/658329969.db2.gz QGRHLGQUYDARKT-NUJGCVRESA-N 2 2 384.351 2.921 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccccc1 ZINC000792911136 658329981 /nfs/dbraw/zinc/32/99/81/658329981.db2.gz QGRHLGQUYDARKT-NUJGCVRESA-N 2 2 384.351 2.921 20 0 GFADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(Br)n3)CC2)CC1 ZINC000794487217 658551266 /nfs/dbraw/zinc/55/12/66/658551266.db2.gz HXQHLHCENLTKNW-UHFFFAOYSA-N 2 2 381.362 2.694 20 0 GFADLP C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415517 661991445 /nfs/dbraw/zinc/99/14/45/661991445.db2.gz XYLNXDWLFLLTCV-CQSZACIVSA-N 2 2 380.583 2.777 20 0 GFADLP C[C@@H](Sc1nc2ccccc2s1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415517 661991449 /nfs/dbraw/zinc/99/14/49/661991449.db2.gz XYLNXDWLFLLTCV-CQSZACIVSA-N 2 2 380.583 2.777 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411701 662471314 /nfs/dbraw/zinc/47/13/14/662471314.db2.gz UEJDCAQYJASVHH-CJNGLKHVSA-N 2 2 398.345 2.601 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411701 662471317 /nfs/dbraw/zinc/47/13/17/662471317.db2.gz UEJDCAQYJASVHH-CJNGLKHVSA-N 2 2 398.345 2.601 20 0 GFADLP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000873209920 662803968 /nfs/dbraw/zinc/80/39/68/662803968.db2.gz WBCYJBUXMSQVLK-INIZCTEOSA-N 2 2 394.338 2.815 20 0 GFADLP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000873209920 662803969 /nfs/dbraw/zinc/80/39/69/662803969.db2.gz WBCYJBUXMSQVLK-INIZCTEOSA-N 2 2 394.338 2.815 20 0 GFADLP O[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(Br)no1 ZINC000880569917 662962524 /nfs/dbraw/zinc/96/25/24/662962524.db2.gz LKIZRCIVNBATGW-KBPBESRZSA-N 2 2 377.242 2.698 20 0 GFADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C(F)(F)F ZINC000893099461 663396645 /nfs/dbraw/zinc/39/66/45/663396645.db2.gz YZURSBSMDJDREJ-NHIYQJMISA-N 2 2 382.492 2.924 20 0 GFADLP CC(C)CC[NH+]1CCC([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897978388 663628396 /nfs/dbraw/zinc/62/83/96/663628396.db2.gz OJASIILDXBOHDH-INIZCTEOSA-N 2 2 395.345 2.807 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(Cl)c2OCC(F)F)CC1 ZINC000926120082 664682201 /nfs/dbraw/zinc/68/22/01/664682201.db2.gz AHQJNPNNINZUGT-UHFFFAOYSA-N 2 2 376.835 2.529 20 0 GFADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C)c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164824817 720365858 /nfs/dbraw/zinc/36/58/58/720365858.db2.gz MUSZVSIKMSYPDI-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C)c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164824817 720365866 /nfs/dbraw/zinc/36/58/66/720365866.db2.gz MUSZVSIKMSYPDI-UHFFFAOYSA-N 2 2 399.564 2.777 20 0 GFADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CCC(=O)N4c3ccccc3)[nH+]2)CC1 ZINC001164844514 720765231 /nfs/dbraw/zinc/76/52/31/720765231.db2.gz CFPPHSFMOPVLFJ-PMACEKPBSA-N 2 2 391.519 2.608 20 0 GFADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164870310 721274742 /nfs/dbraw/zinc/27/47/42/721274742.db2.gz VOYXSXIZLPGZCQ-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164870310 721274749 /nfs/dbraw/zinc/27/47/49/721274749.db2.gz VOYXSXIZLPGZCQ-UHFFFAOYSA-N 2 2 396.535 2.550 20 0 GFADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164958092 722051989 /nfs/dbraw/zinc/05/19/89/722051989.db2.gz BZLOTBCEJSRQGN-UHFFFAOYSA-N 2 2 394.523 2.565 20 0 GFADLP c1cc(C[N@H+]2CCOCC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164958092 722051990 /nfs/dbraw/zinc/05/19/90/722051990.db2.gz BZLOTBCEJSRQGN-UHFFFAOYSA-N 2 2 394.523 2.565 20 0 GFADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983324 722147294 /nfs/dbraw/zinc/14/72/94/722147294.db2.gz UDKRMKKRCCUUIB-UXHICEINSA-N 2 2 379.508 2.785 20 0 GFADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001164983324 722147298 /nfs/dbraw/zinc/14/72/98/722147298.db2.gz UDKRMKKRCCUUIB-UXHICEINSA-N 2 2 379.508 2.785 20 0 GFADLP C[C@@H]1SCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645184 551206779 /nfs/dbraw/zinc/20/67/79/551206779.db2.gz CZQKMANRVFHAKB-HOTGVXAUSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@@H]1SCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645184 551206782 /nfs/dbraw/zinc/20/67/82/551206782.db2.gz CZQKMANRVFHAKB-HOTGVXAUSA-N 2 2 379.595 3.000 20 0 GFADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000124439747 551314805 /nfs/dbraw/zinc/31/48/05/551314805.db2.gz GYYVYLSMMIMPTO-QBIMZIAESA-N 2 2 385.936 2.778 20 0 GFADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000124439747 551314806 /nfs/dbraw/zinc/31/48/06/551314806.db2.gz GYYVYLSMMIMPTO-QBIMZIAESA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000124439747 551314807 /nfs/dbraw/zinc/31/48/07/551314807.db2.gz GYYVYLSMMIMPTO-QBIMZIAESA-N 2 2 385.936 2.778 20 0 GFADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000124439747 551314808 /nfs/dbraw/zinc/31/48/08/551314808.db2.gz GYYVYLSMMIMPTO-QBIMZIAESA-N 2 2 385.936 2.778 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152466919 551433828 /nfs/dbraw/zinc/43/38/28/551433828.db2.gz VOXXDAXHBMGYKV-OAHLLOKOSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152466919 551433831 /nfs/dbraw/zinc/43/38/31/551433831.db2.gz VOXXDAXHBMGYKV-OAHLLOKOSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152466919 551433833 /nfs/dbraw/zinc/43/38/33/551433833.db2.gz VOXXDAXHBMGYKV-OAHLLOKOSA-N 2 2 382.346 2.681 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152466919 551433834 /nfs/dbraw/zinc/43/38/34/551433834.db2.gz VOXXDAXHBMGYKV-OAHLLOKOSA-N 2 2 382.346 2.681 20 0 GFADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168261220 551634304 /nfs/dbraw/zinc/63/43/04/551634304.db2.gz HKNWHIYRBBOLLC-CQSZACIVSA-N 2 2 398.345 2.867 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000171668065 551660867 /nfs/dbraw/zinc/66/08/67/551660867.db2.gz GEGJUICVZJIJBG-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Br)c1 ZINC000171668065 551660869 /nfs/dbraw/zinc/66/08/69/551660869.db2.gz GEGJUICVZJIJBG-UHFFFAOYSA-N 2 2 397.361 2.617 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000178232924 552167430 /nfs/dbraw/zinc/16/74/30/552167430.db2.gz BNFBGEUBAWTVGX-CQSZACIVSA-N 2 2 378.318 2.683 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181107884 552246907 /nfs/dbraw/zinc/24/69/07/552246907.db2.gz WVOOKJDRGPLJTN-UHFFFAOYSA-N 2 2 385.331 2.688 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181107884 552246909 /nfs/dbraw/zinc/24/69/09/552246909.db2.gz WVOOKJDRGPLJTN-UHFFFAOYSA-N 2 2 385.331 2.688 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115557 563234151 /nfs/dbraw/zinc/23/41/51/563234151.db2.gz XZYUZOKYJLQTFW-CRAIPNDOSA-N 2 2 382.346 2.506 20 0 GFADLP CN(C(=O)Cc1cccc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370847284 563257530 /nfs/dbraw/zinc/25/75/30/563257530.db2.gz ZEAMQLPDXIRUBV-GOSISDBHSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1cccc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370847284 563257533 /nfs/dbraw/zinc/25/75/33/563257533.db2.gz ZEAMQLPDXIRUBV-GOSISDBHSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370290 563262968 /nfs/dbraw/zinc/26/29/68/563262968.db2.gz LGAFWKZDLKSCCU-BEFAXECRSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370290 563262969 /nfs/dbraw/zinc/26/29/69/563262969.db2.gz LGAFWKZDLKSCCU-BEFAXECRSA-N 2 2 394.357 2.872 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299414 563271794 /nfs/dbraw/zinc/27/17/94/563271794.db2.gz GPVAQOQBIDSMJK-NUEKZKHPSA-N 2 2 385.961 2.543 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299414 563271795 /nfs/dbraw/zinc/27/17/95/563271795.db2.gz GPVAQOQBIDSMJK-NUEKZKHPSA-N 2 2 385.961 2.543 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423188856 563358426 /nfs/dbraw/zinc/35/84/26/563358426.db2.gz QQVJGXMGFNHKDK-KXBFYZLASA-N 2 2 396.373 2.770 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000424375548 563377272 /nfs/dbraw/zinc/37/72/72/563377272.db2.gz KJFPFWNHOPFMSC-IINYFYTJSA-N 2 2 394.684 2.801 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374625501 563378165 /nfs/dbraw/zinc/37/81/65/563378165.db2.gz BPOYSBSRNHHSHM-UHFFFAOYSA-N 2 2 394.357 2.968 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374625501 563378167 /nfs/dbraw/zinc/37/81/67/563378167.db2.gz BPOYSBSRNHHSHM-UHFFFAOYSA-N 2 2 394.357 2.968 20 0 GFADLP Clc1cccc(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1Cl ZINC000375338566 563400666 /nfs/dbraw/zinc/40/06/66/563400666.db2.gz YNMXIQFWWNMSAT-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP Clc1cccc(CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c1Cl ZINC000375338566 563400673 /nfs/dbraw/zinc/40/06/73/563400673.db2.gz YNMXIQFWWNMSAT-UHFFFAOYSA-N 2 2 386.367 2.876 20 0 GFADLP Cn1cc(Br)c(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000432774812 563592940 /nfs/dbraw/zinc/59/29/40/563592940.db2.gz FFBVWNJMADFVJY-UHFFFAOYSA-N 2 2 378.318 2.926 20 0 GFADLP Cn1cc(Br)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000432774812 563592946 /nfs/dbraw/zinc/59/29/46/563592946.db2.gz FFBVWNJMADFVJY-UHFFFAOYSA-N 2 2 378.318 2.926 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Br)ccc3F)CC2)CC1 ZINC000289829165 563687830 /nfs/dbraw/zinc/68/78/30/563687830.db2.gz OOBPBSZPCUEHEH-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CC[N@H+](C)C1 ZINC000413502041 563695567 /nfs/dbraw/zinc/69/55/67/563695567.db2.gz PTIZMIVAOAZDFE-NSHDSACASA-N 2 2 396.260 2.677 20 0 GFADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CC[N@@H+](C)C1 ZINC000413502041 563695570 /nfs/dbraw/zinc/69/55/70/563695570.db2.gz PTIZMIVAOAZDFE-NSHDSACASA-N 2 2 396.260 2.677 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000439420452 563723737 /nfs/dbraw/zinc/72/37/37/563723737.db2.gz IZDSFHJNQCBDIN-MRXNPFEDSA-N 2 2 398.276 2.862 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135263 563760463 /nfs/dbraw/zinc/76/04/63/563760463.db2.gz FUPCVZGXAZESHX-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415135263 563760464 /nfs/dbraw/zinc/76/04/64/563760464.db2.gz FUPCVZGXAZESHX-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060656 563790205 /nfs/dbraw/zinc/79/02/05/563790205.db2.gz PLPWGABATPLYTO-SNVBAGLBSA-N 2 2 376.245 2.727 20 0 GFADLP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060656 563790206 /nfs/dbraw/zinc/79/02/06/563790206.db2.gz PLPWGABATPLYTO-SNVBAGLBSA-N 2 2 376.245 2.727 20 0 GFADLP O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444704366 563835975 /nfs/dbraw/zinc/83/59/75/563835975.db2.gz KZKMLOUXMIACDQ-AWEZNQCLSA-N 2 2 375.460 2.667 20 0 GFADLP O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444704366 563835979 /nfs/dbraw/zinc/83/59/79/563835979.db2.gz KZKMLOUXMIACDQ-AWEZNQCLSA-N 2 2 375.460 2.667 20 0 GFADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367622789 563850620 /nfs/dbraw/zinc/85/06/20/563850620.db2.gz KAEFYGXJNORSEG-KRWDZBQOSA-N 2 2 396.373 2.787 20 0 GFADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367622789 563850622 /nfs/dbraw/zinc/85/06/22/563850622.db2.gz KAEFYGXJNORSEG-KRWDZBQOSA-N 2 2 396.373 2.787 20 0 GFADLP Cc1c(Br)scc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368431889 563870721 /nfs/dbraw/zinc/87/07/21/563870721.db2.gz CELJHBNSOWETQX-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1c(Br)scc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368431889 563870722 /nfs/dbraw/zinc/87/07/22/563870722.db2.gz CELJHBNSOWETQX-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000449173957 563907707 /nfs/dbraw/zinc/90/77/07/563907707.db2.gz OPMOMWONBMEUFE-DVOMOZLQSA-N 2 2 398.345 2.535 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000449173957 563907708 /nfs/dbraw/zinc/90/77/08/563907708.db2.gz OPMOMWONBMEUFE-DVOMOZLQSA-N 2 2 398.345 2.535 20 0 GFADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305959 564185204 /nfs/dbraw/zinc/18/52/04/564185204.db2.gz HZPJHIHATQCBFQ-BFQNTYOBSA-N 2 2 378.460 2.927 20 0 GFADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000563305967 564185350 /nfs/dbraw/zinc/18/53/50/564185350.db2.gz HZPJHIHATQCBFQ-XHBSWPGZSA-N 2 2 378.460 2.927 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855987 564252391 /nfs/dbraw/zinc/25/23/91/564252391.db2.gz JHOZEQCCFRYCCN-MBNYWOFBSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(Br)c2Cl)C[C@H](C)O1 ZINC000564855987 564252395 /nfs/dbraw/zinc/25/23/95/564252395.db2.gz JHOZEQCCFRYCCN-MBNYWOFBSA-N 2 2 391.737 2.662 20 0 GFADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564949468 564259074 /nfs/dbraw/zinc/25/90/74/564259074.db2.gz MUMJOSVNNGWHOQ-WMZOPIPTSA-N 2 2 380.330 2.783 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425810 564326850 /nfs/dbraw/zinc/32/68/50/564326850.db2.gz YWWOHRHTTBTIGE-RDJZCZTQSA-N 2 2 385.346 2.601 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000566425810 564326853 /nfs/dbraw/zinc/32/68/53/564326853.db2.gz YWWOHRHTTBTIGE-RDJZCZTQSA-N 2 2 385.346 2.601 20 0 GFADLP O=S1(=O)CCc2cc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)ccc21 ZINC000542811934 564328080 /nfs/dbraw/zinc/32/80/80/564328080.db2.gz XRQHMWBEYSCHEJ-UHFFFAOYSA-N 2 2 376.444 2.523 20 0 GFADLP Cn1cc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510872684 564348456 /nfs/dbraw/zinc/34/84/56/564348456.db2.gz AJEUHJCXSGZEIQ-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP Cn1cc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510872684 564348460 /nfs/dbraw/zinc/34/84/60/564348460.db2.gz AJEUHJCXSGZEIQ-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232080 564362806 /nfs/dbraw/zinc/36/28/06/564362806.db2.gz ANBHWNJBNIYZGV-OWQGQXMQSA-N 2 2 385.936 2.826 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567232080 564362808 /nfs/dbraw/zinc/36/28/08/564362808.db2.gz ANBHWNJBNIYZGV-OWQGQXMQSA-N 2 2 385.936 2.826 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000567685023 564383466 /nfs/dbraw/zinc/38/34/66/564383466.db2.gz UDKLJOYXXKFPNY-DIOULYMOSA-N 2 2 387.293 2.543 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000567685023 564383469 /nfs/dbraw/zinc/38/34/69/564383469.db2.gz UDKLJOYXXKFPNY-DIOULYMOSA-N 2 2 387.293 2.543 20 0 GFADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615359 564426683 /nfs/dbraw/zinc/42/66/83/564426683.db2.gz LHMVQMKPXLZECR-YOEHRIQHSA-N 2 2 390.329 2.946 20 0 GFADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615359 564426685 /nfs/dbraw/zinc/42/66/85/564426685.db2.gz LHMVQMKPXLZECR-YOEHRIQHSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615359 564426688 /nfs/dbraw/zinc/42/66/88/564426688.db2.gz LHMVQMKPXLZECR-YOEHRIQHSA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615359 564426691 /nfs/dbraw/zinc/42/66/91/564426691.db2.gz LHMVQMKPXLZECR-YOEHRIQHSA-N 2 2 390.329 2.946 20 0 GFADLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000568750837 564433149 /nfs/dbraw/zinc/43/31/49/564433149.db2.gz LXJDXQOJIKHIQH-UHFFFAOYSA-N 2 2 389.359 2.685 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000513646692 564435870 /nfs/dbraw/zinc/43/58/70/564435870.db2.gz BAFMISHUOWEQDX-UHFFFAOYSA-N 2 2 394.357 2.825 20 0 GFADLP [NH3+]CC1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000568998872 564444649 /nfs/dbraw/zinc/44/46/49/564444649.db2.gz ITBBIWOCIFKDNF-KRWDZBQOSA-N 2 2 380.330 2.783 20 0 GFADLP C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000569218591 564453447 /nfs/dbraw/zinc/45/34/47/564453447.db2.gz ABRYDKXUKSYHQD-COXVUDFISA-N 2 2 380.330 2.782 20 0 GFADLP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000569218592 564453567 /nfs/dbraw/zinc/45/35/67/564453567.db2.gz ABRYDKXUKSYHQD-KBRIMQKVSA-N 2 2 380.330 2.782 20 0 GFADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000571441866 564551987 /nfs/dbraw/zinc/55/19/87/564551987.db2.gz OIUFBRDXICQCEG-JQFCIGGWSA-N 2 2 380.330 2.843 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571797577 564567109 /nfs/dbraw/zinc/56/71/09/564567109.db2.gz XGLJQYUFKVOEIO-NUJGCVRESA-N 2 2 392.341 2.654 20 0 GFADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccccc1I ZINC000484147528 564582512 /nfs/dbraw/zinc/58/25/12/564582512.db2.gz SFGDABASKPZZIY-UONOGXRCSA-N 2 2 388.293 2.910 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587796 564620312 /nfs/dbraw/zinc/62/03/12/564620312.db2.gz AFUBGWSZOGYDGT-MAUKXSAKSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000485587796 564620314 /nfs/dbraw/zinc/62/03/14/564620314.db2.gz AFUBGWSZOGYDGT-MAUKXSAKSA-N 2 2 381.973 2.983 20 0 GFADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(O)c2Br)nc[nH+]1 ZINC000459406566 564743915 /nfs/dbraw/zinc/74/39/15/564743915.db2.gz UKGGJMUWOWUNDM-CYBMUJFWSA-N 2 2 392.301 2.745 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680270 564837455 /nfs/dbraw/zinc/83/74/55/564837455.db2.gz MYDXNGITEWBAPS-RDTXWAMCSA-N 2 2 394.357 2.870 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000494680270 564837458 /nfs/dbraw/zinc/83/74/58/564837458.db2.gz MYDXNGITEWBAPS-RDTXWAMCSA-N 2 2 394.357 2.870 20 0 GFADLP Brc1ccc2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2c1 ZINC000530248292 564873097 /nfs/dbraw/zinc/87/30/97/564873097.db2.gz IFRQXXSEMNSJMH-QGZVFWFLSA-N 2 2 393.329 2.687 20 0 GFADLP Cc1c(Br)cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000560083134 564949171 /nfs/dbraw/zinc/94/91/71/564949171.db2.gz RGPRIJPUVLAYGU-CQSZACIVSA-N 2 2 394.151 2.922 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467743430 564971190 /nfs/dbraw/zinc/97/11/90/564971190.db2.gz PJGCDLIICSMBGQ-NSHDSACASA-N 2 2 378.464 2.755 20 0 GFADLP C[NH+](C)CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561048071 564982599 /nfs/dbraw/zinc/98/25/99/564982599.db2.gz HLYXYCXYRHSLTH-UHFFFAOYSA-N 2 2 397.317 2.999 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312526 565010524 /nfs/dbraw/zinc/01/05/24/565010524.db2.gz GQYXUULAUUPDLN-GFCCVEGCSA-N 2 2 378.270 2.943 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000535312526 565010526 /nfs/dbraw/zinc/01/05/26/565010526.db2.gz GQYXUULAUUPDLN-GFCCVEGCSA-N 2 2 378.270 2.943 20 0 GFADLP CC(=O)NCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(Br)s1 ZINC000503271244 565017020 /nfs/dbraw/zinc/01/70/20/565017020.db2.gz UXJZVRIHGRHLFD-UHFFFAOYSA-N 2 2 385.331 2.654 20 0 GFADLP CC(=O)NCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(Br)s1 ZINC000503271244 565017023 /nfs/dbraw/zinc/01/70/23/565017023.db2.gz UXJZVRIHGRHLFD-UHFFFAOYSA-N 2 2 385.331 2.654 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790983 565043399 /nfs/dbraw/zinc/04/33/99/565043399.db2.gz CCRGCMBNXJHVIL-IRXDYDNUSA-N 2 2 395.345 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000562790983 565043401 /nfs/dbraw/zinc/04/34/01/565043401.db2.gz CCRGCMBNXJHVIL-IRXDYDNUSA-N 2 2 395.345 2.575 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cnc12 ZINC000657753135 565126231 /nfs/dbraw/zinc/12/62/31/565126231.db2.gz ULLDABPDZVPOJU-MRXNPFEDSA-N 2 2 393.329 2.748 20 0 GFADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000638977452 565219798 /nfs/dbraw/zinc/21/97/98/565219798.db2.gz SINYSTUNWDFELV-KRWDZBQOSA-N 2 2 385.346 2.698 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000617765075 565258304 /nfs/dbraw/zinc/25/83/04/565258304.db2.gz SJGRGVHLMNAVIZ-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(Br)c(Cl)c1 ZINC000617765075 565258311 /nfs/dbraw/zinc/25/83/11/565258311.db2.gz SJGRGVHLMNAVIZ-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000592426248 565275327 /nfs/dbraw/zinc/27/53/27/565275327.db2.gz HCKYVMOQKFTPCT-CQSZACIVSA-N 2 2 399.329 2.870 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000592426248 565275329 /nfs/dbraw/zinc/27/53/29/565275329.db2.gz HCKYVMOQKFTPCT-CQSZACIVSA-N 2 2 399.329 2.870 20 0 GFADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291555 565358814 /nfs/dbraw/zinc/35/88/14/565358814.db2.gz IBAALLXRPFBUMO-DOTOQJQBSA-N 2 2 380.330 2.687 20 0 GFADLP C[NH2+][C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367781 565362695 /nfs/dbraw/zinc/36/26/95/565362695.db2.gz GLKFNYFDMYMUJC-XNJGSVPQSA-N 2 2 388.339 2.869 20 0 GFADLP Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000641773353 565398434 /nfs/dbraw/zinc/39/84/34/565398434.db2.gz HNGCMYVBLBRGDY-CQSZACIVSA-N 2 2 382.346 2.961 20 0 GFADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303885 565411651 /nfs/dbraw/zinc/41/16/51/565411651.db2.gz KZJIFGPGNIIXDG-DYVFJYSZSA-N 2 2 396.329 2.619 20 0 GFADLP CC[NH+]1CCN(CCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000663399137 565417573 /nfs/dbraw/zinc/41/75/73/565417573.db2.gz RWQANZIKWOBAEY-UHFFFAOYSA-N 2 2 381.293 2.608 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1Br ZINC000623471030 565513625 /nfs/dbraw/zinc/51/36/25/565513625.db2.gz LRMOZBRWQLZYDG-CQSZACIVSA-N 2 2 394.151 2.922 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000666896050 565562683 /nfs/dbraw/zinc/56/26/83/565562683.db2.gz HDHXPMSAVNURHH-UHFFFAOYSA-N 2 2 397.361 2.943 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000666896050 565562686 /nfs/dbraw/zinc/56/26/86/565562686.db2.gz HDHXPMSAVNURHH-UHFFFAOYSA-N 2 2 397.361 2.943 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666945559 565563490 /nfs/dbraw/zinc/56/34/90/565563490.db2.gz XQRCFYIDUHBPCW-GJZGRUSLSA-N 2 2 375.282 2.654 20 0 GFADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646709142 565614743 /nfs/dbraw/zinc/61/47/43/565614743.db2.gz SBIYVKXYVIXHFH-PBHICJAKSA-N 2 2 380.330 2.654 20 0 GFADLP Cc1sc(NC(=O)C[N@H+](C)CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000629576544 565860244 /nfs/dbraw/zinc/86/02/44/565860244.db2.gz AFNOZAZWRHXDHK-UHFFFAOYSA-N 2 2 382.917 2.618 20 0 GFADLP Cc1sc(NC(=O)C[N@@H+](C)CCOCC[NH3+])nc1-c1ccc(Cl)cc1 ZINC000629576544 565860246 /nfs/dbraw/zinc/86/02/46/565860246.db2.gz AFNOZAZWRHXDHK-UHFFFAOYSA-N 2 2 382.917 2.618 20 0 GFADLP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354537 565923488 /nfs/dbraw/zinc/92/34/88/565923488.db2.gz BOTOUCPRWMYCGV-CZUORRHYSA-N 2 2 389.359 2.672 20 0 GFADLP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354537 565923494 /nfs/dbraw/zinc/92/34/94/565923494.db2.gz BOTOUCPRWMYCGV-CZUORRHYSA-N 2 2 389.359 2.672 20 0 GFADLP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)[C@H]21 ZINC000631663975 565966089 /nfs/dbraw/zinc/96/60/89/565966089.db2.gz ITBKDPKYRBVPIW-HQJJXPTPSA-N 2 2 377.326 2.930 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)[nH+]cc1Br ZINC000653653628 565976516 /nfs/dbraw/zinc/97/65/16/565976516.db2.gz ZMZUFYBGLPEXHC-GFCCVEGCSA-N 2 2 382.306 2.516 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)[nH+]cc1Br ZINC000653653628 565976520 /nfs/dbraw/zinc/97/65/20/565976520.db2.gz ZMZUFYBGLPEXHC-GFCCVEGCSA-N 2 2 382.306 2.516 20 0 GFADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366735 565983685 /nfs/dbraw/zinc/98/36/85/565983685.db2.gz RWFJQUQALSZCPL-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366735 565983692 /nfs/dbraw/zinc/98/36/92/565983692.db2.gz RWFJQUQALSZCPL-GOSISDBHSA-N 2 2 376.298 2.571 20 0 GFADLP Brc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655761777 566087129 /nfs/dbraw/zinc/08/71/29/566087129.db2.gz PGXBESATWRXCOH-IEBWSBKVSA-N 2 2 394.357 2.871 20 0 GFADLP Cc1cccc2c(NCC[N@@H+]3CCc4ccccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410898 599268392 /nfs/dbraw/zinc/26/83/92/599268392.db2.gz VOHHOZIJGCIUEL-UHFFFAOYSA-N 2 2 385.475 2.615 20 0 GFADLP Cc1cccc2c(NCC[N@H+]3CCc4ccccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410898 599268395 /nfs/dbraw/zinc/26/83/95/599268395.db2.gz VOHHOZIJGCIUEL-UHFFFAOYSA-N 2 2 385.475 2.615 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000738432612 599274804 /nfs/dbraw/zinc/27/48/04/599274804.db2.gz JXMVEKIABALHHC-QGZVFWFLSA-N 2 2 385.475 2.913 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@@H](Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000738432612 599274806 /nfs/dbraw/zinc/27/48/06/599274806.db2.gz JXMVEKIABALHHC-QGZVFWFLSA-N 2 2 385.475 2.913 20 0 GFADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821589359 599452327 /nfs/dbraw/zinc/45/23/27/599452327.db2.gz KMZSRYQCMHYANP-UHFFFAOYSA-N 2 2 377.496 2.691 20 0 GFADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821629011 599462810 /nfs/dbraw/zinc/46/28/10/599462810.db2.gz WRQUFKPIIBWNCV-UHFFFAOYSA-N 2 2 397.914 2.562 20 0 GFADLP COc1ccc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1-c1nn[nH]n1 ZINC000821803180 599464116 /nfs/dbraw/zinc/46/41/16/599464116.db2.gz CZMDDVZOINDTBX-CQSZACIVSA-N 2 2 375.436 2.912 20 0 GFADLP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524884 607479449 /nfs/dbraw/zinc/47/94/49/607479449.db2.gz NWZIAQJDWXKXJE-CRAIPNDOSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524884 607479450 /nfs/dbraw/zinc/47/94/50/607479450.db2.gz NWZIAQJDWXKXJE-CRAIPNDOSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524884 607479452 /nfs/dbraw/zinc/47/94/52/607479452.db2.gz NWZIAQJDWXKXJE-CRAIPNDOSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524884 607479454 /nfs/dbraw/zinc/47/94/54/607479454.db2.gz NWZIAQJDWXKXJE-CRAIPNDOSA-N 2 2 377.496 2.568 20 0 GFADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncccc3-c3nn[nH]n3)cc2)CC1 ZINC000821583028 606432261 /nfs/dbraw/zinc/43/22/61/606432261.db2.gz GRAGCPWVUHCXBH-UHFFFAOYSA-N 2 2 378.484 2.783 20 0 GFADLP C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821611001 606974355 /nfs/dbraw/zinc/97/43/55/606974355.db2.gz NIUAPTZOVNWGHM-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821611001 606974356 /nfs/dbraw/zinc/97/43/56/606974356.db2.gz NIUAPTZOVNWGHM-UHFFFAOYSA-N 2 2 395.486 2.540 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000826521286 608135411 /nfs/dbraw/zinc/13/54/11/608135411.db2.gz HAIKQOBQKJKJKS-UHOSZYNNSA-N 2 2 378.480 2.850 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000826521286 608135412 /nfs/dbraw/zinc/13/54/12/608135412.db2.gz HAIKQOBQKJKJKS-UHOSZYNNSA-N 2 2 378.480 2.850 20 0 GFADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826146697 608511231 /nfs/dbraw/zinc/51/12/31/608511231.db2.gz AHRSYFGMNMTVQR-IBGZPJMESA-N 2 2 384.528 2.723 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413948 660494167 /nfs/dbraw/zinc/49/41/67/660494167.db2.gz OBFKTLYGBLCYTB-LBPRGKRZSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4sccc4nc3Cl)C2)CC1 ZINC000827413948 660494168 /nfs/dbraw/zinc/49/41/68/660494168.db2.gz OBFKTLYGBLCYTB-LBPRGKRZSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccs1 ZINC000053529603 654748466 /nfs/dbraw/zinc/74/84/66/654748466.db2.gz PNCQKOSWXYLZEB-MRXNPFEDSA-N 2 2 378.567 2.940 20 0 GFADLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000185344157 655363855 /nfs/dbraw/zinc/36/38/55/655363855.db2.gz ZGHZPKQZTMWMFH-OLZOCXBDSA-N 2 2 388.325 2.828 20 0 GFADLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000185344139 655363866 /nfs/dbraw/zinc/36/38/66/655363866.db2.gz ZGHZPKQZTMWMFH-STQMWFEESA-N 2 2 388.325 2.828 20 0 GFADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000186588464 655370204 /nfs/dbraw/zinc/37/02/04/655370204.db2.gz UCXOMMURFSDYEU-CHWSQXEVSA-N 2 2 388.325 2.970 20 0 GFADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000298117691 655372354 /nfs/dbraw/zinc/37/23/54/655372354.db2.gz OVGDMXJBNZNXNV-KRWDZBQOSA-N 2 2 378.314 2.771 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CO2 ZINC000729683077 655566724 /nfs/dbraw/zinc/56/67/24/655566724.db2.gz BBZSDSPWDLEKIA-IRXDYDNUSA-N 2 2 379.298 2.678 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CO2 ZINC000729683077 655566725 /nfs/dbraw/zinc/56/67/25/655566725.db2.gz BBZSDSPWDLEKIA-IRXDYDNUSA-N 2 2 379.298 2.678 20 0 GFADLP C[NH+](C)CCCNC(=S)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943688 655590057 /nfs/dbraw/zinc/59/00/57/655590057.db2.gz NBSNHOBLKQZAFC-INIZCTEOSA-N 2 2 386.968 2.859 20 0 GFADLP C[NH+](C)CCCNC(=S)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000731943688 655590062 /nfs/dbraw/zinc/59/00/62/655590062.db2.gz NBSNHOBLKQZAFC-INIZCTEOSA-N 2 2 386.968 2.859 20 0 GFADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2c(Cl)cncc2Cl)c1 ZINC000865446278 662422039 /nfs/dbraw/zinc/42/20/39/662422039.db2.gz QTJLGAPLGRRRHS-UHFFFAOYSA-N 2 2 381.307 2.970 20 0 GFADLP Cc1ccnc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1Br ZINC000865515213 662426261 /nfs/dbraw/zinc/42/62/61/662426261.db2.gz ZHQNRJYVHDAPQE-UHFFFAOYSA-N 2 2 379.302 2.778 20 0 GFADLP C[NH+](C)C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447295 662647187 /nfs/dbraw/zinc/64/71/87/662647187.db2.gz MVEDIKRVGGSPNN-CWIOURORSA-N 2 2 386.323 2.601 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996437 662869479 /nfs/dbraw/zinc/86/94/79/662869479.db2.gz VFQKBGWWUFHRRS-OAHLLOKOSA-N 2 2 380.945 2.982 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000876996437 662869480 /nfs/dbraw/zinc/86/94/80/662869480.db2.gz VFQKBGWWUFHRRS-OAHLLOKOSA-N 2 2 380.945 2.982 20 0 GFADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000878690303 662902487 /nfs/dbraw/zinc/90/24/87/662902487.db2.gz SLXFFMDJPUTGKR-UHFFFAOYSA-N 2 2 375.380 2.720 20 0 GFADLP Clc1cnc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c(Cl)c1 ZINC000903732042 663805489 /nfs/dbraw/zinc/80/54/89/663805489.db2.gz CEUYWOSLOWEUFT-HNNXBMFYSA-N 2 2 385.339 2.669 20 0 GFADLP Cc1nc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)sc1Br ZINC000921940884 664577612 /nfs/dbraw/zinc/57/76/12/664577612.db2.gz AMGPKBDQHNEMMV-UHFFFAOYSA-N 2 2 385.331 2.839 20 0 GFADLP C(CN1CC[NH2+]CC[N@H+](CCC2SCCS2)CC1)C1SCCS1 ZINC000923395531 664629591 /nfs/dbraw/zinc/62/95/91/664629591.db2.gz SWSRLPQALAHSKO-UHFFFAOYSA-N 2 2 393.713 2.586 20 0 GFADLP C(CN1CC[NH2+]CC[N@@H+](CCC2SCCS2)CC1)C1SCCS1 ZINC000923395531 664629593 /nfs/dbraw/zinc/62/95/93/664629593.db2.gz SWSRLPQALAHSKO-UHFFFAOYSA-N 2 2 393.713 2.586 20 0 GFADLP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC000931510196 664796929 /nfs/dbraw/zinc/79/69/29/664796929.db2.gz WDFVRJQJJFFAGL-UHFFFAOYSA-N 2 2 393.260 2.952 20 0 GFADLP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC2 ZINC000931510196 664796930 /nfs/dbraw/zinc/79/69/30/664796930.db2.gz WDFVRJQJJFFAGL-UHFFFAOYSA-N 2 2 393.260 2.952 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164839205 720505594 /nfs/dbraw/zinc/50/55/94/720505594.db2.gz SZBZEVVOEFCGBB-RCCFBDPRSA-N 2 2 379.512 2.841 20 0 GFADLP Cc1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839205 720505600 /nfs/dbraw/zinc/50/56/00/720505600.db2.gz SZBZEVVOEFCGBB-RCCFBDPRSA-N 2 2 379.512 2.841 20 0 GFADLP Cc1cccc2c1cc[nH+]c2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794464 721514067 /nfs/dbraw/zinc/51/40/67/721514067.db2.gz QCMKTZGUAULDEG-UHFFFAOYSA-N 2 2 376.508 2.507 20 0 GFADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000119131893 551215307 /nfs/dbraw/zinc/21/53/07/551215307.db2.gz NYJMLILLYDUEPI-CQSZACIVSA-N 2 2 382.346 2.695 20 0 GFADLP C[C@H](C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C[NH+]1CCOCC1 ZINC000120358704 551219975 /nfs/dbraw/zinc/21/99/75/551219975.db2.gz GRHGFNBCINATAA-CQSZACIVSA-N 2 2 393.329 2.897 20 0 GFADLP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000132145974 551377663 /nfs/dbraw/zinc/37/76/63/551377663.db2.gz SHXIITNURFHDGA-LBPRGKRZSA-N 2 2 378.485 2.930 20 0 GFADLP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000153116216 551446638 /nfs/dbraw/zinc/44/66/38/551446638.db2.gz RLTXJTZNJHFEAD-HUUCEWRRSA-N 2 2 398.345 2.724 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@@H+]1C1CC1 ZINC000156416389 551522612 /nfs/dbraw/zinc/52/26/12/551522612.db2.gz IDQJBTKFUGLWEC-CZUORRHYSA-N 2 2 380.330 2.784 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)C[N@H+]1C1CC1 ZINC000156416389 551522615 /nfs/dbraw/zinc/52/26/15/551522615.db2.gz IDQJBTKFUGLWEC-CZUORRHYSA-N 2 2 380.330 2.784 20 0 GFADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000178999924 552181600 /nfs/dbraw/zinc/18/16/00/552181600.db2.gz UYPDMAVIIDFAMX-ZDUSSCGKSA-N 2 2 380.124 2.614 20 0 GFADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000178999911 552181864 /nfs/dbraw/zinc/18/18/64/552181864.db2.gz UYPDMAVIIDFAMX-CYBMUJFWSA-N 2 2 380.124 2.614 20 0 GFADLP Nc1c(Br)cc(Br)cc1C[NH2+]CC[NH+]1CCCC1 ZINC000187493565 552417061 /nfs/dbraw/zinc/41/70/61/552417061.db2.gz WVSNJWBIIOPQMQ-UHFFFAOYSA-N 2 2 377.124 2.979 20 0 GFADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Br)o3)CC2)CC1 ZINC000191332413 552525365 /nfs/dbraw/zinc/52/53/65/552525365.db2.gz HJBDJTGWHXQPPK-UHFFFAOYSA-N 2 2 398.345 2.808 20 0 GFADLP C[C@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CC[NH2+]CC1 ZINC000237680272 553080448 /nfs/dbraw/zinc/08/04/48/553080448.db2.gz LDWSKDLFASSKFP-GFCCVEGCSA-N 2 2 379.302 2.739 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483112 564373953 /nfs/dbraw/zinc/37/39/53/564373953.db2.gz KZBSNXXJCOPKIY-MRXNPFEDSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483112 564373958 /nfs/dbraw/zinc/37/39/58/564373958.db2.gz KZBSNXXJCOPKIY-MRXNPFEDSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483112 564373960 /nfs/dbraw/zinc/37/39/60/564373960.db2.gz KZBSNXXJCOPKIY-MRXNPFEDSA-N 2 2 391.325 2.738 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000567483112 564373963 /nfs/dbraw/zinc/37/39/63/564373963.db2.gz KZBSNXXJCOPKIY-MRXNPFEDSA-N 2 2 391.325 2.738 20 0 GFADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318567031 563443750 /nfs/dbraw/zinc/44/37/50/563443750.db2.gz DQMMRBJVVGMLFW-CYBMUJFWSA-N 2 2 385.224 2.750 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418279698 563215660 /nfs/dbraw/zinc/21/56/60/563215660.db2.gz PQEAQFKFFTXNOG-QGZVFWFLSA-N 2 2 397.361 2.837 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418703840 563222816 /nfs/dbraw/zinc/22/28/16/563222816.db2.gz QXWUUIFNJGKZLN-GRDNDAEWSA-N 2 2 397.361 2.963 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418703842 563222864 /nfs/dbraw/zinc/22/28/64/563222864.db2.gz QXWUUIFNJGKZLN-JJRVBVJISA-N 2 2 397.361 2.963 20 0 GFADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829133 563257738 /nfs/dbraw/zinc/25/77/38/563257738.db2.gz DTCLPQAFJUICCR-KRWDZBQOSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C(=O)c1cccc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829133 563257739 /nfs/dbraw/zinc/25/77/39/563257739.db2.gz DTCLPQAFJUICCR-KRWDZBQOSA-N 2 2 380.330 2.690 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331477 563273273 /nfs/dbraw/zinc/27/32/73/563273273.db2.gz IEMABCAUSHKGJD-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000371331477 563273275 /nfs/dbraw/zinc/27/32/75/563273275.db2.gz IEMABCAUSHKGJD-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280034715 563319886 /nfs/dbraw/zinc/31/98/86/563319886.db2.gz IJCTUHPEBQWXRG-NSHDSACASA-N 2 2 380.341 2.777 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422944297 563351538 /nfs/dbraw/zinc/35/15/38/563351538.db2.gz LIIZCOFCJISMTM-HUUCEWRRSA-N 2 2 391.256 2.907 20 0 GFADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)nnn1-c1cccc(Br)c1 ZINC000423361363 563360622 /nfs/dbraw/zinc/36/06/22/563360622.db2.gz AFIBQRIIWBXUFC-MQIPJXDCSA-N 2 2 378.318 2.987 20 0 GFADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484740 563361265 /nfs/dbraw/zinc/36/12/65/563361265.db2.gz AJLOUZWRUYMXRU-CXAGYDPISA-N 2 2 377.330 2.801 20 0 GFADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423571297 563362136 /nfs/dbraw/zinc/36/21/36/563362136.db2.gz NOVGUZOZSIODOK-ZYHUDNBSSA-N 2 2 379.810 2.654 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000299284002 563380102 /nfs/dbraw/zinc/38/01/02/563380102.db2.gz YOLDVYDCCDINSU-UHFFFAOYSA-N 2 2 379.452 2.652 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000299284002 563380106 /nfs/dbraw/zinc/38/01/06/563380106.db2.gz YOLDVYDCCDINSU-UHFFFAOYSA-N 2 2 379.452 2.652 20 0 GFADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)CC2)cs1 ZINC000375005433 563387990 /nfs/dbraw/zinc/38/79/90/563387990.db2.gz OLWJWOSTZTWRRI-QZTJIDSGSA-N 2 2 385.599 2.609 20 0 GFADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000425096459 563404640 /nfs/dbraw/zinc/40/46/40/563404640.db2.gz DXVFYZMLXYTFCJ-UHFFFAOYSA-N 2 2 394.317 2.741 20 0 GFADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000425096459 563404642 /nfs/dbraw/zinc/40/46/42/563404642.db2.gz DXVFYZMLXYTFCJ-UHFFFAOYSA-N 2 2 394.317 2.741 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c[nH+]c12 ZINC000283960171 563460327 /nfs/dbraw/zinc/46/03/27/563460327.db2.gz KOUGJBZUINAXFH-ZFWWWQNUSA-N 2 2 384.318 2.653 20 0 GFADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCSC[C@H]3c3cccs3)cn2)CC1 ZINC000377256149 563468654 /nfs/dbraw/zinc/46/86/54/563468654.db2.gz ZVMFNQCHBZNEDL-INIZCTEOSA-N 2 2 375.567 2.580 20 0 GFADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCSC[C@H]3c3cccs3)cn2)CC1 ZINC000377256149 563468657 /nfs/dbraw/zinc/46/86/57/563468657.db2.gz ZVMFNQCHBZNEDL-INIZCTEOSA-N 2 2 375.567 2.580 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(I)c3)C2)CC1 ZINC000284472261 563476327 /nfs/dbraw/zinc/47/63/27/563476327.db2.gz VXDHJDUUARBILY-QGZVFWFLSA-N 2 2 399.320 2.503 20 0 GFADLP CN(C(=O)c1sccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637255 563481915 /nfs/dbraw/zinc/48/19/15/563481915.db2.gz PQDJWLMPUQVEEQ-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1sccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637255 563481917 /nfs/dbraw/zinc/48/19/17/563481917.db2.gz PQDJWLMPUQVEEQ-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP Cn1cc[nH+]c1N1CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000329612531 563484084 /nfs/dbraw/zinc/48/40/84/563484084.db2.gz KCBNYZLYGGLCNO-UHFFFAOYSA-N 2 2 376.258 2.646 20 0 GFADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550487 563544994 /nfs/dbraw/zinc/54/49/94/563544994.db2.gz GLMDDCCZDCZRSB-TZMCWYRMSA-N 2 2 379.302 2.982 20 0 GFADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000430550487 563544996 /nfs/dbraw/zinc/54/49/96/563544996.db2.gz GLMDDCCZDCZRSB-TZMCWYRMSA-N 2 2 379.302 2.982 20 0 GFADLP C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCC[NH2+]C1 ZINC000332304337 563591637 /nfs/dbraw/zinc/59/16/37/563591637.db2.gz GNRPOQLUZONOFN-ZOWXZIJZSA-N 2 2 387.343 2.645 20 0 GFADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972790 563678211 /nfs/dbraw/zinc/67/82/11/563678211.db2.gz OVQLQFDUJJCWFT-UHFFFAOYSA-N 2 2 391.313 2.817 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Br)CC2)CC1 ZINC000289833145 563687964 /nfs/dbraw/zinc/68/79/64/563687964.db2.gz OWNZQGISAUNXQY-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000439430044 563723852 /nfs/dbraw/zinc/72/38/52/563723852.db2.gz KIUHHJKAZLDFDH-MRXNPFEDSA-N 2 2 389.309 2.790 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118714 563759517 /nfs/dbraw/zinc/75/95/17/563759517.db2.gz DWSJVTKJUIMRPO-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)nn1 ZINC000415118714 563759519 /nfs/dbraw/zinc/75/95/19/563759519.db2.gz DWSJVTKJUIMRPO-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060653 563790187 /nfs/dbraw/zinc/79/01/87/563790187.db2.gz PLPWGABATPLYTO-JTQLQIEISA-N 2 2 376.245 2.727 20 0 GFADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000443060653 563790188 /nfs/dbraw/zinc/79/01/88/563790188.db2.gz PLPWGABATPLYTO-JTQLQIEISA-N 2 2 376.245 2.727 20 0 GFADLP Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c[nH+]1 ZINC000443072971 563790346 /nfs/dbraw/zinc/79/03/46/563790346.db2.gz SFURVKOUIZUROD-UHFFFAOYSA-N 2 2 385.892 2.683 20 0 GFADLP OCC[NH+]1CCC(CNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443522277 563807898 /nfs/dbraw/zinc/80/78/98/563807898.db2.gz YIPMCSOOQARLQF-UHFFFAOYSA-N 2 2 382.277 2.675 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462408 563809095 /nfs/dbraw/zinc/80/90/95/563809095.db2.gz DRHVWAIPTFEDNI-NXEZZACHSA-N 2 2 389.308 2.503 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000366462413 563809173 /nfs/dbraw/zinc/80/91/73/563809173.db2.gz DRHVWAIPTFEDNI-VHSXEESVSA-N 2 2 389.308 2.503 20 0 GFADLP [NH3+]C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCCCC1 ZINC000417216588 563873679 /nfs/dbraw/zinc/87/36/79/563873679.db2.gz JOTSPHZZFPIUHL-OAHLLOKOSA-N 2 2 394.317 2.804 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1Br ZINC000449112812 563907125 /nfs/dbraw/zinc/90/71/25/563907125.db2.gz SVOWDHGYTSNTDS-OAHLLOKOSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1Br ZINC000449112812 563907127 /nfs/dbraw/zinc/90/71/27/563907127.db2.gz SVOWDHGYTSNTDS-OAHLLOKOSA-N 2 2 386.309 2.621 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449598981 564191131 /nfs/dbraw/zinc/19/11/31/564191131.db2.gz JSXGNGAAAXBMMQ-QIIPPGSGSA-N 2 2 397.357 2.681 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449598981 564191134 /nfs/dbraw/zinc/19/11/34/564191134.db2.gz JSXGNGAAAXBMMQ-QIIPPGSGSA-N 2 2 397.357 2.681 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000538558508 564193407 /nfs/dbraw/zinc/19/34/07/564193407.db2.gz DONUIAMNOYNKHE-CJNGLKHVSA-N 2 2 393.333 2.682 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3Br)CC2)CC1 ZINC000564314481 564228903 /nfs/dbraw/zinc/22/89/03/564228903.db2.gz IRIATZSRKUSDKD-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP C[N@@H+]1CCc2nc(NC(=O)[C@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889620 564255507 /nfs/dbraw/zinc/25/55/07/564255507.db2.gz CUTHLGNVPGNIHZ-MRXNPFEDSA-N 2 2 395.326 2.706 20 0 GFADLP C[N@H+]1CCc2nc(NC(=O)[C@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889620 564255508 /nfs/dbraw/zinc/25/55/08/564255508.db2.gz CUTHLGNVPGNIHZ-MRXNPFEDSA-N 2 2 395.326 2.706 20 0 GFADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000474928891 564293626 /nfs/dbraw/zinc/29/36/26/564293626.db2.gz UPPGJDPNAHNLLH-VIFPVBQESA-N 2 2 389.187 2.871 20 0 GFADLP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566103563 564309532 /nfs/dbraw/zinc/30/95/32/564309532.db2.gz ADEWECOGTPBOQT-CQSZACIVSA-N 2 2 394.292 2.950 20 0 GFADLP CC[C@@H](C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936866 564350992 /nfs/dbraw/zinc/35/09/92/564350992.db2.gz QKXGMTFQIGUXGD-CYBMUJFWSA-N 2 2 383.290 2.656 20 0 GFADLP CC[C@@H](C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936866 564350996 /nfs/dbraw/zinc/35/09/96/564350996.db2.gz QKXGMTFQIGUXGD-CYBMUJFWSA-N 2 2 383.290 2.656 20 0 GFADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512083203 564391308 /nfs/dbraw/zinc/39/13/08/564391308.db2.gz NZFMIYRBZFGWMY-LLVKDONJSA-N 2 2 379.311 2.958 20 0 GFADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512083203 564391310 /nfs/dbraw/zinc/39/13/10/564391310.db2.gz NZFMIYRBZFGWMY-LLVKDONJSA-N 2 2 379.311 2.958 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)s1 ZINC000512130194 564392764 /nfs/dbraw/zinc/39/27/64/564392764.db2.gz LEGUIQLPGDYXNN-UHFFFAOYSA-N 2 2 384.299 2.986 20 0 GFADLP C[N@@H+]1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@@H](C[NH3+])C1 ZINC000568510733 564422334 /nfs/dbraw/zinc/42/23/34/564422334.db2.gz DLNTXPABHSFPFX-AWEZNQCLSA-N 2 2 381.343 2.647 20 0 GFADLP C[N@H+]1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)[C@@H](C[NH3+])C1 ZINC000568510733 564422338 /nfs/dbraw/zinc/42/23/38/564422338.db2.gz DLNTXPABHSFPFX-AWEZNQCLSA-N 2 2 381.343 2.647 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)c3c[nH+]ccc3N(C)C)[nH+]c12 ZINC000546117160 564445717 /nfs/dbraw/zinc/44/57/17/564445717.db2.gz OXFHTBKBHPZJGF-UHFFFAOYSA-N 2 2 388.269 2.796 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000515348679 564476164 /nfs/dbraw/zinc/47/61/64/564476164.db2.gz IWRWGRCUQARBJC-GJZGRUSLSA-N 2 2 385.599 2.741 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000515348679 564476166 /nfs/dbraw/zinc/47/61/66/564476166.db2.gz IWRWGRCUQARBJC-GJZGRUSLSA-N 2 2 385.599 2.741 20 0 GFADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1I ZINC000480760646 564487696 /nfs/dbraw/zinc/48/76/96/564487696.db2.gz RRVWQGBJMDRIEN-CYBMUJFWSA-N 2 2 376.282 2.910 20 0 GFADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1I ZINC000480760646 564487701 /nfs/dbraw/zinc/48/77/01/564487701.db2.gz RRVWQGBJMDRIEN-CYBMUJFWSA-N 2 2 376.282 2.910 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1=O ZINC000518307894 564550307 /nfs/dbraw/zinc/55/03/07/564550307.db2.gz JJNHCXGSOXLLTB-HNNXBMFYSA-N 2 2 395.276 2.603 20 0 GFADLP C[C@H]1C[NH+](CCOC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548491142 564554031 /nfs/dbraw/zinc/55/40/31/564554031.db2.gz XMJPWUHOWDNBQF-GJZGRUSLSA-N 2 2 398.345 2.939 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCC[NH2+]C(C)C)[nH+]c12 ZINC000571657566 564560623 /nfs/dbraw/zinc/56/06/23/564560623.db2.gz AZTVIXUIEDPLNA-UHFFFAOYSA-N 2 2 396.333 2.635 20 0 GFADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455857819 564574868 /nfs/dbraw/zinc/57/48/68/564574868.db2.gz ARBPXJQFRNDEPM-LBPRGKRZSA-N 2 2 384.322 2.716 20 0 GFADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455857819 564574870 /nfs/dbraw/zinc/57/48/70/564574870.db2.gz ARBPXJQFRNDEPM-LBPRGKRZSA-N 2 2 384.322 2.716 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858730 564575801 /nfs/dbraw/zinc/57/58/01/564575801.db2.gz CHVWNWSZKSCYPZ-GFCCVEGCSA-N 2 2 384.322 2.858 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455858730 564575803 /nfs/dbraw/zinc/57/58/03/564575803.db2.gz CHVWNWSZKSCYPZ-GFCCVEGCSA-N 2 2 384.322 2.858 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000485587797 564620329 /nfs/dbraw/zinc/62/03/29/564620329.db2.gz AFUBGWSZOGYDGT-QAPCUYQASA-N 2 2 381.973 2.983 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000485587797 564620332 /nfs/dbraw/zinc/62/03/32/564620332.db2.gz AFUBGWSZOGYDGT-QAPCUYQASA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2nc3cc(Cl)ccc3s2)C[C@@H](C)O1 ZINC000521491384 564628748 /nfs/dbraw/zinc/62/87/48/564628748.db2.gz QXGQIHQNZNEYDP-UMVBOHGHSA-N 2 2 383.945 2.552 20 0 GFADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956988 564705340 /nfs/dbraw/zinc/70/53/40/564705340.db2.gz BPIVSTYPLBMFEM-QGZVFWFLSA-N 2 2 398.345 2.724 20 0 GFADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000552956988 564705345 /nfs/dbraw/zinc/70/53/45/564705345.db2.gz BPIVSTYPLBMFEM-QGZVFWFLSA-N 2 2 398.345 2.724 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cccc(O)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459341905 564740028 /nfs/dbraw/zinc/74/00/28/564740028.db2.gz OUOCYEBCTWHNGN-GDBMZVCRSA-N 2 2 382.346 2.613 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459341905 564740032 /nfs/dbraw/zinc/74/00/32/564740032.db2.gz OUOCYEBCTWHNGN-GDBMZVCRSA-N 2 2 382.346 2.613 20 0 GFADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000580948145 564781571 /nfs/dbraw/zinc/78/15/71/564781571.db2.gz CQPBKIZTMFMUEH-CYBMUJFWSA-N 2 2 392.135 2.756 20 0 GFADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc(Br)ccc1Br)C1CC1 ZINC000580948145 564781572 /nfs/dbraw/zinc/78/15/72/564781572.db2.gz CQPBKIZTMFMUEH-CYBMUJFWSA-N 2 2 392.135 2.756 20 0 GFADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000528934730 564809951 /nfs/dbraw/zinc/80/99/51/564809951.db2.gz QIDXGBXGHAETJQ-UHFFFAOYSA-N 2 2 381.307 2.885 20 0 GFADLP CC1([NH+]2CCOCC2)CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000529663964 564845993 /nfs/dbraw/zinc/84/59/93/564845993.db2.gz OQAKMDRVROXQEO-UHFFFAOYSA-N 2 2 393.329 2.784 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000530465507 564882265 /nfs/dbraw/zinc/88/22/65/564882265.db2.gz UTWXWAXGRGDLCP-NXEZZACHSA-N 2 2 389.308 2.503 20 0 GFADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441299 564891446 /nfs/dbraw/zinc/89/14/46/564891446.db2.gz VRTFLWWISANQDP-CWRNSKLLSA-N 2 2 391.313 2.982 20 0 GFADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(Cc4cccc(Br)c4)no3)C[C@@H]21 ZINC000583441299 564891450 /nfs/dbraw/zinc/89/14/50/564891450.db2.gz VRTFLWWISANQDP-CWRNSKLLSA-N 2 2 391.313 2.982 20 0 GFADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1C ZINC000498249522 564893680 /nfs/dbraw/zinc/89/36/80/564893680.db2.gz FDTFSEPKFULXNI-CHWSQXEVSA-N 2 2 394.317 2.721 20 0 GFADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@H]1C ZINC000498249522 564893684 /nfs/dbraw/zinc/89/36/84/564893684.db2.gz FDTFSEPKFULXNI-CHWSQXEVSA-N 2 2 394.317 2.721 20 0 GFADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1C ZINC000498249530 564893841 /nfs/dbraw/zinc/89/38/41/564893841.db2.gz FDTFSEPKFULXNI-QWHCGFSZSA-N 2 2 394.317 2.721 20 0 GFADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C[C@@H]1C ZINC000498249530 564893845 /nfs/dbraw/zinc/89/38/45/564893845.db2.gz FDTFSEPKFULXNI-QWHCGFSZSA-N 2 2 394.317 2.721 20 0 GFADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043801 564917750 /nfs/dbraw/zinc/91/77/50/564917750.db2.gz QRWTZWMPQXGYSP-YOEHRIQHSA-N 2 2 386.323 2.707 20 0 GFADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000584043801 564917756 /nfs/dbraw/zinc/91/77/56/564917756.db2.gz QRWTZWMPQXGYSP-YOEHRIQHSA-N 2 2 386.323 2.707 20 0 GFADLP Cc1c(Br)cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Br ZINC000560083125 564949337 /nfs/dbraw/zinc/94/93/37/564949337.db2.gz RGPRIJPUVLAYGU-AWEZNQCLSA-N 2 2 394.151 2.922 20 0 GFADLP Cc1cc(Br)cnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535912805 565024422 /nfs/dbraw/zinc/02/44/22/565024422.db2.gz DHWJUCGQLKEKAB-SJPCQFCGSA-N 2 2 379.346 2.900 20 0 GFADLP Cc1cc(Br)cnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535912805 565024423 /nfs/dbraw/zinc/02/44/23/565024423.db2.gz DHWJUCGQLKEKAB-SJPCQFCGSA-N 2 2 379.346 2.900 20 0 GFADLP C[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)[NH+](C)C ZINC000635895303 565080802 /nfs/dbraw/zinc/08/08/02/565080802.db2.gz MVNLVTUUENHYJI-CQSZACIVSA-N 2 2 379.302 2.625 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000584499416 565084128 /nfs/dbraw/zinc/08/41/28/565084128.db2.gz KTKMSVQDFDFOAP-AAEUAGOBSA-N 2 2 396.310 2.538 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc21 ZINC000584499416 565084132 /nfs/dbraw/zinc/08/41/32/565084132.db2.gz KTKMSVQDFDFOAP-AAEUAGOBSA-N 2 2 396.310 2.538 20 0 GFADLP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638412990 565194992 /nfs/dbraw/zinc/19/49/92/565194992.db2.gz VYTFNMKQCGIVOU-FHWLQOOXSA-N 2 2 396.373 2.631 20 0 GFADLP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638412990 565194997 /nfs/dbraw/zinc/19/49/97/565194997.db2.gz VYTFNMKQCGIVOU-FHWLQOOXSA-N 2 2 396.373 2.631 20 0 GFADLP O=C(NCCc1cn2ccccc2[nH+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659288394 565210281 /nfs/dbraw/zinc/21/02/81/565210281.db2.gz WSJFJWSZETYXHG-UHFFFAOYSA-N 2 2 391.294 2.734 20 0 GFADLP CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)[C@H]1CCOC1 ZINC000639063549 565223026 /nfs/dbraw/zinc/22/30/26/565223026.db2.gz XUZUMDARTLDOLM-XJKSGUPXSA-N 2 2 382.302 2.589 20 0 GFADLP CO[C@H](C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)C1CCOCC1 ZINC000639063496 565223084 /nfs/dbraw/zinc/22/30/84/565223084.db2.gz WWPPDEASIFQIGB-QGZVFWFLSA-N 2 2 396.329 2.979 20 0 GFADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000659978305 565236760 /nfs/dbraw/zinc/23/67/60/565236760.db2.gz CJQYHUMHLSKDGM-MRXNPFEDSA-N 2 2 386.334 2.785 20 0 GFADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000659978305 565236761 /nfs/dbraw/zinc/23/67/61/565236761.db2.gz CJQYHUMHLSKDGM-MRXNPFEDSA-N 2 2 386.334 2.785 20 0 GFADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@H]2CCc3ncnn32)o1 ZINC000639639215 565253565 /nfs/dbraw/zinc/25/35/65/565253565.db2.gz SYNQZUWDBOUVIL-CYBMUJFWSA-N 2 2 391.273 2.520 20 0 GFADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@H]2CCc3ncnn32)o1 ZINC000639639215 565253569 /nfs/dbraw/zinc/25/35/69/565253569.db2.gz SYNQZUWDBOUVIL-CYBMUJFWSA-N 2 2 391.273 2.520 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ncsc3Br)CC2)CC1 ZINC000660107166 565253796 /nfs/dbraw/zinc/25/37/96/565253796.db2.gz MNIYDBBELBSOJL-UHFFFAOYSA-N 2 2 387.391 2.896 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617762253 565256842 /nfs/dbraw/zinc/25/68/42/565256842.db2.gz KXGZCXSGHLJWCU-DLBZAZTESA-N 2 2 382.346 2.552 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617762253 565256847 /nfs/dbraw/zinc/25/68/47/565256847.db2.gz KXGZCXSGHLJWCU-DLBZAZTESA-N 2 2 382.346 2.552 20 0 GFADLP Cc1ccc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617764860 565258635 /nfs/dbraw/zinc/25/86/35/565258635.db2.gz JKPHJUHLVUDSPQ-UHFFFAOYSA-N 2 2 384.362 2.690 20 0 GFADLP Cc1ccc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617764860 565258637 /nfs/dbraw/zinc/25/86/37/565258637.db2.gz JKPHJUHLVUDSPQ-UHFFFAOYSA-N 2 2 384.362 2.690 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2F)CC1 ZINC000639921141 565268651 /nfs/dbraw/zinc/26/86/51/565268651.db2.gz KPFKUDSPNAVTCF-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2F)CC1 ZINC000639921141 565268655 /nfs/dbraw/zinc/26/86/55/565268655.db2.gz KPFKUDSPNAVTCF-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)CC3=CCSC3)n2)CC1 ZINC000662267307 565357809 /nfs/dbraw/zinc/35/78/09/565357809.db2.gz SOZMBFBRGZFIFF-UHFFFAOYSA-N 2 2 380.583 2.919 20 0 GFADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)CC3=CCSC3)n2)CC1 ZINC000662267307 565357814 /nfs/dbraw/zinc/35/78/14/565357814.db2.gz SOZMBFBRGZFIFF-UHFFFAOYSA-N 2 2 380.583 2.919 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000620758007 565396292 /nfs/dbraw/zinc/39/62/92/565396292.db2.gz HBZCGAZNAKIXCU-UHFFFAOYSA-N 2 2 392.297 2.573 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000641788610 565400157 /nfs/dbraw/zinc/40/01/57/565400157.db2.gz TUFHGCNTFHEEPK-VQIMIIECSA-N 2 2 396.373 2.896 20 0 GFADLP C[C@H](CC[NH+](C)C)Nc1nc[nH+]c(N[C@H](C)CC[NH+](C)C)c1Br ZINC000663453799 565423006 /nfs/dbraw/zinc/42/30/06/565423006.db2.gz WLMFKHMEEBCSNT-CHWSQXEVSA-N 3 2 387.370 2.743 20 0 GFADLP Cc1nc(N2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c(C)[nH+]1 ZINC000663678249 565430559 /nfs/dbraw/zinc/43/05/59/565430559.db2.gz KTNRAPVEKPQBBL-UHFFFAOYSA-N 2 2 383.334 2.937 20 0 GFADLP CCCOc1ccc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623617685 565520236 /nfs/dbraw/zinc/52/02/36/565520236.db2.gz JKZQYBVNNVBTQU-INIZCTEOSA-N 2 2 398.345 2.667 20 0 GFADLP CCCOc1ccc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623617685 565520242 /nfs/dbraw/zinc/52/02/42/565520242.db2.gz JKZQYBVNNVBTQU-INIZCTEOSA-N 2 2 398.345 2.667 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085310 565542287 /nfs/dbraw/zinc/54/22/87/565542287.db2.gz MHGYLIBMQJXZSN-RCBQFDQVSA-N 2 2 380.330 2.927 20 0 GFADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Br)c21 ZINC000624085310 565542292 /nfs/dbraw/zinc/54/22/92/565542292.db2.gz MHGYLIBMQJXZSN-RCBQFDQVSA-N 2 2 380.330 2.927 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000667274749 565580350 /nfs/dbraw/zinc/58/03/50/565580350.db2.gz ROZCMFBXPRQTSW-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000667274749 565580355 /nfs/dbraw/zinc/58/03/55/565580355.db2.gz ROZCMFBXPRQTSW-UHFFFAOYSA-N 2 2 378.851 2.946 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000667683610 565601215 /nfs/dbraw/zinc/60/12/15/565601215.db2.gz WINSWNKPFLZKBD-KSSFIOAISA-N 2 2 381.362 2.610 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000667683610 565601219 /nfs/dbraw/zinc/60/12/19/565601219.db2.gz WINSWNKPFLZKBD-KSSFIOAISA-N 2 2 381.362 2.610 20 0 GFADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1c1ccc(Cl)cc1Cl ZINC000629573410 565860407 /nfs/dbraw/zinc/86/04/07/565860407.db2.gz BIVBUKRJQFGDOZ-HOCLYGCPSA-N 2 2 386.323 2.535 20 0 GFADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000675782017 565915036 /nfs/dbraw/zinc/91/50/36/565915036.db2.gz KFIQZIHPUGKAGD-ZDUSSCGKSA-N 2 2 375.460 2.766 20 0 GFADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000652358513 565924470 /nfs/dbraw/zinc/92/44/70/565924470.db2.gz ODACENHFJGOYNM-QMTHXVAHSA-N 2 2 379.810 2.593 20 0 GFADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000652358513 565924477 /nfs/dbraw/zinc/92/44/77/565924477.db2.gz ODACENHFJGOYNM-QMTHXVAHSA-N 2 2 379.810 2.593 20 0 GFADLP Brc1cccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c1 ZINC000655761776 566087218 /nfs/dbraw/zinc/08/72/18/566087218.db2.gz PGXBESATWRXCOH-HKUYNNGSSA-N 2 2 394.357 2.871 20 0 GFADLP CN(Cc1cccc(O)c1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656617895 566146767 /nfs/dbraw/zinc/14/67/67/566146767.db2.gz JVKSSMVTLBTNSD-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP CN(Cc1cccc(O)c1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656617895 566146773 /nfs/dbraw/zinc/14/67/73/566146773.db2.gz JVKSSMVTLBTNSD-INIZCTEOSA-N 2 2 382.346 2.755 20 0 GFADLP Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020485 566189737 /nfs/dbraw/zinc/18/97/37/566189737.db2.gz LNWMRIWHMMMFAK-PBHICJAKSA-N 2 2 377.286 2.528 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635444684 566213443 /nfs/dbraw/zinc/21/34/43/566213443.db2.gz SEODVLZYGYNPRB-HZPDHXFCSA-N 2 2 391.313 2.866 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635444684 566213447 /nfs/dbraw/zinc/21/34/47/566213447.db2.gz SEODVLZYGYNPRB-HZPDHXFCSA-N 2 2 391.313 2.866 20 0 GFADLP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524887 607479482 /nfs/dbraw/zinc/47/94/82/607479482.db2.gz NWZIAQJDWXKXJE-YJBOKZPZSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524887 607479483 /nfs/dbraw/zinc/47/94/83/607479483.db2.gz NWZIAQJDWXKXJE-YJBOKZPZSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524887 607479485 /nfs/dbraw/zinc/47/94/85/607479485.db2.gz NWZIAQJDWXKXJE-YJBOKZPZSA-N 2 2 377.496 2.568 20 0 GFADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c2ccccn12 ZINC000826524887 607479486 /nfs/dbraw/zinc/47/94/86/607479486.db2.gz NWZIAQJDWXKXJE-YJBOKZPZSA-N 2 2 377.496 2.568 20 0 GFADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCC(OCCC[NH+](C)C)CC1 ZINC000822333179 606403413 /nfs/dbraw/zinc/40/34/13/606403413.db2.gz ZOVXQZLGBJOYEY-UHFFFAOYSA-N 2 2 395.511 2.660 20 0 GFADLP CS[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)C[C@@H]1[NH+](C)C ZINC000826227429 608382794 /nfs/dbraw/zinc/38/27/94/608382794.db2.gz QYTSZUFMVBVWJX-HOTGVXAUSA-N 2 2 383.525 2.514 20 0 GFADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935736 608639158 /nfs/dbraw/zinc/63/91/58/608639158.db2.gz CRWHGPXEODARBB-SJORKVTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935736 608639159 /nfs/dbraw/zinc/63/91/59/608639159.db2.gz CRWHGPXEODARBB-SJORKVTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935736 608639162 /nfs/dbraw/zinc/63/91/62/608639162.db2.gz CRWHGPXEODARBB-SJORKVTESA-N 2 2 394.527 2.601 20 0 GFADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935736 608639163 /nfs/dbraw/zinc/63/91/63/608639163.db2.gz CRWHGPXEODARBB-SJORKVTESA-N 2 2 394.527 2.601 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521531 608845493 /nfs/dbraw/zinc/84/54/93/608845493.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521531 608845495 /nfs/dbraw/zinc/84/54/95/608845495.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521531 608845497 /nfs/dbraw/zinc/84/54/97/608845497.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521531 608845500 /nfs/dbraw/zinc/84/55/00/608845500.db2.gz QGCHURHTZLHPDS-IEBWSBKVSA-N 2 2 378.480 2.946 20 0 GFADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655024 609251681 /nfs/dbraw/zinc/25/16/81/609251681.db2.gz AUWYTVVIZDXCIC-KBXCAEBGSA-N 2 2 378.484 2.575 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc(Br)cs1 ZINC000834501934 660822542 /nfs/dbraw/zinc/82/25/42/660822542.db2.gz KXDXATVMUAEFRA-GFCCVEGCSA-N 2 2 396.358 2.903 20 0 GFADLP Cc1c(Br)nccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000836675848 660925229 /nfs/dbraw/zinc/92/52/29/660925229.db2.gz FTEQCTVEPZMVJU-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1c(Br)nccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000836675848 660925235 /nfs/dbraw/zinc/92/52/35/660925235.db2.gz FTEQCTVEPZMVJU-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991414 655296909 /nfs/dbraw/zinc/29/69/09/655296909.db2.gz WIVWQISDJROOBR-LLVKDONJSA-N 2 2 380.739 2.593 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000276991414 655296913 /nfs/dbraw/zinc/29/69/13/655296913.db2.gz WIVWQISDJROOBR-LLVKDONJSA-N 2 2 380.739 2.593 20 0 GFADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581019 655462434 /nfs/dbraw/zinc/46/24/34/655462434.db2.gz UBMYRYHNHIGMMS-INIZCTEOSA-N 2 2 393.329 2.763 20 0 GFADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581019 655462436 /nfs/dbraw/zinc/46/24/36/655462436.db2.gz UBMYRYHNHIGMMS-INIZCTEOSA-N 2 2 393.329 2.763 20 0 GFADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581019 655462439 /nfs/dbraw/zinc/46/24/39/655462439.db2.gz UBMYRYHNHIGMMS-INIZCTEOSA-N 2 2 393.329 2.763 20 0 GFADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000577581019 655462442 /nfs/dbraw/zinc/46/24/42/655462442.db2.gz UBMYRYHNHIGMMS-INIZCTEOSA-N 2 2 393.329 2.763 20 0 GFADLP COc1ccc(Cl)cc1NC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000792680878 658308928 /nfs/dbraw/zinc/30/89/28/658308928.db2.gz MZGAHDGRUOXPAA-AWEZNQCLSA-N 2 2 382.961 2.804 20 0 GFADLP COc1ccc(Cl)cc1NC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000792680878 658308942 /nfs/dbraw/zinc/30/89/42/658308942.db2.gz MZGAHDGRUOXPAA-AWEZNQCLSA-N 2 2 382.961 2.804 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636407 658587965 /nfs/dbraw/zinc/58/79/65/658587965.db2.gz IVQMRJYELLXKBW-AWEZNQCLSA-N 2 2 394.313 2.978 20 0 GFADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c(=O)oc4cccc(Br)c43)C2)CC1 ZINC000794636407 658587983 /nfs/dbraw/zinc/58/79/83/658587983.db2.gz IVQMRJYELLXKBW-AWEZNQCLSA-N 2 2 394.313 2.978 20 0 GFADLP CN(C(=O)c1nc(Cl)sc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847486130 661594380 /nfs/dbraw/zinc/59/43/80/661594380.db2.gz XASZKWSSFZOFSH-LLVKDONJSA-N 2 2 377.341 2.690 20 0 GFADLP CN(C(=O)c1nc(Cl)sc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847486130 661594382 /nfs/dbraw/zinc/59/43/82/661594382.db2.gz XASZKWSSFZOFSH-LLVKDONJSA-N 2 2 377.341 2.690 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCSC1 ZINC000865483455 662424534 /nfs/dbraw/zinc/42/45/34/662424534.db2.gz RZIMMKCRHBBODD-DOMZBBRYSA-N 2 2 385.496 2.859 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)c[nH+]c12 ZINC000873227041 662804117 /nfs/dbraw/zinc/80/41/17/662804117.db2.gz BHSXSBYUGHWEEU-MFKMUULPSA-N 2 2 391.235 2.974 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930221 663812201 /nfs/dbraw/zinc/81/22/01/663812201.db2.gz VECGDKYCCYZCEV-KDOFPFPSSA-N 2 2 392.345 2.841 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930221 663812204 /nfs/dbraw/zinc/81/22/04/663812204.db2.gz VECGDKYCCYZCEV-KDOFPFPSSA-N 2 2 392.345 2.841 20 0 GFADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1Br ZINC000922122654 664586840 /nfs/dbraw/zinc/58/68/40/664586840.db2.gz HIVFGTPWJAOJEE-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Br ZINC000922122654 664586842 /nfs/dbraw/zinc/58/68/42/664586842.db2.gz HIVFGTPWJAOJEE-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cc(Br)ccc21 ZINC000925844966 664675750 /nfs/dbraw/zinc/67/57/50/664675750.db2.gz JJENDAYHPDHJIY-USXIJHARSA-N 2 2 399.354 2.789 20 0 GFADLP Cc1cc(Br)c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000926092405 664681600 /nfs/dbraw/zinc/68/16/00/664681600.db2.gz BDQYGORAICXEBJ-UHFFFAOYSA-N 2 2 389.725 2.956 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811628 720112582 /nfs/dbraw/zinc/11/25/82/720112582.db2.gz NAGYNQAAFVGYAV-XMSQKQJNSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811628 720112585 /nfs/dbraw/zinc/11/25/85/720112585.db2.gz NAGYNQAAFVGYAV-XMSQKQJNSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809071 720139699 /nfs/dbraw/zinc/13/96/99/720139699.db2.gz GQLFEXYUHAFZKT-SIKLNZKXSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCCC3)cc[nH+]1)C2 ZINC001164809071 720139704 /nfs/dbraw/zinc/13/97/04/720139704.db2.gz GQLFEXYUHAFZKT-SIKLNZKXSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818706 720165194 /nfs/dbraw/zinc/16/51/94/720165194.db2.gz UGKSNNCBBFUUIC-KNQAVFIVSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818706 720165206 /nfs/dbraw/zinc/16/52/06/720165206.db2.gz UGKSNNCBBFUUIC-KNQAVFIVSA-N 2 2 385.556 2.652 20 0 GFADLP c1[nH+]cn2c1CN(c1ccc(C[NH+]3CCCC3)cn1)C[C@@H](COCC1CC1)C2 ZINC001164756360 720980522 /nfs/dbraw/zinc/98/05/22/720980522.db2.gz HCFFDYDRPAJYCG-HXUWFJFHSA-N 2 2 381.524 2.937 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc[nH+]1 ZINC001164771436 721170128 /nfs/dbraw/zinc/17/01/28/721170128.db2.gz PRZCRQYINXNBMS-VQTJNVASSA-N 2 2 397.571 2.795 20 0 GFADLP CCCN(CCC)c1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc[nH+]1 ZINC001164771436 721170130 /nfs/dbraw/zinc/17/01/30/721170130.db2.gz PRZCRQYINXNBMS-VQTJNVASSA-N 2 2 397.571 2.795 20 0 GFADLP CC(C)Oc1cc[nH+]c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164887731 721417507 /nfs/dbraw/zinc/41/75/07/721417507.db2.gz MUKLLAXXUNJTBB-IFMALSPDSA-N 2 2 388.556 2.634 20 0 GFADLP C(C[NH+]1CCCC1)[C@H]1CCCCN1c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001165050474 721975391 /nfs/dbraw/zinc/97/53/91/721975391.db2.gz YKYDAAHIDKLEBB-LJQANCHMSA-N 2 2 399.587 2.917 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977535 722120354 /nfs/dbraw/zinc/12/03/54/722120354.db2.gz NLXWIGTZPDMBIQ-OALUTQOASA-N 2 2 392.507 2.697 20 0 GFADLP Cc1[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164977535 722120355 /nfs/dbraw/zinc/12/03/55/722120355.db2.gz NLXWIGTZPDMBIQ-OALUTQOASA-N 2 2 392.507 2.697 20 0 GFADLP O=C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)N1CCc2sccc2C1 ZINC000359902658 209201556 /nfs/dbraw/zinc/20/15/56/209201556.db2.gz STOGATRXIJGVAX-UHFFFAOYSA-N 2 2 375.460 2.639 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389849 563531939 /nfs/dbraw/zinc/53/19/39/563531939.db2.gz XGOSTEHBBPVNRX-MCIONIFRSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389849 563531941 /nfs/dbraw/zinc/53/19/41/563531941.db2.gz XGOSTEHBBPVNRX-MCIONIFRSA-N 2 2 389.359 2.528 20 0 GFADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000068660332 551193100 /nfs/dbraw/zinc/19/31/00/551193100.db2.gz SIPMKXZZPNMTIL-UHFFFAOYSA-N 2 2 391.313 2.644 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154270204 551470862 /nfs/dbraw/zinc/47/08/62/551470862.db2.gz UCHQHMKTQWSRAT-GUYCJALGSA-N 2 2 381.314 2.882 20 0 GFADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277551 551618438 /nfs/dbraw/zinc/61/84/38/551618438.db2.gz IWFVFZAZTTZKOE-RHSMWYFYSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000163277551 551618439 /nfs/dbraw/zinc/61/84/39/551618439.db2.gz IWFVFZAZTTZKOE-RHSMWYFYSA-N 2 2 398.345 2.867 20 0 GFADLP C[N@H+](Cc1ccc(Br)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286917 552441232 /nfs/dbraw/zinc/44/12/32/552441232.db2.gz VVJMQGGGSWARMS-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[N@@H+](Cc1ccc(Br)cn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286917 552441234 /nfs/dbraw/zinc/44/12/34/552441234.db2.gz VVJMQGGGSWARMS-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1ccc(Br)cn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286917 552441235 /nfs/dbraw/zinc/44/12/35/552441235.db2.gz VVJMQGGGSWARMS-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1ccc(Br)cn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286917 552441238 /nfs/dbraw/zinc/44/12/38/552441238.db2.gz VVJMQGGGSWARMS-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[NH2+]CC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000237233098 553075969 /nfs/dbraw/zinc/07/59/69/553075969.db2.gz TZCIZMZCONPUTC-QGZVFWFLSA-N 2 2 375.563 2.905 20 0 GFADLP C[NH2+]CC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000237233098 553075971 /nfs/dbraw/zinc/07/59/71/553075971.db2.gz TZCIZMZCONPUTC-QGZVFWFLSA-N 2 2 375.563 2.905 20 0 GFADLP C[C@H](NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1 ZINC000246208636 553104444 /nfs/dbraw/zinc/10/44/44/553104444.db2.gz XCTUXMJTASSTEU-GJZGRUSLSA-N 2 2 382.346 2.900 20 0 GFADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Br)cc1 ZINC000246208636 553104447 /nfs/dbraw/zinc/10/44/47/553104447.db2.gz XCTUXMJTASSTEU-GJZGRUSLSA-N 2 2 382.346 2.900 20 0 GFADLP C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000246208636 553104449 /nfs/dbraw/zinc/10/44/49/553104449.db2.gz XCTUXMJTASSTEU-GJZGRUSLSA-N 2 2 382.346 2.900 20 0 GFADLP C[C@H](NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1 ZINC000246208636 553104452 /nfs/dbraw/zinc/10/44/52/553104452.db2.gz XCTUXMJTASSTEU-GJZGRUSLSA-N 2 2 382.346 2.900 20 0 GFADLP CCS[C@H]1CCCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000261483496 553153612 /nfs/dbraw/zinc/15/36/12/553153612.db2.gz XXVMTTGHWWSDIC-SFHVURJKSA-N 2 2 381.611 3.000 20 0 GFADLP C[C@]([NH3+])(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000261841346 553160675 /nfs/dbraw/zinc/16/06/75/553160675.db2.gz UZFDZIYZEIUHKI-GOSISDBHSA-N 2 2 391.313 2.515 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262029293 553164799 /nfs/dbraw/zinc/16/47/99/553164799.db2.gz WXRZGZAUUVWOOX-OAHLLOKOSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262029293 553164803 /nfs/dbraw/zinc/16/48/03/553164803.db2.gz WXRZGZAUUVWOOX-OAHLLOKOSA-N 2 2 375.822 2.755 20 0 GFADLP [NH3+]CCc1nc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000262325529 553169359 /nfs/dbraw/zinc/16/93/59/553169359.db2.gz DJFDNXRELARMRT-UHFFFAOYSA-N 2 2 378.929 2.646 20 0 GFADLP [NH3+]CCc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000262325529 553169361 /nfs/dbraw/zinc/16/93/61/553169361.db2.gz DJFDNXRELARMRT-UHFFFAOYSA-N 2 2 378.929 2.646 20 0 GFADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000263811234 553193966 /nfs/dbraw/zinc/19/39/66/553193966.db2.gz NKRPATLNBHSZDH-UHFFFAOYSA-N 2 2 377.286 2.620 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423092536 563354356 /nfs/dbraw/zinc/35/43/56/563354356.db2.gz CGJVBRYQQKHFFC-QMMMGPOBSA-N 2 2 380.657 2.651 20 0 GFADLP CCn1ccnc1[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(I)cc1 ZINC000423313952 563359741 /nfs/dbraw/zinc/35/97/41/563359741.db2.gz XMAJVANKQNUXBS-IUODEOHRSA-N 2 2 398.292 2.781 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369727799 563223641 /nfs/dbraw/zinc/22/36/41/563223641.db2.gz REPWGAOUTAERQE-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1c(Br)cccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369727799 563223644 /nfs/dbraw/zinc/22/36/44/563223644.db2.gz REPWGAOUTAERQE-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370573704 563248987 /nfs/dbraw/zinc/24/89/87/563248987.db2.gz JKABPZPAKLOGGV-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370573704 563248991 /nfs/dbraw/zinc/24/89/91/563248991.db2.gz JKABPZPAKLOGGV-MRXNPFEDSA-N 2 2 394.357 2.998 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299413 563271728 /nfs/dbraw/zinc/27/17/28/563271728.db2.gz GPVAQOQBIDSMJK-FVQBIDKESA-N 2 2 385.961 2.543 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299413 563271730 /nfs/dbraw/zinc/27/17/30/563271730.db2.gz GPVAQOQBIDSMJK-FVQBIDKESA-N 2 2 385.961 2.543 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1Br ZINC000371426222 563276585 /nfs/dbraw/zinc/27/65/85/563276585.db2.gz WGLSYVNWCIDXNK-KRWDZBQOSA-N 2 2 396.373 2.917 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1Br ZINC000371426222 563276589 /nfs/dbraw/zinc/27/65/89/563276589.db2.gz WGLSYVNWCIDXNK-KRWDZBQOSA-N 2 2 396.373 2.917 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1c[nH+]c2ccc(Br)cn12 ZINC000371470950 563278583 /nfs/dbraw/zinc/27/85/83/563278583.db2.gz PTKAKHBOEHHRAF-DJIMGWMZSA-N 2 2 393.329 2.780 20 0 GFADLP C[C@H]1CN(CCOc2ccccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373528978 563341776 /nfs/dbraw/zinc/34/17/76/563341776.db2.gz KFUVOPWZWQWQNC-INIZCTEOSA-N 2 2 396.373 2.928 20 0 GFADLP C[C@H]1CN(CCOc2ccccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373528978 563341779 /nfs/dbraw/zinc/34/17/79/563341779.db2.gz KFUVOPWZWQWQNC-INIZCTEOSA-N 2 2 396.373 2.928 20 0 GFADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529428 563362151 /nfs/dbraw/zinc/36/21/51/563362151.db2.gz VMQBYMJHMIAVRN-GXSJLCMTSA-N 2 2 378.108 2.851 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430468 563372068 /nfs/dbraw/zinc/37/20/68/563372068.db2.gz SLBVLZFGGDLORQ-VNQPRFMTSA-N 2 2 397.313 2.861 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(c(Br)c1)OCO2 ZINC000374430468 563372070 /nfs/dbraw/zinc/37/20/70/563372070.db2.gz SLBVLZFGGDLORQ-VNQPRFMTSA-N 2 2 397.313 2.861 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cc(Br)cs1 ZINC000375507997 563407341 /nfs/dbraw/zinc/40/73/41/563407341.db2.gz LAXWWHCSTOUBRM-XDMRBOTDSA-N 2 2 383.315 2.915 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1cccc(Br)c1 ZINC000375502705 563407553 /nfs/dbraw/zinc/40/75/53/563407553.db2.gz NJXIBFQVDZSRQK-JDSLSITLSA-N 2 2 377.286 2.853 20 0 GFADLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1Br ZINC000302182788 563422534 /nfs/dbraw/zinc/42/25/34/563422534.db2.gz SHTVRPQNWALIDW-XYPWUTKMSA-N 2 2 379.346 2.900 20 0 GFADLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1Br ZINC000302182788 563422535 /nfs/dbraw/zinc/42/25/35/563422535.db2.gz SHTVRPQNWALIDW-XYPWUTKMSA-N 2 2 379.346 2.900 20 0 GFADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621222 563480797 /nfs/dbraw/zinc/48/07/97/563480797.db2.gz FQEINYCHUIRKST-MRXNPFEDSA-N 2 2 382.346 2.757 20 0 GFADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000377621222 563480802 /nfs/dbraw/zinc/48/08/02/563480802.db2.gz FQEINYCHUIRKST-MRXNPFEDSA-N 2 2 382.346 2.757 20 0 GFADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362825 563582031 /nfs/dbraw/zinc/58/20/31/563582031.db2.gz PIXKUGZKZFJXJV-AWEZNQCLSA-N 2 2 383.330 2.975 20 0 GFADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CCCO1 ZINC000432362825 563582034 /nfs/dbraw/zinc/58/20/34/563582034.db2.gz PIXKUGZKZFJXJV-AWEZNQCLSA-N 2 2 383.330 2.975 20 0 GFADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc(I)c1OC ZINC000414950457 563755269 /nfs/dbraw/zinc/75/52/69/563755269.db2.gz HWOZMJFBSSXTGG-ZWNOBZJWSA-N 2 2 390.265 2.539 20 0 GFADLP COC[C@@]1(C[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CCC[NH2+]1 ZINC000414949146 563755517 /nfs/dbraw/zinc/75/55/17/563755517.db2.gz YWZIQFCDCUDIEZ-SFHVURJKSA-N 2 2 393.329 2.801 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415096457 563758896 /nfs/dbraw/zinc/75/88/96/563758896.db2.gz PZRJZINILSZJGP-SCLBCKFNSA-N 2 2 379.298 2.948 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584924 563787816 /nfs/dbraw/zinc/78/78/16/563787816.db2.gz MTZBKNGFGTWXRA-HSWBROFVSA-N 2 2 398.370 2.809 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3cc(Br)cs3)C2)CC1 ZINC000365584924 563787819 /nfs/dbraw/zinc/78/78/19/563787819.db2.gz MTZBKNGFGTWXRA-HSWBROFVSA-N 2 2 398.370 2.809 20 0 GFADLP Cc1nn(C)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1Br ZINC000365949283 563796028 /nfs/dbraw/zinc/79/60/28/563796028.db2.gz ILPWAAXONASQNB-ZIAGYGMSSA-N 2 2 399.377 2.812 20 0 GFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000368017596 563862159 /nfs/dbraw/zinc/86/21/59/563862159.db2.gz FPTMVLMUJHGFPA-WMZOPIPTSA-N 2 2 396.373 2.815 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103593 563863851 /nfs/dbraw/zinc/86/38/51/563863851.db2.gz XEQZJBOHQIDAIK-DTWKUNHWSA-N 2 2 389.308 2.572 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000368103593 563863853 /nfs/dbraw/zinc/86/38/53/563863853.db2.gz XEQZJBOHQIDAIK-DTWKUNHWSA-N 2 2 389.308 2.572 20 0 GFADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000417899454 563890885 /nfs/dbraw/zinc/89/08/85/563890885.db2.gz KVPQIZWECRLLSI-CQSZACIVSA-N 2 2 392.256 2.631 20 0 GFADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1I ZINC000417899454 563890887 /nfs/dbraw/zinc/89/08/87/563890887.db2.gz KVPQIZWECRLLSI-CQSZACIVSA-N 2 2 392.256 2.631 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])[nH+]c12 ZINC000418021504 563895562 /nfs/dbraw/zinc/89/55/62/563895562.db2.gz PVGAWLMBIUFOLW-XHDPSFHLSA-N 2 2 394.317 2.674 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000470847169 564179122 /nfs/dbraw/zinc/17/91/22/564179122.db2.gz KYOKXGBXCRYSSS-GOSISDBHSA-N 2 2 392.341 2.893 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C[N@@H+]1C1CC1 ZINC000449600615 564190908 /nfs/dbraw/zinc/19/09/08/564190908.db2.gz OTAKLDYCHQAOBV-WWGRRREGSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)C[N@H+]1C1CC1 ZINC000449600615 564190913 /nfs/dbraw/zinc/19/09/13/564190913.db2.gz OTAKLDYCHQAOBV-WWGRRREGSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685109 564196725 /nfs/dbraw/zinc/19/67/25/564196725.db2.gz RJHLGGWNUUXNJG-UVBSCNOISA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685109 564196729 /nfs/dbraw/zinc/19/67/29/564196729.db2.gz RJHLGGWNUUXNJG-UVBSCNOISA-N 2 2 385.321 2.812 20 0 GFADLP CC(C)(C[NH2+]Cc1ncc(I)s1)C[NH+]1CCCC1 ZINC000511795002 564382535 /nfs/dbraw/zinc/38/25/35/564382535.db2.gz HGYPFYZOWQNQLM-UHFFFAOYSA-N 2 2 379.311 2.959 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc(C(N)=O)c3)[nH+]c12 ZINC000545349888 564417945 /nfs/dbraw/zinc/41/79/45/564417945.db2.gz YAVNAFAGDHJGIE-UHFFFAOYSA-N 2 2 387.281 2.836 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081625 564425270 /nfs/dbraw/zinc/42/52/70/564425270.db2.gz ROJPUDNEEIKTHK-IAGOWNOFSA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081625 564425272 /nfs/dbraw/zinc/42/52/72/564425272.db2.gz ROJPUDNEEIKTHK-IAGOWNOFSA-N 2 2 398.320 2.969 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514229569 564447932 /nfs/dbraw/zinc/44/79/32/564447932.db2.gz SAIMUJSPKDWOIU-INIZCTEOSA-N 2 2 378.567 2.770 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514229569 564447936 /nfs/dbraw/zinc/44/79/36/564447936.db2.gz SAIMUJSPKDWOIU-INIZCTEOSA-N 2 2 378.567 2.770 20 0 GFADLP C[N@@H+]1CC[C@@H](CNC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514670421 564453808 /nfs/dbraw/zinc/45/38/08/564453808.db2.gz CVUVQYNIXYMCHE-MEDUHNTESA-N 2 2 382.892 2.817 20 0 GFADLP C[N@H+]1CC[C@@H](CNC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514670421 564453812 /nfs/dbraw/zinc/45/38/12/564453812.db2.gz CVUVQYNIXYMCHE-MEDUHNTESA-N 2 2 382.892 2.817 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262295 564466812 /nfs/dbraw/zinc/46/68/12/564466812.db2.gz JREAKWNAVDZVQR-LZWOXQAQSA-N 2 2 399.354 2.884 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262295 564466815 /nfs/dbraw/zinc/46/68/15/564466815.db2.gz JREAKWNAVDZVQR-LZWOXQAQSA-N 2 2 399.354 2.884 20 0 GFADLP COc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000571053357 564533684 /nfs/dbraw/zinc/53/36/84/564533684.db2.gz OFZTUCMBSGNGRW-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000571053357 564533687 /nfs/dbraw/zinc/53/36/87/564533687.db2.gz OFZTUCMBSGNGRW-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP O=C(C[C@@H]1CCC[NH2+]1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000571079818 564535307 /nfs/dbraw/zinc/53/53/07/564535307.db2.gz IUZZXRRJNMKMJL-INIZCTEOSA-N 2 2 391.313 2.817 20 0 GFADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455873615 564577749 /nfs/dbraw/zinc/57/77/49/564577749.db2.gz YDYCQHJDCMUOFB-UHFFFAOYSA-N 2 2 386.338 2.962 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cc1Br ZINC000455868228 564578015 /nfs/dbraw/zinc/57/80/15/564578015.db2.gz QDEWVOMOELIMRY-NEPJUHHUSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cc1Br ZINC000455868228 564578017 /nfs/dbraw/zinc/57/80/17/564578017.db2.gz QDEWVOMOELIMRY-NEPJUHHUSA-N 2 2 382.306 2.658 20 0 GFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000521651191 564633418 /nfs/dbraw/zinc/63/34/18/564633418.db2.gz WBRSNOTXAXYHEB-ZDUSSCGKSA-N 2 2 389.297 2.947 20 0 GFADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000573829590 564656333 /nfs/dbraw/zinc/65/63/33/564656333.db2.gz QWEQLDBNJQRGEZ-MRXNPFEDSA-N 2 2 384.933 2.966 20 0 GFADLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(Br)cn12)C[C@H]1CCCO1 ZINC000577304859 564733525 /nfs/dbraw/zinc/73/35/25/564733525.db2.gz AVILZPXBDLGEMS-MRXNPFEDSA-N 2 2 381.318 2.639 20 0 GFADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(O)c3Br)[nH+]c2)C1 ZINC000459448717 564744764 /nfs/dbraw/zinc/74/47/64/564744764.db2.gz LPDHCZWLKTVIQJ-HNNXBMFYSA-N 2 2 391.313 3.302 20 0 GFADLP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)CC2 ZINC000580440822 564759130 /nfs/dbraw/zinc/75/91/30/564759130.db2.gz SCBDMKROFNUULG-NSHDSACASA-N 2 2 378.274 2.616 20 0 GFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631966 564835828 /nfs/dbraw/zinc/83/58/28/564835828.db2.gz KLDFUNOTZHKZNR-GUYCJALGSA-N 2 2 380.330 2.641 20 0 GFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000494631966 564835832 /nfs/dbraw/zinc/83/58/32/564835832.db2.gz KLDFUNOTZHKZNR-GUYCJALGSA-N 2 2 380.330 2.641 20 0 GFADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494935260 564845032 /nfs/dbraw/zinc/84/50/32/564845032.db2.gz XIJBHTWIPXWLPM-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000494935260 564845034 /nfs/dbraw/zinc/84/50/34/564845034.db2.gz XIJBHTWIPXWLPM-UHFFFAOYSA-N 2 2 387.366 2.753 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536062053 565028317 /nfs/dbraw/zinc/02/83/17/565028317.db2.gz TZOBJFCHDPCIAE-STQMWFEESA-N 2 2 377.286 2.999 20 0 GFADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536062053 565028318 /nfs/dbraw/zinc/02/83/18/565028318.db2.gz TZOBJFCHDPCIAE-STQMWFEESA-N 2 2 377.286 2.999 20 0 GFADLP C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563155253 565057492 /nfs/dbraw/zinc/05/74/92/565057492.db2.gz AIHMYZVFVKIBRO-ROUUACIJSA-N 2 2 381.289 2.951 20 0 GFADLP C[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000563155253 565057494 /nfs/dbraw/zinc/05/74/94/565057494.db2.gz AIHMYZVFVKIBRO-ROUUACIJSA-N 2 2 381.289 2.951 20 0 GFADLP Brc1cnc2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103887 565185253 /nfs/dbraw/zinc/18/52/53/565185253.db2.gz CJQFOLFXZNWKGS-INIZCTEOSA-N 2 2 378.318 2.942 20 0 GFADLP Brc1cnc2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC000638103887 565185254 /nfs/dbraw/zinc/18/52/54/565185254.db2.gz CJQFOLFXZNWKGS-INIZCTEOSA-N 2 2 378.318 2.942 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000617763055 565256626 /nfs/dbraw/zinc/25/66/26/565256626.db2.gz CAKQVEZGADNRCC-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(F)cc1Br ZINC000617763055 565256629 /nfs/dbraw/zinc/25/66/29/565256629.db2.gz CAKQVEZGADNRCC-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000639831723 565265045 /nfs/dbraw/zinc/26/50/45/565265045.db2.gz WYSNCWIJTMXJAG-KRWDZBQOSA-N 2 2 389.323 2.530 20 0 GFADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)ccc1F ZINC000662461967 565369601 /nfs/dbraw/zinc/36/96/01/565369601.db2.gz GKGGZSHAEGPOFT-KRWDZBQOSA-N 2 2 394.288 2.966 20 0 GFADLP O=C(N1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662666933 565380517 /nfs/dbraw/zinc/38/05/17/565380517.db2.gz QFEOIMLIMMAEBA-INIZCTEOSA-N 2 2 375.822 2.526 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000663303886 565411810 /nfs/dbraw/zinc/41/18/10/565411810.db2.gz KZJIFGPGNIIXDG-GUYCJALGSA-N 2 2 396.329 2.619 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)n1 ZINC000665291491 565496391 /nfs/dbraw/zinc/49/63/91/565496391.db2.gz CPFVQYPIFOMKPV-CYBMUJFWSA-N 2 2 383.677 2.834 20 0 GFADLP Cc1ccc(Br)cc1[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623894814 565534249 /nfs/dbraw/zinc/53/42/49/565534249.db2.gz BRVWHIXBBYIIOA-SJLPKXTDSA-N 2 2 396.373 2.815 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000666894883 565562585 /nfs/dbraw/zinc/56/25/85/565562585.db2.gz BGQIDOOIFUREOE-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000666894883 565562590 /nfs/dbraw/zinc/56/25/90/565562590.db2.gz BGQIDOOIFUREOE-SNVBAGLBSA-N 2 2 395.223 2.575 20 0 GFADLP Cc1c(F)c(Br)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667505479 565591272 /nfs/dbraw/zinc/59/12/72/565591272.db2.gz QKEVEYZFJFJFJQ-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cc1c(F)c(Br)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667505479 565591274 /nfs/dbraw/zinc/59/12/74/565591274.db2.gz QKEVEYZFJFJFJQ-UHFFFAOYSA-N 2 2 389.313 2.902 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265915 565613759 /nfs/dbraw/zinc/61/37/59/565613759.db2.gz KPQQBCDADBGDBH-CJNGLKHVSA-N 2 2 389.297 2.925 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265915 565613764 /nfs/dbraw/zinc/61/37/64/565613764.db2.gz KPQQBCDADBGDBH-CJNGLKHVSA-N 2 2 389.297 2.925 20 0 GFADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647056163 565634596 /nfs/dbraw/zinc/63/45/96/565634596.db2.gz UZRCIRAEJFKYCW-IAGOWNOFSA-N 2 2 392.341 2.844 20 0 GFADLP COc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000625560722 565638941 /nfs/dbraw/zinc/63/89/41/565638941.db2.gz PHPJVPMGTUZQIF-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000625560722 565638944 /nfs/dbraw/zinc/63/89/44/565638944.db2.gz PHPJVPMGTUZQIF-UHFFFAOYSA-N 2 2 398.345 2.556 20 0 GFADLP CN(C(=O)c1ccsc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934478 565740772 /nfs/dbraw/zinc/74/07/72/565740772.db2.gz FVDXCQVMFVTDPX-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1ccsc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934478 565740774 /nfs/dbraw/zinc/74/07/74/565740774.db2.gz FVDXCQVMFVTDPX-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP COCCOCC[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000651487073 565865766 /nfs/dbraw/zinc/86/57/66/565865766.db2.gz QNPMDPHDKXRKCV-UHFFFAOYSA-N 2 2 394.313 2.782 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477243 565939635 /nfs/dbraw/zinc/93/96/35/565939635.db2.gz FYBLGRPTEYNIFP-HOTGVXAUSA-N 2 2 380.286 2.722 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676477243 565939638 /nfs/dbraw/zinc/93/96/38/565939638.db2.gz FYBLGRPTEYNIFP-HOTGVXAUSA-N 2 2 380.286 2.722 20 0 GFADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631090649 565939645 /nfs/dbraw/zinc/93/96/45/565939645.db2.gz HPLIQCXZARTTBE-JKSUJKDBSA-N 2 2 388.737 2.965 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477196 565940085 /nfs/dbraw/zinc/94/00/85/565940085.db2.gz FJGNMHPLGMVXGS-MRXNPFEDSA-N 2 2 391.313 2.941 20 0 GFADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676477196 565940092 /nfs/dbraw/zinc/94/00/92/565940092.db2.gz FJGNMHPLGMVXGS-MRXNPFEDSA-N 2 2 391.313 2.941 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716805 565946866 /nfs/dbraw/zinc/94/68/66/565946866.db2.gz YTGXEQLLMIXDBJ-BRWVUGGUSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2cc(Br)ccc2n1 ZINC000676716805 565946869 /nfs/dbraw/zinc/94/68/69/565946869.db2.gz YTGXEQLLMIXDBJ-BRWVUGGUSA-N 2 2 393.329 2.780 20 0 GFADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000653086674 565954073 /nfs/dbraw/zinc/95/40/73/565954073.db2.gz ZFDUBZZZNTVQCL-UONOGXRCSA-N 2 2 386.359 2.723 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000653098615 565954977 /nfs/dbraw/zinc/95/49/77/565954977.db2.gz SKOVAUXCKXIFCC-QGZVFWFLSA-N 2 2 388.339 2.780 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000653160389 565956201 /nfs/dbraw/zinc/95/62/01/565956201.db2.gz HGTQJZOLENUMBC-AWEZNQCLSA-N 2 2 377.838 2.786 20 0 GFADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000677654644 565980537 /nfs/dbraw/zinc/98/05/37/565980537.db2.gz XVZNYYJTHFVDGA-FUHWJXTLSA-N 2 2 384.351 2.977 20 0 GFADLP C[C@H](c1ccccc1Br)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083289 565998438 /nfs/dbraw/zinc/99/84/38/565998438.db2.gz ZHVUYAFQCJIYHG-DYVFJYSZSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@H](c1ccccc1Br)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678083289 565998443 /nfs/dbraw/zinc/99/84/43/565998443.db2.gz ZHVUYAFQCJIYHG-DYVFJYSZSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+]1CC(C)C1 ZINC000655149138 566042995 /nfs/dbraw/zinc/04/29/95/566042995.db2.gz GGKMIJIAVVNCNG-OAHLLOKOSA-N 2 2 394.357 2.870 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000680635325 566078910 /nfs/dbraw/zinc/07/89/10/566078910.db2.gz OYEPWHYUMIDSRC-CQSZACIVSA-N 2 2 382.346 2.902 20 0 GFADLP OC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655733695 566085482 /nfs/dbraw/zinc/08/54/82/566085482.db2.gz QAOUAHGJZIELGX-MSOLQXFVSA-N 2 2 383.330 2.716 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970602 566089534 /nfs/dbraw/zinc/08/95/34/566089534.db2.gz OFBKRDHCBVAWDP-INIZCTEOSA-N 2 2 380.330 2.656 20 0 GFADLP Cc1cc(Br)cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970602 566089535 /nfs/dbraw/zinc/08/95/35/566089535.db2.gz OFBKRDHCBVAWDP-INIZCTEOSA-N 2 2 380.330 2.656 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)cc1O ZINC000655792569 566090371 /nfs/dbraw/zinc/09/03/71/566090371.db2.gz LMYWDAFQHXCCSL-CQSZACIVSA-N 2 2 385.302 2.506 20 0 GFADLP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681386600 566104739 /nfs/dbraw/zinc/10/47/39/566104739.db2.gz CYVCKUIDPJNQDU-KDOFPFPSSA-N 2 2 376.298 2.967 20 0 GFADLP C[C@@H](Nc1cc[nH+]cc1Br)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681386600 566104747 /nfs/dbraw/zinc/10/47/47/566104747.db2.gz CYVCKUIDPJNQDU-KDOFPFPSSA-N 2 2 376.298 2.967 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000657071711 566218062 /nfs/dbraw/zinc/21/80/62/566218062.db2.gz SMZVSNXZLUHKAC-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000657071711 566218068 /nfs/dbraw/zinc/21/80/68/566218068.db2.gz SMZVSNXZLUHKAC-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP Cc1cccc2c(NC[C@H](c3cccc(F)c3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410839 599257710 /nfs/dbraw/zinc/25/77/10/599257710.db2.gz UMKXRFKFLSTMAG-GOSISDBHSA-N 2 2 391.454 2.999 20 0 GFADLP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524338 598532495 /nfs/dbraw/zinc/53/24/95/598532495.db2.gz UXVNTSUJFWEPDL-UTKZUKDTSA-N 2 2 394.523 2.743 20 0 GFADLP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524338 598532496 /nfs/dbraw/zinc/53/24/96/598532496.db2.gz UXVNTSUJFWEPDL-UTKZUKDTSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524338 598532497 /nfs/dbraw/zinc/53/24/97/598532497.db2.gz UXVNTSUJFWEPDL-UTKZUKDTSA-N 2 2 394.523 2.743 20 0 GFADLP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736524338 598532499 /nfs/dbraw/zinc/53/24/99/598532499.db2.gz UXVNTSUJFWEPDL-UTKZUKDTSA-N 2 2 394.523 2.743 20 0 GFADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438847 599363158 /nfs/dbraw/zinc/36/31/58/599363158.db2.gz XWNRQNBMNPUEES-MRXNPFEDSA-N 2 2 378.480 2.550 20 0 GFADLP C[C@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000822797812 660354592 /nfs/dbraw/zinc/35/45/92/660354592.db2.gz LWBVTIQZYZUARQ-GDIGMMSISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000822797812 660354594 /nfs/dbraw/zinc/35/45/94/660354594.db2.gz LWBVTIQZYZUARQ-GDIGMMSISA-N 2 2 386.367 2.985 20 0 GFADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711128 655206164 /nfs/dbraw/zinc/20/61/64/655206164.db2.gz PMRFZWLUNZWTFB-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711128 655206169 /nfs/dbraw/zinc/20/61/69/655206169.db2.gz PMRFZWLUNZWTFB-AWEZNQCLSA-N 2 2 387.355 2.890 20 0 GFADLP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245716907 655428342 /nfs/dbraw/zinc/42/83/42/655428342.db2.gz OTDIBGHBRUBQHJ-BZUAXINKSA-N 2 2 376.372 2.976 20 0 GFADLP CN(C(=O)[C@H]1CC1(Cl)Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245716907 655428343 /nfs/dbraw/zinc/42/83/43/655428343.db2.gz OTDIBGHBRUBQHJ-BZUAXINKSA-N 2 2 376.372 2.976 20 0 GFADLP O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738160420 655686373 /nfs/dbraw/zinc/68/63/73/655686373.db2.gz WZTWPSIQYRPZKE-ZDUSSCGKSA-N 2 2 377.242 2.848 20 0 GFADLP O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738160420 655686374 /nfs/dbraw/zinc/68/63/74/655686374.db2.gz WZTWPSIQYRPZKE-ZDUSSCGKSA-N 2 2 377.242 2.848 20 0 GFADLP [NH3+]CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000842471515 661341161 /nfs/dbraw/zinc/34/11/61/661341161.db2.gz GREWVSQXZOIZMB-UHFFFAOYSA-N 2 2 391.940 2.695 20 0 GFADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccnc3Br)[nH+]c2)C1 ZINC000865290479 662409873 /nfs/dbraw/zinc/40/98/73/662409873.db2.gz FPRWKESRCTWRNU-OAHLLOKOSA-N 2 2 376.302 2.992 20 0 GFADLP C[NH+](C)C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000869447298 662647165 /nfs/dbraw/zinc/64/71/65/662647165.db2.gz MVEDIKRVGGSPNN-REMYHPOOSA-N 2 2 386.323 2.601 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ncccc3Br)CC2)CC1 ZINC000878323363 662893868 /nfs/dbraw/zinc/89/38/68/662893868.db2.gz WBVHYVAZELUNQA-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000883378071 663054382 /nfs/dbraw/zinc/05/43/82/663054382.db2.gz YPPUYXZMASLNKZ-QGZVFWFLSA-N 2 2 378.314 2.919 20 0 GFADLP [NH3+]Cc1ocnc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000884317998 663068860 /nfs/dbraw/zinc/06/88/60/663068860.db2.gz JHDZJKSNXZBSKT-UHFFFAOYSA-N 2 2 383.279 2.835 20 0 GFADLP CCO/C=C/[C@](O)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)F ZINC000895710866 663524644 /nfs/dbraw/zinc/52/46/44/663524644.db2.gz OBPDLPLHIIXDRZ-PPOCWRSBSA-N 2 2 378.357 2.836 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458915 663785168 /nfs/dbraw/zinc/78/51/68/663785168.db2.gz MYXWJRWOEKZXKB-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)nn1 ZINC000903458915 663785170 /nfs/dbraw/zinc/78/51/70/663785170.db2.gz MYXWJRWOEKZXKB-CYBMUJFWSA-N 2 2 384.709 2.990 20 0 GFADLP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955446 663813597 /nfs/dbraw/zinc/81/35/97/663813597.db2.gz RUMUYSSWYMNWEJ-LLVKDONJSA-N 2 2 379.245 2.801 20 0 GFADLP C[C@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501651 664631518 /nfs/dbraw/zinc/63/15/18/664631518.db2.gz RTSYAXUYXZVWML-ZFWWWQNUSA-N 2 2 379.551 2.630 20 0 GFADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)CC[C@H]1C[NH3+] ZINC000923501651 664631520 /nfs/dbraw/zinc/63/15/20/664631520.db2.gz RTSYAXUYXZVWML-ZFWWWQNUSA-N 2 2 379.551 2.630 20 0 GFADLP Brc1cnn(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000927007996 664702172 /nfs/dbraw/zinc/70/21/72/664702172.db2.gz MNUGWLZIJBPXLF-UHFFFAOYSA-N 2 2 376.302 2.788 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)CC[NH2+]C(C)(C)C)[nH+]c12 ZINC000935368874 664957021 /nfs/dbraw/zinc/95/70/21/664957021.db2.gz JDEZDGMVKLOTLX-UHFFFAOYSA-N 2 2 381.318 2.842 20 0 GFADLP Cn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164695037 719888415 /nfs/dbraw/zinc/88/84/15/719888415.db2.gz JMTZSEBDAQAQJA-UHFFFAOYSA-N 2 2 383.521 2.901 20 0 GFADLP Cn1ccc2c1nc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695037 719888416 /nfs/dbraw/zinc/88/84/16/719888416.db2.gz JMTZSEBDAQAQJA-UHFFFAOYSA-N 2 2 383.521 2.901 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811627 720111832 /nfs/dbraw/zinc/11/18/32/720111832.db2.gz NAGYNQAAFVGYAV-PGRDOPGGSA-N 2 2 387.524 2.670 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc(C)c1C(=O)OC)C2 ZINC001164811627 720111842 /nfs/dbraw/zinc/11/18/42/720111842.db2.gz NAGYNQAAFVGYAV-PGRDOPGGSA-N 2 2 387.524 2.670 20 0 GFADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858637 720888657 /nfs/dbraw/zinc/88/86/57/720888657.db2.gz LMRGTDRQRPHBCQ-OXQOHEQNSA-N 2 2 389.471 2.556 20 0 GFADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858637 720888660 /nfs/dbraw/zinc/88/86/60/720888660.db2.gz LMRGTDRQRPHBCQ-OXQOHEQNSA-N 2 2 389.471 2.556 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762024 721176792 /nfs/dbraw/zinc/17/67/92/721176792.db2.gz BXMWDERFIUCBPH-RBUKOAKNSA-N 2 2 377.492 2.935 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762024 721176803 /nfs/dbraw/zinc/17/68/03/721176803.db2.gz BXMWDERFIUCBPH-RBUKOAKNSA-N 2 2 377.492 2.935 20 0 GFADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165011784 721721069 /nfs/dbraw/zinc/72/10/69/721721069.db2.gz UODGQVXZNDYYGV-UHFFFAOYSA-N 2 2 383.544 2.519 20 0 GFADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001165011784 721721074 /nfs/dbraw/zinc/72/10/74/721721074.db2.gz UODGQVXZNDYYGV-UHFFFAOYSA-N 2 2 383.544 2.519 20 0 GFADLP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C(C)(C)C)c[nH+]2)CC3)CC1 ZINC001165004010 722240026 /nfs/dbraw/zinc/24/00/26/722240026.db2.gz MIYHVRMDXPQLTJ-UHFFFAOYSA-N 2 2 380.540 2.526 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)ccc3Br)CC2)CC1 ZINC000050801043 551161748 /nfs/dbraw/zinc/16/17/48/551161748.db2.gz RJMPVHPXXFOYSH-UHFFFAOYSA-N 2 2 398.320 2.877 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000093790950 551195914 /nfs/dbraw/zinc/19/59/14/551195914.db2.gz ZPNGOSYPFMIMHB-MRXNPFEDSA-N 2 2 382.346 2.540 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000093790950 551195916 /nfs/dbraw/zinc/19/59/16/551195916.db2.gz ZPNGOSYPFMIMHB-MRXNPFEDSA-N 2 2 382.346 2.540 20 0 GFADLP Brc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2c1 ZINC000134066676 551384613 /nfs/dbraw/zinc/38/46/13/551384613.db2.gz BTYXUPDYQCBUGV-UHFFFAOYSA-N 2 2 393.329 2.641 20 0 GFADLP CCN(CC)S(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000154766746 551482198 /nfs/dbraw/zinc/48/21/98/551482198.db2.gz YAZYEMDHKTVJOL-UHFFFAOYSA-N 2 2 387.977 2.566 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Br ZINC000157604301 551539765 /nfs/dbraw/zinc/53/97/65/551539765.db2.gz AXPPRQUWVJWXIW-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Br ZINC000157604301 551539766 /nfs/dbraw/zinc/53/97/66/551539766.db2.gz AXPPRQUWVJWXIW-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Br ZINC000175155774 552116806 /nfs/dbraw/zinc/11/68/06/552116806.db2.gz UWHCDKNXIBRCJN-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167505 552277058 /nfs/dbraw/zinc/27/70/58/552277058.db2.gz PUBDVRFXKFXMFW-QGZVFWFLSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3OC)C2)CC1 ZINC000182167505 552277060 /nfs/dbraw/zinc/27/70/60/552277060.db2.gz PUBDVRFXKFXMFW-QGZVFWFLSA-N 2 2 382.346 2.670 20 0 GFADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000182903712 552295560 /nfs/dbraw/zinc/29/55/60/552295560.db2.gz MZKKKVSMRSNNPV-KRWDZBQOSA-N 2 2 396.373 2.930 20 0 GFADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000182903712 552295562 /nfs/dbraw/zinc/29/55/62/552295562.db2.gz MZKKKVSMRSNNPV-KRWDZBQOSA-N 2 2 396.373 2.930 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937824 552401956 /nfs/dbraw/zinc/40/19/56/552401956.db2.gz IWTBQSMKQNCKCY-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Br)c3OC)C2)CC1 ZINC000186937824 552401958 /nfs/dbraw/zinc/40/19/58/552401958.db2.gz IWTBQSMKQNCKCY-MRXNPFEDSA-N 2 2 382.346 2.670 20 0 GFADLP Cc1cc(Br)cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000187517088 552417844 /nfs/dbraw/zinc/41/78/44/552417844.db2.gz XUZAONSGGOVKJC-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688727 552452224 /nfs/dbraw/zinc/45/22/24/552452224.db2.gz VBJBMAXUVJRTPD-QGZVFWFLSA-N 2 2 382.346 2.860 20 0 GFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188688727 552452225 /nfs/dbraw/zinc/45/22/25/552452225.db2.gz VBJBMAXUVJRTPD-QGZVFWFLSA-N 2 2 382.346 2.860 20 0 GFADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423106033 563355301 /nfs/dbraw/zinc/35/53/01/563355301.db2.gz JFIAWEVNWLTBPQ-KNXALSJPSA-N 2 2 375.257 2.974 20 0 GFADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369728427 563223167 /nfs/dbraw/zinc/22/31/67/563223167.db2.gz ZNJDGZAGTXOKBE-CRAIPNDOSA-N 2 2 379.595 2.705 20 0 GFADLP CN(C(=O)[C@@H]1SCCc2sccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369728427 563223171 /nfs/dbraw/zinc/22/31/71/563223171.db2.gz ZNJDGZAGTXOKBE-CRAIPNDOSA-N 2 2 379.595 2.705 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000370393467 563242492 /nfs/dbraw/zinc/24/24/92/563242492.db2.gz BTMBZGSHFCUHTL-AWEZNQCLSA-N 2 2 376.492 2.930 20 0 GFADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000370393467 563242496 /nfs/dbraw/zinc/24/24/96/563242496.db2.gz BTMBZGSHFCUHTL-AWEZNQCLSA-N 2 2 376.492 2.930 20 0 GFADLP CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831921 563257383 /nfs/dbraw/zinc/25/73/83/563257383.db2.gz WOTFGBHMWWAORZ-GOSISDBHSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831921 563257387 /nfs/dbraw/zinc/25/73/87/563257387.db2.gz WOTFGBHMWWAORZ-GOSISDBHSA-N 2 2 394.357 2.619 20 0 GFADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000371305737 563271768 /nfs/dbraw/zinc/27/17/68/563271768.db2.gz ZXQCVZORFYEGPP-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000371305737 563271770 /nfs/dbraw/zinc/27/17/70/563271770.db2.gz ZXQCVZORFYEGPP-MAUKXSAKSA-N 2 2 396.373 2.916 20 0 GFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000281074231 563365456 /nfs/dbraw/zinc/36/54/56/563365456.db2.gz IOWXPLPIFQFTEN-GFCCVEGCSA-N 2 2 398.326 2.693 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(Br)cc1F ZINC000375516456 563408293 /nfs/dbraw/zinc/40/82/93/563408293.db2.gz BLWHIALTFJSLEH-LGFNAOKASA-N 2 2 395.276 2.992 20 0 GFADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425435916 563422368 /nfs/dbraw/zinc/42/23/68/563422368.db2.gz UVDDTVFSAISDKN-WBVHZDCISA-N 2 2 387.615 2.989 20 0 GFADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@@H](C)O1 ZINC000432835301 563594544 /nfs/dbraw/zinc/59/45/44/563594544.db2.gz HBISJALIQZVKPS-HUUCEWRRSA-N 2 2 399.377 2.894 20 0 GFADLP [NH3+]CCCOC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000435370505 563648967 /nfs/dbraw/zinc/64/89/67/563648967.db2.gz IWGABTFYWOQVPY-UHFFFAOYSA-N 2 2 384.311 2.904 20 0 GFADLP Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414342228 563727740 /nfs/dbraw/zinc/72/77/40/563727740.db2.gz LYTYYRDGOUQBFZ-UHFFFAOYSA-N 2 2 394.317 2.675 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)n1C ZINC000414349139 563728472 /nfs/dbraw/zinc/72/84/72/563728472.db2.gz JTQMKFYVZAZCBZ-CYBMUJFWSA-N 2 2 378.318 2.617 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272548 563891274 /nfs/dbraw/zinc/89/12/74/563891274.db2.gz BWDTYLBRPMUZBD-ZDUSSCGKSA-N 2 2 376.551 2.770 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc(-c4cccs4)n3)C2)CC1 ZINC000369272548 563891275 /nfs/dbraw/zinc/89/12/75/563891275.db2.gz BWDTYLBRPMUZBD-ZDUSSCGKSA-N 2 2 376.551 2.770 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])C3CCCC3)[nH+]c12 ZINC000418022001 563895527 /nfs/dbraw/zinc/89/55/27/563895527.db2.gz QKUMTRVTQUUDKK-HNNXBMFYSA-N 2 2 394.317 2.722 20 0 GFADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418021971 563895603 /nfs/dbraw/zinc/89/56/03/563895603.db2.gz KLAAADOMSXQTOV-OAHLLOKOSA-N 2 2 394.317 2.689 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)Cc2ccnc3c(Br)cccc23)CC1 ZINC000448987975 563904820 /nfs/dbraw/zinc/90/48/20/563904820.db2.gz ACXRSKBUSWAJFC-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccnc3c(Br)cccc23)CC1 ZINC000448987975 563904823 /nfs/dbraw/zinc/90/48/23/563904823.db2.gz ACXRSKBUSWAJFC-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395338 564184845 /nfs/dbraw/zinc/18/48/45/564184845.db2.gz POFMZZHRZBAYSJ-CYBMUJFWSA-N 2 2 393.272 2.987 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000449395338 564184848 /nfs/dbraw/zinc/18/48/48/564184848.db2.gz POFMZZHRZBAYSJ-CYBMUJFWSA-N 2 2 393.272 2.987 20 0 GFADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358126 564187190 /nfs/dbraw/zinc/18/71/90/564187190.db2.gz YRELYZVJJAPPNL-HOTGVXAUSA-N 2 2 377.298 2.568 20 0 GFADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)c1cc(F)cc(Br)c1 ZINC000563358126 564187187 /nfs/dbraw/zinc/18/71/87/564187187.db2.gz YRELYZVJJAPPNL-HOTGVXAUSA-N 2 2 377.298 2.568 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685106 564197141 /nfs/dbraw/zinc/19/71/41/564197141.db2.gz RJHLGGWNUUXNJG-DFHBCGBQSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449685106 564197146 /nfs/dbraw/zinc/19/71/46/564197146.db2.gz RJHLGGWNUUXNJG-DFHBCGBQSA-N 2 2 385.321 2.812 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449685881 564197224 /nfs/dbraw/zinc/19/72/24/564197224.db2.gz WJVGRFCSDGSSLH-ZQIUZPCESA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449685881 564197229 /nfs/dbraw/zinc/19/72/29/564197229.db2.gz WJVGRFCSDGSSLH-ZQIUZPCESA-N 2 2 397.357 2.824 20 0 GFADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(Br)c1 ZINC000564085331 564219569 /nfs/dbraw/zinc/21/95/69/564219569.db2.gz MQPBYQPGBYIMSF-QAPCUYQASA-N 2 2 396.329 2.524 20 0 GFADLP C[N@@H+]1CCc2nc(NC(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889615 564254571 /nfs/dbraw/zinc/25/45/71/564254571.db2.gz CUTHLGNVPGNIHZ-INIZCTEOSA-N 2 2 395.326 2.706 20 0 GFADLP C[N@H+]1CCc2nc(NC(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000564889615 564254574 /nfs/dbraw/zinc/25/45/74/564254574.db2.gz CUTHLGNVPGNIHZ-INIZCTEOSA-N 2 2 395.326 2.706 20 0 GFADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564951370 564258926 /nfs/dbraw/zinc/25/89/26/564258926.db2.gz HEEWSWYSVSSVFG-YSVLISHTSA-N 2 2 380.330 2.782 20 0 GFADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000564949466 564259001 /nfs/dbraw/zinc/25/90/01/564259001.db2.gz MUMJOSVNNGWHOQ-SJLPKXTDSA-N 2 2 380.330 2.783 20 0 GFADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232857 564271910 /nfs/dbraw/zinc/27/19/10/564271910.db2.gz FMVSWRFBTUKUDL-FZMZJTMJSA-N 2 2 397.331 2.861 20 0 GFADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232857 564271911 /nfs/dbraw/zinc/27/19/11/564271911.db2.gz FMVSWRFBTUKUDL-FZMZJTMJSA-N 2 2 397.331 2.861 20 0 GFADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474296450 564273551 /nfs/dbraw/zinc/27/35/51/564273551.db2.gz GVYKEGOMJDVSSE-UHFFFAOYSA-N 2 2 399.292 2.715 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)CC[NH+](C)C)[nH+]c12 ZINC000542767347 564325992 /nfs/dbraw/zinc/32/59/92/564325992.db2.gz ARPOYYQEYCXVBE-GFCCVEGCSA-N 2 2 382.306 2.545 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000566854767 564346578 /nfs/dbraw/zinc/34/65/78/564346578.db2.gz LTKKWQPMUIEHCZ-XOKHGSTOSA-N 2 2 380.330 2.700 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000567685026 564383060 /nfs/dbraw/zinc/38/30/60/564383060.db2.gz UDKLJOYXXKFPNY-XFJVYGCCSA-N 2 2 387.293 2.543 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000567685026 564383064 /nfs/dbraw/zinc/38/30/64/564383064.db2.gz UDKLJOYXXKFPNY-XFJVYGCCSA-N 2 2 387.293 2.543 20 0 GFADLP COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512047310 564390397 /nfs/dbraw/zinc/39/03/97/564390397.db2.gz ZIZBUYVBBNONML-UHFFFAOYSA-N 2 2 382.917 2.985 20 0 GFADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000568943667 564441586 /nfs/dbraw/zinc/44/15/86/564441586.db2.gz FHEPXQJWFUSQDJ-DZGCQCFKSA-N 2 2 382.917 2.500 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189412 564446727 /nfs/dbraw/zinc/44/67/27/564446727.db2.gz HPKYSWSKSPUEKO-KRWDZBQOSA-N 2 2 398.320 2.889 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189412 564446731 /nfs/dbraw/zinc/44/67/31/564446731.db2.gz HPKYSWSKSPUEKO-KRWDZBQOSA-N 2 2 398.320 2.889 20 0 GFADLP C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000453279529 564451773 /nfs/dbraw/zinc/45/17/73/564451773.db2.gz FWHDYVJHBFZQKC-KBPBESRZSA-N 2 2 377.501 2.611 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3Br)CC2)CC1 ZINC000569532610 564467560 /nfs/dbraw/zinc/46/75/60/564467560.db2.gz YVBYIUUUMLIFIF-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1I ZINC000480760647 564487335 /nfs/dbraw/zinc/48/73/35/564487335.db2.gz RRVWQGBJMDRIEN-ZDUSSCGKSA-N 2 2 376.282 2.910 20 0 GFADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1I ZINC000480760647 564487340 /nfs/dbraw/zinc/48/73/40/564487340.db2.gz RRVWQGBJMDRIEN-ZDUSSCGKSA-N 2 2 376.282 2.910 20 0 GFADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)cc(I)c1OC ZINC000517057195 564523699 /nfs/dbraw/zinc/52/36/99/564523699.db2.gz KECNQNZXTHYBEA-UHFFFAOYSA-N 2 2 392.281 2.692 20 0 GFADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(I)c1OC ZINC000517057195 564523702 /nfs/dbraw/zinc/52/37/02/564523702.db2.gz KECNQNZXTHYBEA-UHFFFAOYSA-N 2 2 392.281 2.692 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631581 564547271 /nfs/dbraw/zinc/54/72/71/564547271.db2.gz SMEBDRMHJYGKSD-FZMZJTMJSA-N 2 2 375.847 2.932 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1OC(F)F ZINC000482631581 564547274 /nfs/dbraw/zinc/54/72/74/564547274.db2.gz SMEBDRMHJYGKSD-FZMZJTMJSA-N 2 2 375.847 2.932 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218882 564548797 /nfs/dbraw/zinc/54/87/97/564548797.db2.gz TUJSIPQCGROXIA-IFXJQAMLSA-N 2 2 390.325 2.914 20 0 GFADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000518218882 564548799 /nfs/dbraw/zinc/54/87/99/564548799.db2.gz TUJSIPQCGROXIA-IFXJQAMLSA-N 2 2 390.325 2.914 20 0 GFADLP CC[N@@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573204012 564628585 /nfs/dbraw/zinc/62/85/85/564628585.db2.gz BOLIHLKQCNGSCM-CZUORRHYSA-N 2 2 382.892 2.960 20 0 GFADLP CC[N@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573204012 564628588 /nfs/dbraw/zinc/62/85/88/564628588.db2.gz BOLIHLKQCNGSCM-CZUORRHYSA-N 2 2 382.892 2.960 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000486038006 564636990 /nfs/dbraw/zinc/63/69/90/564636990.db2.gz OIMYBEBSBXZKIX-CQSZACIVSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000486038006 564636991 /nfs/dbraw/zinc/63/69/91/564636991.db2.gz OIMYBEBSBXZKIX-CQSZACIVSA-N 2 2 375.822 2.755 20 0 GFADLP [NH3+]CCCOC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000573445086 564638547 /nfs/dbraw/zinc/63/85/47/564638547.db2.gz OUXSGLPQVQYIHA-QGZVFWFLSA-N 2 2 386.323 2.929 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cscc2Br)C1=O ZINC000552012673 564673270 /nfs/dbraw/zinc/67/32/70/564673270.db2.gz VMASHWBOZBLDTM-ZDUSSCGKSA-N 2 2 383.315 2.525 20 0 GFADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063086 564740276 /nfs/dbraw/zinc/74/02/76/564740276.db2.gz ZHLHOWXDMBCDBP-HFBAOOFYSA-N 2 2 382.892 2.745 20 0 GFADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578063086 564740278 /nfs/dbraw/zinc/74/02/78/564740278.db2.gz ZHLHOWXDMBCDBP-HFBAOOFYSA-N 2 2 382.892 2.745 20 0 GFADLP CSc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000554969860 564779905 /nfs/dbraw/zinc/77/99/05/564779905.db2.gz ZNIDAVOZOFDFHL-UHFFFAOYSA-N 2 2 376.551 2.694 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Cl)cc1Cl ZINC000495830757 564856963 /nfs/dbraw/zinc/85/69/63/564856963.db2.gz AXEPBHYWWYTYKY-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Cl)cc1Cl ZINC000495830757 564856966 /nfs/dbraw/zinc/85/69/66/564856966.db2.gz AXEPBHYWWYTYKY-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C)c3ncc(Br)cn3)CC2)CC1 ZINC000558100581 564893070 /nfs/dbraw/zinc/89/30/70/564893070.db2.gz MXTJGVMKNIHBGH-HNNXBMFYSA-N 2 2 396.377 2.791 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990185 564951992 /nfs/dbraw/zinc/95/19/92/564951992.db2.gz LRGMYWCOQGJUNO-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000532990185 564951995 /nfs/dbraw/zinc/95/19/95/564951995.db2.gz LRGMYWCOQGJUNO-AWEZNQCLSA-N 2 2 393.329 2.621 20 0 GFADLP C[C@H](C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C[NH+]1CCOCC1 ZINC000534352380 564986695 /nfs/dbraw/zinc/98/66/95/564986695.db2.gz KZKGNSRNACGHCT-CYBMUJFWSA-N 2 2 384.311 2.632 20 0 GFADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1Br ZINC000536754131 565046444 /nfs/dbraw/zinc/04/64/44/565046444.db2.gz KAXHHEZRBOWYDT-OAHLLOKOSA-N 2 2 382.346 2.996 20 0 GFADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1Br ZINC000536754131 565046447 /nfs/dbraw/zinc/04/64/47/565046447.db2.gz KAXHHEZRBOWYDT-OAHLLOKOSA-N 2 2 382.346 2.996 20 0 GFADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657432434 565099671 /nfs/dbraw/zinc/09/96/71/565099671.db2.gz NSOWMELQEYBXON-OAHLLOKOSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657432434 565099676 /nfs/dbraw/zinc/09/96/76/565099676.db2.gz NSOWMELQEYBXON-OAHLLOKOSA-N 2 2 394.288 2.840 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000657372162 565099928 /nfs/dbraw/zinc/09/99/28/565099928.db2.gz CENZVLCAGBUFDP-IBGZPJMESA-N 2 2 390.325 2.879 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000657372162 565099933 /nfs/dbraw/zinc/09/99/33/565099933.db2.gz CENZVLCAGBUFDP-IBGZPJMESA-N 2 2 390.325 2.879 20 0 GFADLP OC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccc(F)c(Br)c1 ZINC000657485479 565103316 /nfs/dbraw/zinc/10/33/16/565103316.db2.gz LVLSGCYRWDVNFC-CYBMUJFWSA-N 2 2 382.277 2.672 20 0 GFADLP C[C@@H]1C[NH+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000585810798 565111517 /nfs/dbraw/zinc/11/15/17/565111517.db2.gz JOSJSGNADPKVMQ-HUUCEWRRSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228735 565155718 /nfs/dbraw/zinc/15/57/18/565155718.db2.gz LRYYWFPDKIOEFH-ZBFHGGJFSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228735 565155722 /nfs/dbraw/zinc/15/57/22/565155722.db2.gz LRYYWFPDKIOEFH-ZBFHGGJFSA-N 2 2 382.346 2.996 20 0 GFADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000638309745 565191572 /nfs/dbraw/zinc/19/15/72/565191572.db2.gz NAIJPOYKKUSZOT-UHFFFAOYSA-N 2 2 399.969 2.803 20 0 GFADLP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638413019 565194945 /nfs/dbraw/zinc/19/49/45/565194945.db2.gz VYTFNMKQCGIVOU-OTWHNJEPSA-N 2 2 396.373 2.631 20 0 GFADLP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C[C@H]1c1ccc(Br)cc1 ZINC000638413019 565194950 /nfs/dbraw/zinc/19/49/50/565194950.db2.gz VYTFNMKQCGIVOU-OTWHNJEPSA-N 2 2 396.373 2.631 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H]3CCCC(=O)N3)[nH+]c12 ZINC000639060571 565223383 /nfs/dbraw/zinc/22/33/83/565223383.db2.gz NLTXZULIICJDFH-DZGCQCFKSA-N 2 2 393.329 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000617767919 565257827 /nfs/dbraw/zinc/25/78/27/565257827.db2.gz IFKKJGYTLNFKAM-UHFFFAOYSA-N 2 2 396.373 2.871 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000617767919 565257832 /nfs/dbraw/zinc/25/78/32/565257832.db2.gz IFKKJGYTLNFKAM-UHFFFAOYSA-N 2 2 396.373 2.871 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281230 565358129 /nfs/dbraw/zinc/35/81/29/565358129.db2.gz KPJWJEBJOUIQOS-HOTGVXAUSA-N 2 2 384.318 2.571 20 0 GFADLP C[NH2+][C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662532918 565374355 /nfs/dbraw/zinc/37/43/55/565374355.db2.gz WQJFYCWKOYSDCV-IIYDPXPESA-N 2 2 388.339 2.822 20 0 GFADLP C[NH2+][C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662532918 565374363 /nfs/dbraw/zinc/37/43/63/565374363.db2.gz WQJFYCWKOYSDCV-IIYDPXPESA-N 2 2 388.339 2.822 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000641785767 565400142 /nfs/dbraw/zinc/40/01/42/565400142.db2.gz DTCVSUIIEBINHZ-DLBZAZTESA-N 2 2 396.373 2.896 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205992 565424178 /nfs/dbraw/zinc/42/41/78/565424178.db2.gz RAWDXEJYTFXSPU-YOEHRIQHSA-N 2 2 394.357 2.837 20 0 GFADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000643205992 565424187 /nfs/dbraw/zinc/42/41/87/565424187.db2.gz RAWDXEJYTFXSPU-YOEHRIQHSA-N 2 2 394.357 2.837 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000663955523 565445282 /nfs/dbraw/zinc/44/52/82/565445282.db2.gz QQYMDORKLLKKAA-KRWDZBQOSA-N 2 2 397.361 2.619 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2c1cccc2Br ZINC000663955523 565445283 /nfs/dbraw/zinc/44/52/83/565445283.db2.gz QQYMDORKLLKKAA-KRWDZBQOSA-N 2 2 397.361 2.619 20 0 GFADLP C[C@H](CCNc1nc[nH+]c(NCC[C@@H](C)[NH+](C)C)c1Br)[NH+](C)C ZINC000664246604 565456682 /nfs/dbraw/zinc/45/66/82/565456682.db2.gz VQPQSUIQVPFXKR-CHWSQXEVSA-N 3 2 387.370 2.743 20 0 GFADLP Cc1nc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(Br)c(C)[nH+]1 ZINC000664540597 565465914 /nfs/dbraw/zinc/46/59/14/565465914.db2.gz YKKLXDOLXZSJCB-ZIAGYGMSSA-N 2 2 381.318 2.911 20 0 GFADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000644569468 565482801 /nfs/dbraw/zinc/48/28/01/565482801.db2.gz RHODJGNRHCDBOB-CVEARBPZSA-N 2 2 389.309 2.792 20 0 GFADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631157 565486431 /nfs/dbraw/zinc/48/64/31/565486431.db2.gz HPBZBKQAEIKUCL-GDBMZVCRSA-N 2 2 386.323 2.534 20 0 GFADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)C1CC1 ZINC000644631157 565486437 /nfs/dbraw/zinc/48/64/37/565486437.db2.gz HPBZBKQAEIKUCL-GDBMZVCRSA-N 2 2 386.323 2.534 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000664998132 565488947 /nfs/dbraw/zinc/48/89/47/565488947.db2.gz BWABLUKIYOOPNV-XQRVVYSFSA-N 2 2 397.361 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC/C=C\c1ccc(Br)cc1 ZINC000664998132 565488949 /nfs/dbraw/zinc/48/89/49/565488949.db2.gz BWABLUKIYOOPNV-XQRVVYSFSA-N 2 2 397.361 2.645 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665252329 565494887 /nfs/dbraw/zinc/49/48/87/565494887.db2.gz MYQXGECSAQQKFT-BMGDILEWSA-N 2 2 390.325 2.735 20 0 GFADLP CC1([NH3+])CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000646993684 565631366 /nfs/dbraw/zinc/63/13/66/565631366.db2.gz DPFMIAFWYLXMEZ-INIZCTEOSA-N 2 2 380.330 2.926 20 0 GFADLP Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668639650 565658014 /nfs/dbraw/zinc/65/80/14/565658014.db2.gz KGSXMTOKFYLHFR-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(F)c(Br)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668639650 565658021 /nfs/dbraw/zinc/65/80/21/565658021.db2.gz KGSXMTOKFYLHFR-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP CCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000668694099 565662356 /nfs/dbraw/zinc/66/23/56/565662356.db2.gz ZPFPQBRACTVCBN-OAHLLOKOSA-N 2 2 399.329 2.896 20 0 GFADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000647814437 565678574 /nfs/dbraw/zinc/67/85/74/565678574.db2.gz NZIQZBDIIRRFFZ-UHFFFAOYSA-N 2 2 388.256 2.882 20 0 GFADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1c(F)cc(F)cc1Br ZINC000647814437 565678577 /nfs/dbraw/zinc/67/85/77/565678577.db2.gz NZIQZBDIIRRFFZ-UHFFFAOYSA-N 2 2 388.256 2.882 20 0 GFADLP CN(C(=O)c1cscc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720652 565784392 /nfs/dbraw/zinc/78/43/92/565784392.db2.gz SYWPTTWJXXOWHU-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP CN(C(=O)c1cscc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720652 565784395 /nfs/dbraw/zinc/78/43/95/565784395.db2.gz SYWPTTWJXXOWHU-CYBMUJFWSA-N 2 2 386.359 2.751 20 0 GFADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3CCSCC3)n2)C1 ZINC000602283500 565835872 /nfs/dbraw/zinc/83/58/72/565835872.db2.gz GCJWRXJKUCQVCI-AWEZNQCLSA-N 2 2 383.587 2.545 20 0 GFADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3CCSCC3)n2)C1 ZINC000602283500 565835878 /nfs/dbraw/zinc/83/58/78/565835878.db2.gz GCJWRXJKUCQVCI-AWEZNQCLSA-N 2 2 383.587 2.545 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184929 565924226 /nfs/dbraw/zinc/92/42/26/565924226.db2.gz KPDJNCMPFFWWPD-CYBMUJFWSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184929 565924229 /nfs/dbraw/zinc/92/42/29/565924229.db2.gz KPDJNCMPFFWWPD-CYBMUJFWSA-N 2 2 385.339 2.961 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360660 565924880 /nfs/dbraw/zinc/92/48/80/565924880.db2.gz NREDONOLAFENDH-XOKHGSTOSA-N 2 2 396.329 2.748 20 0 GFADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000652360660 565924886 /nfs/dbraw/zinc/92/48/86/565924886.db2.gz NREDONOLAFENDH-XOKHGSTOSA-N 2 2 396.329 2.748 20 0 GFADLP COc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(F)cc1Br ZINC000631166066 565945638 /nfs/dbraw/zinc/94/56/38/565945638.db2.gz FJNAFCMQKXQOHX-UHFFFAOYSA-N 2 2 375.282 2.533 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133724 566005200 /nfs/dbraw/zinc/00/52/00/566005200.db2.gz CZHRHPQOIGGBGD-OAHLLOKOSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000608133724 566005206 /nfs/dbraw/zinc/00/52/06/566005206.db2.gz CZHRHPQOIGGBGD-OAHLLOKOSA-N 2 2 386.323 2.657 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970881 566088867 /nfs/dbraw/zinc/08/88/67/566088867.db2.gz TYLWZMKWMNLUAW-SFHVURJKSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680970881 566088875 /nfs/dbraw/zinc/08/88/75/566088875.db2.gz TYLWZMKWMNLUAW-SFHVURJKSA-N 2 2 394.357 2.998 20 0 GFADLP Ic1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611136037 566117383 /nfs/dbraw/zinc/11/73/83/566117383.db2.gz KHSKRVAHVGNTCD-STQMWFEESA-N 2 2 395.244 2.597 20 0 GFADLP Fc1cc2c(cc1Br)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000656259276 566119494 /nfs/dbraw/zinc/11/94/94/566119494.db2.gz CMMCYEFAKRSRMH-WBMJQRKESA-N 2 2 385.277 2.865 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682187304 566146474 /nfs/dbraw/zinc/14/64/74/566146474.db2.gz SCNRUAHEGIPCMW-HZPDHXFCSA-N 2 2 398.276 2.862 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682187304 566146477 /nfs/dbraw/zinc/14/64/77/566146477.db2.gz SCNRUAHEGIPCMW-HZPDHXFCSA-N 2 2 398.276 2.862 20 0 GFADLP C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736804404 598898554 /nfs/dbraw/zinc/89/85/54/598898554.db2.gz NBURETOBZUPXGQ-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000736804404 598898556 /nfs/dbraw/zinc/89/85/56/598898556.db2.gz NBURETOBZUPXGQ-UHFFFAOYSA-N 2 2 392.507 2.842 20 0 GFADLP Cc1cccc2c(NC[C@@H](c3ccsc3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407545 599268337 /nfs/dbraw/zinc/26/83/37/599268337.db2.gz CNIMFLGQANPTSS-INIZCTEOSA-N 2 2 379.493 2.922 20 0 GFADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@@H+]1CCOC ZINC000820995649 599533817 /nfs/dbraw/zinc/53/38/17/599533817.db2.gz VKWLSYVBFOWIJE-INIZCTEOSA-N 2 2 395.511 2.579 20 0 GFADLP CC[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC[N@H+]1CCOC ZINC000820995649 599533818 /nfs/dbraw/zinc/53/38/18/599533818.db2.gz VKWLSYVBFOWIJE-INIZCTEOSA-N 2 2 395.511 2.579 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826514046 607478462 /nfs/dbraw/zinc/47/84/62/607478462.db2.gz FQKYQMYPQOQKDG-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826514046 607478464 /nfs/dbraw/zinc/47/84/64/607478464.db2.gz FQKYQMYPQOQKDG-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826514046 607478466 /nfs/dbraw/zinc/47/84/66/607478466.db2.gz FQKYQMYPQOQKDG-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(-c2nn[nH]n2)ccc1OCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826514046 607478468 /nfs/dbraw/zinc/47/84/68/607478468.db2.gz FQKYQMYPQOQKDG-PXNSSMCTSA-N 2 2 382.512 2.584 20 0 GFADLP C[C@H](c1ccccn1)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820571445 606110091 /nfs/dbraw/zinc/11/00/91/606110091.db2.gz YPXVCMSVILTTND-OAHLLOKOSA-N 2 2 386.463 2.693 20 0 GFADLP C[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000125565104 654798030 /nfs/dbraw/zinc/79/80/30/654798030.db2.gz OXTKBZCCGMMBJZ-KRWDZBQOSA-N 2 2 380.330 2.796 20 0 GFADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000266499120 654882067 /nfs/dbraw/zinc/88/20/67/654882067.db2.gz AZLLJQUYPOAJJN-CQSZACIVSA-N 2 2 382.346 2.870 20 0 GFADLP O=S(=O)(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000268877747 654989790 /nfs/dbraw/zinc/98/97/90/654989790.db2.gz ZEPNCNQTKKBELE-UHFFFAOYSA-N 2 2 379.913 2.767 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000576400101 655446805 /nfs/dbraw/zinc/44/68/05/655446805.db2.gz WEMDZMYGFIFYRI-KBPBESRZSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000576400101 655446806 /nfs/dbraw/zinc/44/68/06/655446806.db2.gz WEMDZMYGFIFYRI-KBPBESRZSA-N 2 2 399.329 2.869 20 0 GFADLP C[NH+]1CCC(CNC(=O)N2CCC=C(Br)C2)([NH+]2CCCCC2)CC1 ZINC000799595281 659200577 /nfs/dbraw/zinc/20/05/77/659200577.db2.gz DBJOXWSCPAWSSD-UHFFFAOYSA-N 2 2 399.377 2.631 20 0 GFADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(Br)c1O ZINC000848525102 661661391 /nfs/dbraw/zinc/66/13/91/661661391.db2.gz NLIQKAQFVWDGPQ-CQSZACIVSA-N 2 2 385.302 2.506 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCF)C1)CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000852533872 661866769 /nfs/dbraw/zinc/86/67/69/661866769.db2.gz YSRASUNFKKEOST-ROUUACIJSA-N 2 2 380.545 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCF)C1)CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852533872 661866772 /nfs/dbraw/zinc/86/67/72/661866772.db2.gz YSRASUNFKKEOST-ROUUACIJSA-N 2 2 380.545 2.544 20 0 GFADLP C[NH+](C)C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214187 661885182 /nfs/dbraw/zinc/88/51/82/661885182.db2.gz XTTPJOGAZIKVDO-IUODEOHRSA-N 2 2 376.444 2.687 20 0 GFADLP C[NH+](C)C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cc(F)c(F)c(F)c1 ZINC000853214187 661885184 /nfs/dbraw/zinc/88/51/84/661885184.db2.gz XTTPJOGAZIKVDO-IUODEOHRSA-N 2 2 376.444 2.687 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750867 662441167 /nfs/dbraw/zinc/44/11/67/662441167.db2.gz TZRRJXCJYJNALB-YPDDLIOESA-N 2 2 396.329 2.730 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750867 662441173 /nfs/dbraw/zinc/44/11/73/662441173.db2.gz TZRRJXCJYJNALB-YPDDLIOESA-N 2 2 396.329 2.730 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034509 662754280 /nfs/dbraw/zinc/75/42/80/662754280.db2.gz PIBRBHPOCDRAPE-OWYHZJEWSA-N 2 2 395.341 2.980 20 0 GFADLP Brc1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H]2CCOC2)c1 ZINC000872034509 662754282 /nfs/dbraw/zinc/75/42/82/662754282.db2.gz PIBRBHPOCDRAPE-OWYHZJEWSA-N 2 2 395.341 2.980 20 0 GFADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)CC1 ZINC000878484649 662897379 /nfs/dbraw/zinc/89/73/79/662897379.db2.gz USYOXFHDFQGFTJ-UHFFFAOYSA-N 2 2 394.357 2.839 20 0 GFADLP C[C@@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153305 663363464 /nfs/dbraw/zinc/36/34/64/663363464.db2.gz NXIAHBBSYVJGQW-HIFRSBDPSA-N 2 2 376.492 2.706 20 0 GFADLP C[C@@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892153305 663363468 /nfs/dbraw/zinc/36/34/68/663363468.db2.gz NXIAHBBSYVJGQW-HIFRSBDPSA-N 2 2 376.492 2.706 20 0 GFADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000893967524 663434254 /nfs/dbraw/zinc/43/42/54/663434254.db2.gz NSDNRHAQHOHJSU-UHFFFAOYSA-N 2 2 390.313 2.577 20 0 GFADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000893967524 663434260 /nfs/dbraw/zinc/43/42/60/663434260.db2.gz NSDNRHAQHOHJSU-UHFFFAOYSA-N 2 2 390.313 2.577 20 0 GFADLP C[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923286069 664627454 /nfs/dbraw/zinc/62/74/54/664627454.db2.gz GVNHTEUUXUFUKT-CYBMUJFWSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2C1 ZINC000931429343 664794724 /nfs/dbraw/zinc/79/47/24/664794724.db2.gz FOKUFZIOHADVPC-MNOVXSKESA-N 2 2 383.315 2.944 20 0 GFADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2C1 ZINC000931429343 664794725 /nfs/dbraw/zinc/79/47/25/664794725.db2.gz FOKUFZIOHADVPC-MNOVXSKESA-N 2 2 383.315 2.944 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2C1 ZINC000931429343 664794726 /nfs/dbraw/zinc/79/47/26/664794726.db2.gz FOKUFZIOHADVPC-MNOVXSKESA-N 2 2 383.315 2.944 20 0 GFADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)s4)o3)C[C@@H]2C1 ZINC000931429343 664794727 /nfs/dbraw/zinc/79/47/27/664794727.db2.gz FOKUFZIOHADVPC-MNOVXSKESA-N 2 2 383.315 2.944 20 0 GFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325337 664899054 /nfs/dbraw/zinc/89/90/54/664899054.db2.gz OQWZPXJHQJNCOD-UHFFFAOYSA-N 2 2 392.223 2.846 20 0 GFADLP Cn1c[nH+]cc1CCC[N@H+]1CCn2c(c(Br)nc2C(F)(F)F)C1 ZINC000934325337 664899057 /nfs/dbraw/zinc/89/90/57/664899057.db2.gz OQWZPXJHQJNCOD-UHFFFAOYSA-N 2 2 392.223 2.846 20 0 GFADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164690312 719753535 /nfs/dbraw/zinc/75/35/35/719753535.db2.gz ZJCFMZQFTLIRTQ-UHFFFAOYSA-N 2 2 386.471 2.563 20 0 GFADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3cc(OC)c(F)cc31)CC2 ZINC001164690312 719753545 /nfs/dbraw/zinc/75/35/45/719753545.db2.gz ZJCFMZQFTLIRTQ-UHFFFAOYSA-N 2 2 386.471 2.563 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818708 720165368 /nfs/dbraw/zinc/16/53/68/720165368.db2.gz UGKSNNCBBFUUIC-SIKLNZKXSA-N 2 2 385.556 2.652 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001164818708 720165377 /nfs/dbraw/zinc/16/53/77/720165377.db2.gz UGKSNNCBBFUUIC-SIKLNZKXSA-N 2 2 385.556 2.652 20 0 GFADLP CC(C)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]c1 ZINC001164717007 720184338 /nfs/dbraw/zinc/18/43/38/720184338.db2.gz IYEYBOMMJYJSEX-LJQANCHMSA-N 2 2 384.528 2.550 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841656 720504384 /nfs/dbraw/zinc/50/43/84/720504384.db2.gz ZHBYBWROAFGOIF-YSIASYRMSA-N 2 2 395.555 2.934 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841656 720504387 /nfs/dbraw/zinc/50/43/87/720504387.db2.gz ZHBYBWROAFGOIF-YSIASYRMSA-N 2 2 395.555 2.934 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164794516 721523028 /nfs/dbraw/zinc/52/30/28/721523028.db2.gz FEEUHHXHYNELKA-ZJOUEHCJSA-N 2 2 396.539 2.504 20 0 GFADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164794516 721523033 /nfs/dbraw/zinc/52/30/33/721523033.db2.gz FEEUHHXHYNELKA-ZJOUEHCJSA-N 2 2 396.539 2.504 20 0 GFADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)c1 ZINC001164955041 722012290 /nfs/dbraw/zinc/01/22/90/722012290.db2.gz RUTCVNXPWHXAJO-UHFFFAOYSA-N 2 2 378.524 2.964 20 0 GFADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)c1 ZINC001164955041 722012293 /nfs/dbraw/zinc/01/22/93/722012293.db2.gz RUTCVNXPWHXAJO-UHFFFAOYSA-N 2 2 378.524 2.964 20 0 GFADLP Cc1ccc2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001164996793 722233261 /nfs/dbraw/zinc/23/32/61/722233261.db2.gz JDZLEUAWMXZEFR-UHFFFAOYSA-N 2 2 388.519 2.690 20 0 GFADLP C[C@H]1SCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645189 551206677 /nfs/dbraw/zinc/20/66/77/551206677.db2.gz CZQKMANRVFHAKB-JKSUJKDBSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@H]1SCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000112645189 551206678 /nfs/dbraw/zinc/20/66/78/551206678.db2.gz CZQKMANRVFHAKB-JKSUJKDBSA-N 2 2 379.595 3.000 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123369048 551305893 /nfs/dbraw/zinc/30/58/93/551305893.db2.gz FXLIVXJXGYXPJA-OCCSQVGLSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123369048 551305895 /nfs/dbraw/zinc/30/58/95/551305895.db2.gz FXLIVXJXGYXPJA-OCCSQVGLSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123369048 551305896 /nfs/dbraw/zinc/30/58/96/551305896.db2.gz FXLIVXJXGYXPJA-OCCSQVGLSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123369048 551305897 /nfs/dbraw/zinc/30/58/97/551305897.db2.gz FXLIVXJXGYXPJA-OCCSQVGLSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Br)cs1 ZINC000364802533 563764472 /nfs/dbraw/zinc/76/44/72/563764472.db2.gz FOBBUQPGJGVWBT-DZGCQCFKSA-N 2 2 388.375 2.568 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167616384 551633576 /nfs/dbraw/zinc/63/35/76/551633576.db2.gz CKILZNSYJOSGPT-IRXDYDNUSA-N 2 2 380.330 2.796 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000172405183 551678463 /nfs/dbraw/zinc/67/84/63/551678463.db2.gz QBRIWTMNEOJXKD-UHFFFAOYSA-N 2 2 394.357 2.796 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000172405183 551678466 /nfs/dbraw/zinc/67/84/66/551678466.db2.gz QBRIWTMNEOJXKD-UHFFFAOYSA-N 2 2 394.357 2.796 20 0 GFADLP C[C@@H](C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C[NH+]1CCOCC1 ZINC000183801777 552319761 /nfs/dbraw/zinc/31/97/61/552319761.db2.gz AJVNWDYRZVMXAH-ZDUSSCGKSA-N 2 2 384.311 2.632 20 0 GFADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000183916957 552322679 /nfs/dbraw/zinc/32/26/79/552322679.db2.gz GHTYUTBXYVUBKS-UHFFFAOYSA-N 2 2 378.567 2.682 20 0 GFADLP C[N@H+](Cc1cncc(Br)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277676 552441317 /nfs/dbraw/zinc/44/13/17/552441317.db2.gz PDICQAIPLFIBHV-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[N@@H+](Cc1cncc(Br)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188277676 552441319 /nfs/dbraw/zinc/44/13/19/552441319.db2.gz PDICQAIPLFIBHV-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1cncc(Br)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188277676 552441321 /nfs/dbraw/zinc/44/13/21/552441321.db2.gz PDICQAIPLFIBHV-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP C[NH+](Cc1cncc(Br)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188277676 552441322 /nfs/dbraw/zinc/44/13/22/552441322.db2.gz PDICQAIPLFIBHV-IBGZPJMESA-N 2 2 390.325 2.913 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491329 553108383 /nfs/dbraw/zinc/10/83/83/553108383.db2.gz RYAZPIJVOGQNLM-CABCVRRESA-N 2 2 376.302 2.951 20 0 GFADLP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491329 553108385 /nfs/dbraw/zinc/10/83/85/553108385.db2.gz RYAZPIJVOGQNLM-CABCVRRESA-N 2 2 376.302 2.951 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1Cl ZINC000261995895 553164049 /nfs/dbraw/zinc/16/40/49/553164049.db2.gz KTYQAKGDSXGIHM-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1Cl ZINC000261995895 553164051 /nfs/dbraw/zinc/16/40/51/553164051.db2.gz KTYQAKGDSXGIHM-CQSZACIVSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000262148413 553166396 /nfs/dbraw/zinc/16/63/96/553166396.db2.gz ZSOBJHHYKRQSBP-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1Cl ZINC000262148413 553166399 /nfs/dbraw/zinc/16/63/99/553166399.db2.gz ZSOBJHHYKRQSBP-AWEZNQCLSA-N 2 2 388.737 2.922 20 0 GFADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000295391847 563245263 /nfs/dbraw/zinc/24/52/63/563245263.db2.gz LJPKTVLFOHJDRV-CQSZACIVSA-N 2 2 398.345 2.538 20 0 GFADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374703 563263162 /nfs/dbraw/zinc/26/31/62/563263162.db2.gz SFBUAOUIIKFHSJ-AYMQEEERSA-N 2 2 382.346 2.772 20 0 GFADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Br)c3F)CC2)CC1 ZINC000295998361 563270617 /nfs/dbraw/zinc/27/06/17/563270617.db2.gz KTUGWZXUTDRBNQ-UHFFFAOYSA-N 2 2 398.320 2.574 20 0 GFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280038537 563319882 /nfs/dbraw/zinc/31/98/82/563319882.db2.gz IRPCJMUBFJLVSN-VHSXEESVSA-N 2 2 377.297 2.577 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640088 563345400 /nfs/dbraw/zinc/34/54/00/563345400.db2.gz UWVALKRWLXYBEK-MGPQQGTHSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@@H](C)[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640088 563345401 /nfs/dbraw/zinc/34/54/01/563345401.db2.gz UWVALKRWLXYBEK-MGPQQGTHSA-N 2 2 389.359 2.528 20 0 GFADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423207032 563358669 /nfs/dbraw/zinc/35/86/69/563358669.db2.gz GKPVUKBJPVCCMT-GXTWGEPZSA-N 2 2 378.318 2.988 20 0 GFADLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423351820 563360396 /nfs/dbraw/zinc/36/03/96/563360396.db2.gz ZRJXXYWGHLRAOU-MEBBXXQBSA-N 2 2 380.341 2.681 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1Br ZINC000423529430 563362086 /nfs/dbraw/zinc/36/20/86/563362086.db2.gz VMQBYMJHMIAVRN-MWLCHTKSSA-N 2 2 378.108 2.851 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c[nH+]c12 ZINC000283960165 563460464 /nfs/dbraw/zinc/46/04/64/563460464.db2.gz KOUGJBZUINAXFH-UKRRQHHQSA-N 2 2 384.318 2.653 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000377345843 563471393 /nfs/dbraw/zinc/47/13/93/563471393.db2.gz NEXRGCJKMHTIOE-AWEZNQCLSA-N 2 2 379.551 2.711 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(Br)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369550 563504719 /nfs/dbraw/zinc/50/47/19/563504719.db2.gz KIZAAASWMOZFPX-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP C[C@H]1CN(C(=O)c2ccc(Br)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369550 563504720 /nfs/dbraw/zinc/50/47/20/563504720.db2.gz KIZAAASWMOZFPX-AWEZNQCLSA-N 2 2 380.330 2.690 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)[nH+]cc1Br ZINC000332039642 563572842 /nfs/dbraw/zinc/57/28/42/563572842.db2.gz KHQORABMMRLRGB-QWHCGFSZSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)[nH+]cc1Br ZINC000332039642 563572846 /nfs/dbraw/zinc/57/28/46/563572846.db2.gz KHQORABMMRLRGB-QWHCGFSZSA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)[nH+]cc1Br ZINC000332271681 563589433 /nfs/dbraw/zinc/58/94/33/563589433.db2.gz DQBLXOYCZJZTJW-GFCCVEGCSA-N 2 2 384.322 2.858 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000332622065 563608032 /nfs/dbraw/zinc/60/80/32/563608032.db2.gz CFUPIJUDXVIDEJ-GFCCVEGCSA-N 2 2 377.286 2.908 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361085471 563697176 /nfs/dbraw/zinc/69/71/76/563697176.db2.gz FVKQBBHABHUMCT-GFCCVEGCSA-N 2 2 385.339 2.816 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361085471 563697178 /nfs/dbraw/zinc/69/71/78/563697178.db2.gz FVKQBBHABHUMCT-GFCCVEGCSA-N 2 2 385.339 2.816 20 0 GFADLP Cc1csc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000440480954 563743276 /nfs/dbraw/zinc/74/32/76/563743276.db2.gz SQMYTQVIKMFFFU-UHFFFAOYSA-N 2 2 378.567 2.682 20 0 GFADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468894 563754326 /nfs/dbraw/zinc/75/43/26/563754326.db2.gz UOUGWIAOFIYCDS-ZOWXZIJZSA-N 2 2 379.555 2.735 20 0 GFADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)C(=O)Nc3nccs3)[C@@H](C)C2)s1 ZINC000364468894 563754329 /nfs/dbraw/zinc/75/43/29/563754329.db2.gz UOUGWIAOFIYCDS-ZOWXZIJZSA-N 2 2 379.555 2.735 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415096455 563758931 /nfs/dbraw/zinc/75/89/31/563758931.db2.gz PZRJZINILSZJGP-ACJLOTCBSA-N 2 2 379.298 2.948 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128487 563760586 /nfs/dbraw/zinc/76/05/86/563760586.db2.gz OBPGKRRBEZKYSN-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)nn1 ZINC000415128487 563760588 /nfs/dbraw/zinc/76/05/88/563760588.db2.gz OBPGKRRBEZKYSN-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccnc(Br)c3)CC2)CC1 ZINC000293879119 563826959 /nfs/dbraw/zinc/82/69/59/563826959.db2.gz TXYHZJLFQGRGFQ-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP O=C1[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1c1cccc(Br)c1 ZINC000447071477 563874218 /nfs/dbraw/zinc/87/42/18/563874218.db2.gz ZBEDMVIFVFQCHK-INIZCTEOSA-N 2 2 385.265 2.992 20 0 GFADLP Brc1cnn(CCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000368575452 563874989 /nfs/dbraw/zinc/87/49/89/563874989.db2.gz NTDDXBOSGNHASP-UHFFFAOYSA-N 2 2 378.318 2.685 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449390419 564183967 /nfs/dbraw/zinc/18/39/67/564183967.db2.gz WATFZBXNBIRKTF-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449390419 564183968 /nfs/dbraw/zinc/18/39/68/564183968.db2.gz WATFZBXNBIRKTF-PBHICJAKSA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602132 564192157 /nfs/dbraw/zinc/19/21/57/564192157.db2.gz SVIRJJPSDBRAFC-SNUQEOBHSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449602132 564192158 /nfs/dbraw/zinc/19/21/58/564192158.db2.gz SVIRJJPSDBRAFC-SNUQEOBHSA-N 2 2 385.321 2.812 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449685879 564196883 /nfs/dbraw/zinc/19/68/83/564196883.db2.gz WJVGRFCSDGSSLH-JKIFEVAISA-N 2 2 397.357 2.824 20 0 GFADLP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449685879 564196885 /nfs/dbraw/zinc/19/68/85/564196885.db2.gz WJVGRFCSDGSSLH-JKIFEVAISA-N 2 2 397.357 2.824 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000539328092 564216923 /nfs/dbraw/zinc/21/69/23/564216923.db2.gz LNIPJOGACYFYMK-UHFFFAOYSA-N 2 2 394.357 2.716 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(Br)cc(C)c3C2)CC1 ZINC000539328092 564216925 /nfs/dbraw/zinc/21/69/25/564216925.db2.gz LNIPJOGACYFYMK-UHFFFAOYSA-N 2 2 394.357 2.716 20 0 GFADLP O=C(CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000450400115 564230715 /nfs/dbraw/zinc/23/07/15/564230715.db2.gz FMSPZZXFHHELLR-UHFFFAOYSA-N 2 2 391.313 2.953 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729780 564247426 /nfs/dbraw/zinc/24/74/26/564247426.db2.gz TUKKODSBZPRBDX-HNAYVOBHSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564729780 564247429 /nfs/dbraw/zinc/24/74/29/564247429.db2.gz TUKKODSBZPRBDX-HNAYVOBHSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729776 564247439 /nfs/dbraw/zinc/24/74/39/564247439.db2.gz TUKKODSBZPRBDX-BEFAXECRSA-N 2 2 394.357 2.872 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564729776 564247441 /nfs/dbraw/zinc/24/74/41/564247441.db2.gz TUKKODSBZPRBDX-BEFAXECRSA-N 2 2 394.357 2.872 20 0 GFADLP CC(C)[C@H](C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510875151 564348552 /nfs/dbraw/zinc/34/85/52/564348552.db2.gz VQUDYKBMTVPIEE-AWEZNQCLSA-N 2 2 397.317 2.902 20 0 GFADLP CC(C)[C@H](C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510875151 564348556 /nfs/dbraw/zinc/34/85/56/564348556.db2.gz VQUDYKBMTVPIEE-AWEZNQCLSA-N 2 2 397.317 2.902 20 0 GFADLP Cc1[nH+]ccn1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510951740 564351133 /nfs/dbraw/zinc/35/11/33/564351133.db2.gz XYONFYQHHFRZOH-UHFFFAOYSA-N 3 2 378.274 2.946 20 0 GFADLP Cc1[nH+]ccn1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510951740 564351136 /nfs/dbraw/zinc/35/11/36/564351136.db2.gz XYONFYQHHFRZOH-UHFFFAOYSA-N 3 2 378.274 2.946 20 0 GFADLP Cc1[nH+]ccn1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510951740 564351137 /nfs/dbraw/zinc/35/11/37/564351137.db2.gz XYONFYQHHFRZOH-UHFFFAOYSA-N 2 2 378.274 2.946 20 0 GFADLP Cc1[nH+]ccn1CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510951740 564351139 /nfs/dbraw/zinc/35/11/39/564351139.db2.gz XYONFYQHHFRZOH-UHFFFAOYSA-N 2 2 378.274 2.946 20 0 GFADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000544143820 564377112 /nfs/dbraw/zinc/37/71/12/564377112.db2.gz OOSVQDWOOGRBAD-GOSISDBHSA-N 2 2 394.357 2.620 20 0 GFADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000544143820 564377115 /nfs/dbraw/zinc/37/71/15/564377115.db2.gz OOSVQDWOOGRBAD-GOSISDBHSA-N 2 2 394.357 2.620 20 0 GFADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652991 564381448 /nfs/dbraw/zinc/38/14/48/564381448.db2.gz BDGFZLPHZFZFEH-HIFRSBDPSA-N 2 2 378.318 2.992 20 0 GFADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478210747 564396786 /nfs/dbraw/zinc/39/67/86/564396786.db2.gz OIOOZJAGKZOQCA-UHFFFAOYSA-N 2 2 381.293 2.911 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(CC[NH+](C)C)C(C)C)[nH+]c12 ZINC000545411229 564421628 /nfs/dbraw/zinc/42/16/28/564421628.db2.gz IQKXDXZVJTTZKK-UHFFFAOYSA-N 2 2 396.333 2.887 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058395 564423838 /nfs/dbraw/zinc/42/38/38/564423838.db2.gz JLBVCYQSHVTXPN-DCAQKATOSA-N 2 2 380.341 2.774 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058395 564423841 /nfs/dbraw/zinc/42/38/41/564423841.db2.gz JLBVCYQSHVTXPN-DCAQKATOSA-N 2 2 380.341 2.774 20 0 GFADLP C[N@H+](C[C@@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568219 564424908 /nfs/dbraw/zinc/42/49/08/564424908.db2.gz LJOUOBWZULDPNX-QGZVFWFLSA-N 2 2 386.367 2.609 20 0 GFADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000568568219 564424914 /nfs/dbraw/zinc/42/49/14/564424914.db2.gz LJOUOBWZULDPNX-QGZVFWFLSA-N 2 2 386.367 2.609 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081623 564425349 /nfs/dbraw/zinc/42/53/49/564425349.db2.gz ROJPUDNEEIKTHK-DLBZAZTESA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479081623 564425350 /nfs/dbraw/zinc/42/53/50/564425350.db2.gz ROJPUDNEEIKTHK-DLBZAZTESA-N 2 2 398.320 2.969 20 0 GFADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111548 564446990 /nfs/dbraw/zinc/44/69/90/564446990.db2.gz OVRZNFOWRWAQIC-ROUUACIJSA-N 2 2 394.357 2.700 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453111548 564446996 /nfs/dbraw/zinc/44/69/96/564446996.db2.gz OVRZNFOWRWAQIC-ROUUACIJSA-N 2 2 394.357 2.700 20 0 GFADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000569385996 564460741 /nfs/dbraw/zinc/46/07/41/564460741.db2.gz NISXZUNUBWNXEU-OLZOCXBDSA-N 2 2 386.309 2.791 20 0 GFADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227108 564464580 /nfs/dbraw/zinc/46/45/80/564464580.db2.gz MWYPGZSMNZAVFY-WFASDCNBSA-N 2 2 387.343 2.599 20 0 GFADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)C1 ZINC000480227108 564464584 /nfs/dbraw/zinc/46/45/84/564464584.db2.gz MWYPGZSMNZAVFY-WFASDCNBSA-N 2 2 387.343 2.599 20 0 GFADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278366 564481418 /nfs/dbraw/zinc/48/14/18/564481418.db2.gz GMCWKSOFSJMCQM-IINYFYTJSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278366 564481421 /nfs/dbraw/zinc/48/14/21/564481421.db2.gz GMCWKSOFSJMCQM-IINYFYTJSA-N 2 2 392.135 2.929 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000570428550 564505494 /nfs/dbraw/zinc/50/54/94/564505494.db2.gz AQHYPYOXAINUJG-CYBMUJFWSA-N 2 2 394.317 2.594 20 0 GFADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(F)c2Br)C1=O ZINC000519521733 564579813 /nfs/dbraw/zinc/57/98/13/564579813.db2.gz LPQJUICOTJISJJ-AWEZNQCLSA-N 2 2 395.276 2.603 20 0 GFADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457961017 564681368 /nfs/dbraw/zinc/68/13/68/564681368.db2.gz YSPRTFRASGXOSA-HNNXBMFYSA-N 2 2 394.317 2.723 20 0 GFADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457961017 564681371 /nfs/dbraw/zinc/68/13/71/564681371.db2.gz YSPRTFRASGXOSA-HNNXBMFYSA-N 2 2 394.317 2.723 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000459710926 564758719 /nfs/dbraw/zinc/75/87/19/564758719.db2.gz UYKCNYOIWKDQKX-SUYBPPKGSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000459710926 564758723 /nfs/dbraw/zinc/75/87/23/564758723.db2.gz UYKCNYOIWKDQKX-SUYBPPKGSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000490038546 564761217 /nfs/dbraw/zinc/76/12/17/564761217.db2.gz HZYYXFXFVAZDAW-JTQLQIEISA-N 2 2 376.448 2.556 20 0 GFADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1Cl ZINC000554847384 564774514 /nfs/dbraw/zinc/77/45/14/564774514.db2.gz BYHHUAWXESJBQC-UHFFFAOYSA-N 2 2 388.737 2.698 20 0 GFADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1Cl ZINC000554847384 564774517 /nfs/dbraw/zinc/77/45/17/564774517.db2.gz BYHHUAWXESJBQC-UHFFFAOYSA-N 2 2 388.737 2.698 20 0 GFADLP CS(=O)(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000463136558 564870655 /nfs/dbraw/zinc/87/06/55/564870655.db2.gz LCMDVOZXXIDXBF-UHFFFAOYSA-N 2 2 379.448 2.565 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226825 564873204 /nfs/dbraw/zinc/87/32/04/564873204.db2.gz TXCPMIWJSJSGLT-LBPRGKRZSA-N 2 2 386.244 2.615 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)nn1 ZINC000530226825 564873205 /nfs/dbraw/zinc/87/32/05/564873205.db2.gz TXCPMIWJSJSGLT-LBPRGKRZSA-N 2 2 386.244 2.615 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000583270976 564883241 /nfs/dbraw/zinc/88/32/41/564883241.db2.gz ISPDXLUIFKMRGQ-INIZCTEOSA-N 2 2 385.346 2.568 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1c(Cl)cccc1Cl ZINC000498775460 564908857 /nfs/dbraw/zinc/90/88/57/564908857.db2.gz OMVGSVZWHPBYEG-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1c(Cl)cccc1Cl ZINC000498775460 564908862 /nfs/dbraw/zinc/90/88/62/564908862.db2.gz OMVGSVZWHPBYEG-UHFFFAOYSA-N 2 2 388.339 2.857 20 0 GFADLP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1CCSCC1 ZINC000468202217 564980053 /nfs/dbraw/zinc/98/00/53/564980053.db2.gz PFAUHEIZANOYAJ-GFCCVEGCSA-N 2 2 386.359 2.887 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000469271069 565011355 /nfs/dbraw/zinc/01/13/55/565011355.db2.gz YBOHZJSJUYXQRW-UHFFFAOYSA-N 2 2 385.580 2.664 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)sc2C1 ZINC000469271069 565011357 /nfs/dbraw/zinc/01/13/57/565011357.db2.gz YBOHZJSJUYXQRW-UHFFFAOYSA-N 2 2 385.580 2.664 20 0 GFADLP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000561897517 565012272 /nfs/dbraw/zinc/01/22/72/565012272.db2.gz ZNRAKELFRBSZEQ-GASCZTMLSA-N 2 2 398.345 2.867 20 0 GFADLP C[C@@H]1C[N@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C[C@H](C)O1 ZINC000561897517 565012276 /nfs/dbraw/zinc/01/22/76/565012276.db2.gz ZNRAKELFRBSZEQ-GASCZTMLSA-N 2 2 398.345 2.867 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508920 565014619 /nfs/dbraw/zinc/01/46/19/565014619.db2.gz XONVGBXVXVWFKR-LSDHHAIUSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000535508920 565014623 /nfs/dbraw/zinc/01/46/23/565014623.db2.gz XONVGBXVXVWFKR-LSDHHAIUSA-N 2 2 384.293 2.505 20 0 GFADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411677 565018315 /nfs/dbraw/zinc/01/83/15/565018315.db2.gz QJXCIFLPNJHPDD-SJLPKXTDSA-N 2 2 392.341 2.939 20 0 GFADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503411677 565018318 /nfs/dbraw/zinc/01/83/18/565018318.db2.gz QJXCIFLPNJHPDD-SJLPKXTDSA-N 2 2 392.341 2.939 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(Br)ccc21 ZINC000584499418 565083659 /nfs/dbraw/zinc/08/36/59/565083659.db2.gz KTKMSVQDFDFOAP-WCQYABFASA-N 2 2 396.310 2.538 20 0 GFADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc(Br)ccc21 ZINC000584499418 565083664 /nfs/dbraw/zinc/08/36/64/565083664.db2.gz KTKMSVQDFDFOAP-WCQYABFASA-N 2 2 396.310 2.538 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838925 565126118 /nfs/dbraw/zinc/12/61/18/565126118.db2.gz QPHFISFZGRYSDW-BRWVUGGUSA-N 2 2 393.329 2.780 20 0 GFADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn2ccc(Br)cc2n1 ZINC000685838925 565126123 /nfs/dbraw/zinc/12/61/23/565126123.db2.gz QPHFISFZGRYSDW-BRWVUGGUSA-N 2 2 393.329 2.780 20 0 GFADLP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657855711 565133931 /nfs/dbraw/zinc/13/39/31/565133931.db2.gz GHRJRULXFZERPP-GFCCVEGCSA-N 2 2 377.838 2.653 20 0 GFADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Br)cc1F ZINC000638987273 565219694 /nfs/dbraw/zinc/21/96/94/565219694.db2.gz OBHRPQKRCLIHLL-UHFFFAOYSA-N 2 2 379.233 2.645 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]CCCc3cnn(C)c3)[nH+]c12 ZINC000639062107 565223048 /nfs/dbraw/zinc/22/30/48/565223048.db2.gz QSOFAAYGXJNDLC-UHFFFAOYSA-N 2 2 376.302 2.904 20 0 GFADLP COc1ncc(Br)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662281232 565357547 /nfs/dbraw/zinc/35/75/47/565357547.db2.gz KPJWJEBJOUIQOS-JKSUJKDBSA-N 2 2 384.318 2.571 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662282951 565359522 /nfs/dbraw/zinc/35/95/22/565359522.db2.gz FFUMSKWTOBKMSQ-XHSDSOJGSA-N 2 2 384.318 2.714 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662282951 565359527 /nfs/dbraw/zinc/35/95/27/565359527.db2.gz FFUMSKWTOBKMSQ-XHSDSOJGSA-N 2 2 384.318 2.714 20 0 GFADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291556 565359605 /nfs/dbraw/zinc/35/96/05/565359605.db2.gz IBAALLXRPFBUMO-NVXWUHKLSA-N 2 2 380.330 2.687 20 0 GFADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344465 565361500 /nfs/dbraw/zinc/36/15/00/565361500.db2.gz YYCRURYIJNISMQ-SFHVURJKSA-N 2 2 388.309 2.793 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352558 565362293 /nfs/dbraw/zinc/36/22/93/565362293.db2.gz XFQBOGZSXURQSP-SUMWQHHRSA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352558 565362294 /nfs/dbraw/zinc/36/22/94/565362294.db2.gz XFQBOGZSXURQSP-SUMWQHHRSA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352556 565362312 /nfs/dbraw/zinc/36/23/12/565362312.db2.gz XFQBOGZSXURQSP-GUYCJALGSA-N 2 2 388.339 2.727 20 0 GFADLP C[NH2+][C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1cccc(Cl)c1Cl ZINC000662352556 565362314 /nfs/dbraw/zinc/36/23/14/565362314.db2.gz XFQBOGZSXURQSP-GUYCJALGSA-N 2 2 388.339 2.727 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3ccccc3Br)sc2C1 ZINC000662367581 565363514 /nfs/dbraw/zinc/36/35/14/565363514.db2.gz LHUNFUCKTKANSS-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3ccccc3Br)sc2C1 ZINC000662367581 565363515 /nfs/dbraw/zinc/36/35/15/565363515.db2.gz LHUNFUCKTKANSS-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP C[NH2+][C@H](C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000662367777 565363545 /nfs/dbraw/zinc/36/35/45/565363545.db2.gz GLKFNYFDMYMUJC-DCGLDWPTSA-N 2 2 388.339 2.869 20 0 GFADLP O=C(N1CC[NH+](Cc2ccccc2Cl)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662787176 565385016 /nfs/dbraw/zinc/38/50/16/565385016.db2.gz IHWASCTZCKTKPP-MRXNPFEDSA-N 2 2 375.822 2.526 20 0 GFADLP Cc1nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Br)c(C)[nH+]1 ZINC000663798366 565437042 /nfs/dbraw/zinc/43/70/42/565437042.db2.gz XRMSVUZSGIQATL-UHFFFAOYSA-N 2 2 396.377 2.710 20 0 GFADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548111 565481411 /nfs/dbraw/zinc/48/14/11/565481411.db2.gz PBOCOLFXTBAPPS-STQMWFEESA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000644548111 565481419 /nfs/dbraw/zinc/48/14/19/565481419.db2.gz PBOCOLFXTBAPPS-STQMWFEESA-N 2 2 377.710 2.526 20 0 GFADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000644567916 565482881 /nfs/dbraw/zinc/48/28/81/565482881.db2.gz OFVFVGWBQRTISM-RKVPGOIHSA-N 2 2 397.357 2.540 20 0 GFADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656971 565523502 /nfs/dbraw/zinc/52/35/02/565523502.db2.gz GZQVPAUJDHJPME-CQSZACIVSA-N 2 2 378.318 2.851 20 0 GFADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656971 565523506 /nfs/dbraw/zinc/52/35/06/565523506.db2.gz GZQVPAUJDHJPME-CQSZACIVSA-N 2 2 378.318 2.851 20 0 GFADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000646996898 565630988 /nfs/dbraw/zinc/63/09/88/565630988.db2.gz CBTOFIULNNHHSZ-ZACQAIPSSA-N 2 2 380.330 2.972 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521175 565635524 /nfs/dbraw/zinc/63/55/24/565635524.db2.gz ZDNGEBFJFYHNIY-GFCCVEGCSA-N 2 2 378.929 2.848 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3sc4ncccc4c3Cl)C2)CC1 ZINC000625521175 565635525 /nfs/dbraw/zinc/63/55/25/565635525.db2.gz ZDNGEBFJFYHNIY-GFCCVEGCSA-N 2 2 378.929 2.848 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977564 565686529 /nfs/dbraw/zinc/68/65/29/565686529.db2.gz DPMVPHUPACGOAJ-XNJGSVPQSA-N 2 2 398.320 2.826 20 0 GFADLP NC(=O)[C@H](c1ccc(Br)cc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977564 565686531 /nfs/dbraw/zinc/68/65/31/565686531.db2.gz DPMVPHUPACGOAJ-XNJGSVPQSA-N 2 2 398.320 2.826 20 0 GFADLP COc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777465 565749436 /nfs/dbraw/zinc/74/94/36/565749436.db2.gz UKYWHRNTPCXLJZ-PWSUYJOCSA-N 2 2 390.265 2.539 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714700 565833268 /nfs/dbraw/zinc/83/32/68/565833268.db2.gz ZNUUTBKSZCUBBT-CZUORRHYSA-N 2 2 379.302 2.635 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C[C@H]1C[NH3+] ZINC000650714700 565833273 /nfs/dbraw/zinc/83/32/73/565833273.db2.gz ZNUUTBKSZCUBBT-CZUORRHYSA-N 2 2 379.302 2.635 20 0 GFADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137745 565892661 /nfs/dbraw/zinc/89/26/61/565892661.db2.gz HYKPDMMQNXVRTM-DLBZAZTESA-N 2 2 380.330 2.796 20 0 GFADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000675137745 565892668 /nfs/dbraw/zinc/89/26/68/565892668.db2.gz HYKPDMMQNXVRTM-DLBZAZTESA-N 2 2 380.330 2.796 20 0 GFADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000653086675 565954166 /nfs/dbraw/zinc/95/41/66/565954166.db2.gz ZFDUBZZZNTVQCL-ZIAGYGMSSA-N 2 2 386.359 2.723 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911991 566095072 /nfs/dbraw/zinc/09/50/72/566095072.db2.gz QDPUSCKVIMZOQW-SMDDNHRTSA-N 2 2 378.826 2.618 20 0 GFADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917948 566095768 /nfs/dbraw/zinc/09/57/68/566095768.db2.gz BURRDNAPMSSIRZ-FZMZJTMJSA-N 2 2 378.826 2.618 20 0 GFADLP CC(C)n1cc[nH+]c1CNc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000656776381 566165232 /nfs/dbraw/zinc/16/52/32/566165232.db2.gz JMTGTRSKRQYJBO-UHFFFAOYSA-N 2 2 393.333 2.985 20 0 GFADLP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1-c1nn[nH]n1 ZINC000821803359 599393595 /nfs/dbraw/zinc/39/35/95/599393595.db2.gz FRHDWYJLILZMQX-CQSZACIVSA-N 2 2 375.436 2.912 20 0 GFADLP c1ccc(N2CCC([NH2+][C@@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)[nH+]c1 ZINC000826521840 608502579 /nfs/dbraw/zinc/50/25/79/608502579.db2.gz AHVXJIKTKQFXJY-LJQANCHMSA-N 2 2 375.480 2.898 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccs1 ZINC000053529842 654748559 /nfs/dbraw/zinc/74/85/59/654748559.db2.gz MMWUTKMVYDGAHC-MRXNPFEDSA-N 2 2 378.567 2.940 20 0 GFADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772374 /nfs/dbraw/zinc/77/23/74/654772374.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772379 /nfs/dbraw/zinc/77/23/79/654772379.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772383 /nfs/dbraw/zinc/77/23/83/654772383.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772389 /nfs/dbraw/zinc/77/23/89/654772389.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 2 2 393.329 2.780 20 0 GFADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(Br)c2)CC1 ZINC000271840392 655096511 /nfs/dbraw/zinc/09/65/11/655096511.db2.gz SXMAHKISZDJSEH-UHFFFAOYSA-N 2 2 399.329 2.965 20 0 GFADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340732 655185347 /nfs/dbraw/zinc/18/53/47/655185347.db2.gz PQXQLPBWBIHDQF-MJGOQNOKSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340732 655185350 /nfs/dbraw/zinc/18/53/50/655185350.db2.gz PQXQLPBWBIHDQF-MJGOQNOKSA-N 2 2 390.325 2.817 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973702 655257150 /nfs/dbraw/zinc/25/71/50/655257150.db2.gz XHYDXHNNEWWELL-DOMZBBRYSA-N 2 2 386.359 2.891 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000275973702 655257145 /nfs/dbraw/zinc/25/71/45/655257145.db2.gz XHYDXHNNEWWELL-DOMZBBRYSA-N 2 2 386.359 2.891 20 0 GFADLP C[N@H+](CCCn1cc[nH+]c1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000767758478 656218794 /nfs/dbraw/zinc/21/87/94/656218794.db2.gz BYJXMLWFWXYFIL-UHFFFAOYSA-N 2 2 375.270 2.940 20 0 GFADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000767758478 656218798 /nfs/dbraw/zinc/21/87/98/656218798.db2.gz BYJXMLWFWXYFIL-UHFFFAOYSA-N 2 2 375.270 2.940 20 0 GFADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNc2cc[nH+]cc2Br)CC1 ZINC000768493836 656240192 /nfs/dbraw/zinc/24/01/92/656240192.db2.gz JVFVYNZTFOMPPP-UHFFFAOYSA-N 2 2 399.333 2.621 20 0 GFADLP CC(C)[C@@H](C[NH2+][C@H](C)c1nc(Br)ccc1F)N1CC[NH+](C)CC1 ZINC000788520648 657736789 /nfs/dbraw/zinc/73/67/89/657736789.db2.gz SQBVKDQGAQIORC-UKRRQHHQSA-N 2 2 387.341 2.906 20 0 GFADLP CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845675752 661489662 /nfs/dbraw/zinc/48/96/62/661489662.db2.gz KFWIYISSFIBVDY-GOEBONIOSA-N 2 2 391.387 2.770 20 0 GFADLP CN(C(=O)NCCC[C@H]1CC1(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845675752 661489665 /nfs/dbraw/zinc/48/96/65/661489665.db2.gz KFWIYISSFIBVDY-GOEBONIOSA-N 2 2 391.387 2.770 20 0 GFADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009529 661849125 /nfs/dbraw/zinc/84/91/25/661849125.db2.gz MSGJBUCDZMQMBS-MSOLQXFVSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009529 661849127 /nfs/dbraw/zinc/84/91/27/661849127.db2.gz MSGJBUCDZMQMBS-MSOLQXFVSA-N 2 2 383.330 2.669 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCF)C1)CC[N@H+]1CCC[C@H](CCF)C1 ZINC000852533870 661866820 /nfs/dbraw/zinc/86/68/20/661866820.db2.gz YSRASUNFKKEOST-HDICACEKSA-N 2 2 380.545 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@@H](CCF)C1)CC[N@@H+]1CCC[C@H](CCF)C1 ZINC000852533870 661866821 /nfs/dbraw/zinc/86/68/21/661866821.db2.gz YSRASUNFKKEOST-HDICACEKSA-N 2 2 380.545 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@H](CCF)C1)CC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852533870 661866823 /nfs/dbraw/zinc/86/68/23/661866823.db2.gz YSRASUNFKKEOST-HDICACEKSA-N 2 2 380.545 2.544 20 0 GFADLP O=S(=O)(CC[NH+]1CCC[C@H](CCF)C1)CC[N@H+]1CCC[C@@H](CCF)C1 ZINC000852533870 661866826 /nfs/dbraw/zinc/86/68/26/661866826.db2.gz YSRASUNFKKEOST-HDICACEKSA-N 2 2 380.545 2.544 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000877985492 662887637 /nfs/dbraw/zinc/88/76/37/662887637.db2.gz ZTZCAPLPZMYDIH-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000877985492 662887638 /nfs/dbraw/zinc/88/76/38/662887638.db2.gz ZTZCAPLPZMYDIH-QGZVFWFLSA-N 2 2 380.330 2.796 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000884204894 663067024 /nfs/dbraw/zinc/06/70/24/663067024.db2.gz HBQSLQWDHKMJHO-OAHLLOKOSA-N 2 2 378.270 2.786 20 0 GFADLP [NH3+][C@@H](CNC1CC[NH+](Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929129 663812217 /nfs/dbraw/zinc/81/22/17/663812217.db2.gz AQCFHGOXRCFEIE-CQSZACIVSA-N 2 2 376.289 2.986 20 0 GFADLP [NH3+][C@@H](C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1)CC(F)F ZINC000903929129 663812219 /nfs/dbraw/zinc/81/22/19/663812219.db2.gz AQCFHGOXRCFEIE-CQSZACIVSA-N 2 2 376.289 2.986 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(Br)o1 ZINC000918701015 664502975 /nfs/dbraw/zinc/50/29/75/664502975.db2.gz RWDGOFYRNYUQQF-ALCCZGGFSA-N 2 2 384.318 2.540 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(Br)o1 ZINC000918701015 664502979 /nfs/dbraw/zinc/50/29/79/664502979.db2.gz RWDGOFYRNYUQQF-ALCCZGGFSA-N 2 2 384.318 2.540 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(Cl)s4)C[C@H]32)CC[N@@H+]1C ZINC001075813419 677675948 /nfs/dbraw/zinc/67/59/48/677675948.db2.gz DTHXNBUMHBOMHE-ARLBYUKCSA-N 2 2 382.961 2.560 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnc(Cl)s4)C[C@H]32)CC[N@H+]1C ZINC001075813419 677675949 /nfs/dbraw/zinc/67/59/49/677675949.db2.gz DTHXNBUMHBOMHE-ARLBYUKCSA-N 2 2 382.961 2.560 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(Cl)s4)C[C@H]32)CC[NH+]1C ZINC001075813419 677675950 /nfs/dbraw/zinc/67/59/50/677675950.db2.gz DTHXNBUMHBOMHE-ARLBYUKCSA-N 2 2 382.961 2.560 20 0 GFADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(Cl)s4)C[C@H]32)CC[NH+]1C ZINC001075813419 677675951 /nfs/dbraw/zinc/67/59/51/677675951.db2.gz DTHXNBUMHBOMHE-ARLBYUKCSA-N 2 2 382.961 2.560 20 0 GFADLP CCOC(=O)C1CC[NH+](C2CCN(c3nc(NC4CC4)c(C)c[nH+]3)CC2)CC1 ZINC001164619848 719020625 /nfs/dbraw/zinc/02/06/25/719020625.db2.gz XCXLHFLGLMISNK-UHFFFAOYSA-N 2 2 387.528 2.603 20 0 GFADLP CCCc1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC001164833022 720328281 /nfs/dbraw/zinc/32/82/81/720328281.db2.gz VVSYZGPZYWHEBS-UXHICEINSA-N 2 2 385.556 2.649 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000122228089 551296227 /nfs/dbraw/zinc/29/62/27/551296227.db2.gz KYJPQWFZOKQVJD-UHFFFAOYSA-N 2 2 396.333 2.524 20 0 GFADLP Cc1ccc(Br)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175217773 552118018 /nfs/dbraw/zinc/11/80/18/552118018.db2.gz OVMCTFYMLGVQMA-UHFFFAOYSA-N 2 2 383.334 2.905 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000177157971 552150669 /nfs/dbraw/zinc/15/06/69/552150669.db2.gz TWURGPIJAUIOGQ-ROUUACIJSA-N 2 2 394.357 2.695 20 0 GFADLP C[NH+]1CCC([N@H+](CCO)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000178873739 552178255 /nfs/dbraw/zinc/17/82/55/552178255.db2.gz MLXQNMBIQHCXKJ-UHFFFAOYSA-N 2 2 393.329 2.523 20 0 GFADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000178873739 552178257 /nfs/dbraw/zinc/17/82/57/552178257.db2.gz MLXQNMBIQHCXKJ-UHFFFAOYSA-N 2 2 393.329 2.523 20 0 GFADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)CC1 ZINC000182654634 552289913 /nfs/dbraw/zinc/28/99/13/552289913.db2.gz AXZUELXHZABGCM-UHFFFAOYSA-N 2 2 385.339 2.765 20 0 GFADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237229626 553075934 /nfs/dbraw/zinc/07/59/34/553075934.db2.gz SJOBVKDEEZDOHM-MRXNPFEDSA-N 2 2 376.551 2.809 20 0 GFADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000237229626 553075936 /nfs/dbraw/zinc/07/59/36/553075936.db2.gz SJOBVKDEEZDOHM-MRXNPFEDSA-N 2 2 376.551 2.809 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000263653327 553190196 /nfs/dbraw/zinc/19/01/96/553190196.db2.gz DTHCVYBILCCBKN-OAHLLOKOSA-N 2 2 375.485 2.768 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000263653327 553190199 /nfs/dbraw/zinc/19/01/99/553190199.db2.gz DTHCVYBILCCBKN-OAHLLOKOSA-N 2 2 375.485 2.768 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042070 564354996 /nfs/dbraw/zinc/35/49/96/564354996.db2.gz AQIOMVIKKZHMRY-MLGOLLRUSA-N 2 2 386.277 2.742 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511042070 564354998 /nfs/dbraw/zinc/35/49/98/564354998.db2.gz AQIOMVIKKZHMRY-MLGOLLRUSA-N 2 2 386.277 2.742 20 0 GFADLP C[NH+](C)CC1(C[NH2+]Cc2ncc(I)s2)CCCC1 ZINC000511923999 564385974 /nfs/dbraw/zinc/38/59/74/564385974.db2.gz SMKANICXQYSCGZ-UHFFFAOYSA-N 2 2 379.311 2.959 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(I)cc1 ZINC000453260780 564450904 /nfs/dbraw/zinc/45/09/04/564450904.db2.gz RLYUCAWMENDQFX-BBRMVZONSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(I)cc1 ZINC000453260780 564450909 /nfs/dbraw/zinc/45/09/09/564450909.db2.gz RLYUCAWMENDQFX-BBRMVZONSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000370115558 563234180 /nfs/dbraw/zinc/23/41/80/563234180.db2.gz XZYUZOKYJLQTFW-MAUKXSAKSA-N 2 2 382.346 2.506 20 0 GFADLP CN(C(=O)Cc1ccccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830009 563257631 /nfs/dbraw/zinc/25/76/31/563257631.db2.gz KORWGMPSOSSGCP-KRWDZBQOSA-N 2 2 394.357 2.619 20 0 GFADLP CN(C(=O)Cc1ccccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830009 563257632 /nfs/dbraw/zinc/25/76/32/563257632.db2.gz KORWGMPSOSSGCP-KRWDZBQOSA-N 2 2 394.357 2.619 20 0 GFADLP C[C@@H]1C[N@H+](CCOc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371366418 563275350 /nfs/dbraw/zinc/27/53/50/563275350.db2.gz LTMYJXFJUQFIOD-SJLPKXTDSA-N 2 2 396.373 2.786 20 0 GFADLP C[C@@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371366418 563275355 /nfs/dbraw/zinc/27/53/55/563275355.db2.gz LTMYJXFJUQFIOD-SJLPKXTDSA-N 2 2 396.373 2.786 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000420979149 563291936 /nfs/dbraw/zinc/29/19/36/563291936.db2.gz JWQKMRQTFPUMAK-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)cn3)CC2)CC1 ZINC000420979149 563291938 /nfs/dbraw/zinc/29/19/38/563291938.db2.gz JWQKMRQTFPUMAK-UHFFFAOYSA-N 2 2 381.362 2.836 20 0 GFADLP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000371980606 563292970 /nfs/dbraw/zinc/29/29/70/563292970.db2.gz ZTTHQYXYECAWGA-CVEARBPZSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000371980606 563292971 /nfs/dbraw/zinc/29/29/71/563292971.db2.gz ZTTHQYXYECAWGA-CVEARBPZSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000371980609 563293017 /nfs/dbraw/zinc/29/30/17/563293017.db2.gz ZTTHQYXYECAWGA-JKSUJKDBSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000371980609 563293019 /nfs/dbraw/zinc/29/30/19/563293019.db2.gz ZTTHQYXYECAWGA-JKSUJKDBSA-N 2 2 385.599 2.611 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095524 563322360 /nfs/dbraw/zinc/32/23/60/563322360.db2.gz MSWDXMKDOCKDJB-GHMZBOCLSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280095524 563322363 /nfs/dbraw/zinc/32/23/63/563322363.db2.gz MSWDXMKDOCKDJB-GHMZBOCLSA-N 2 2 392.352 2.776 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560052 563342375 /nfs/dbraw/zinc/34/23/75/563342375.db2.gz HNVPJBLVVMEWDZ-QJPTWQEYSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560052 563342377 /nfs/dbraw/zinc/34/23/77/563342377.db2.gz HNVPJBLVVMEWDZ-QJPTWQEYSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422772518 563348878 /nfs/dbraw/zinc/34/88/78/563348878.db2.gz ZFMCHGFTZNCCGS-SWLSCSKDSA-N 2 2 389.359 2.589 20 0 GFADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(F)c(I)c2)CCC[NH2+]1 ZINC000423418004 563361497 /nfs/dbraw/zinc/36/14/97/563361497.db2.gz TYFMNMISHHAFMZ-XHDPSFHLSA-N 2 2 392.256 2.850 20 0 GFADLP COC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425519980 563426686 /nfs/dbraw/zinc/42/66/86/563426686.db2.gz QBVMHICCDCCHSP-DLBZAZTESA-N 2 2 392.297 2.614 20 0 GFADLP COC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425519980 563426687 /nfs/dbraw/zinc/42/66/87/563426687.db2.gz QBVMHICCDCCHSP-DLBZAZTESA-N 2 2 392.297 2.614 20 0 GFADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000303986259 563433538 /nfs/dbraw/zinc/43/35/38/563433538.db2.gz JCVPFDMFQRROFF-UHFFFAOYSA-N 2 2 377.286 2.634 20 0 GFADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1 ZINC000303986259 563433542 /nfs/dbraw/zinc/43/35/42/563433542.db2.gz JCVPFDMFQRROFF-UHFFFAOYSA-N 2 2 377.286 2.634 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376630046 563449024 /nfs/dbraw/zinc/44/90/24/563449024.db2.gz YQBFMZLDTDCZLO-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1c(Br)cccc1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376630046 563449026 /nfs/dbraw/zinc/44/90/26/563449026.db2.gz YQBFMZLDTDCZLO-INIZCTEOSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377256724 563468515 /nfs/dbraw/zinc/46/85/15/563468515.db2.gz MAFLZLKCTBDNPR-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377256724 563468518 /nfs/dbraw/zinc/46/85/18/563468518.db2.gz MAFLZLKCTBDNPR-OAHLLOKOSA-N 2 2 394.357 2.998 20 0 GFADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691463 563483389 /nfs/dbraw/zinc/48/33/89/563483389.db2.gz AAUVBFKIHSBYNA-OLZOCXBDSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691463 563483390 /nfs/dbraw/zinc/48/33/90/563483390.db2.gz AAUVBFKIHSBYNA-OLZOCXBDSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691463 563483391 /nfs/dbraw/zinc/48/33/91/563483391.db2.gz AAUVBFKIHSBYNA-OLZOCXBDSA-N 2 2 377.476 2.902 20 0 GFADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](CO)C3)sc2C1 ZINC000377691463 563483392 /nfs/dbraw/zinc/48/33/92/563483392.db2.gz AAUVBFKIHSBYNA-OLZOCXBDSA-N 2 2 377.476 2.902 20 0 GFADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cscc3Br)ccn2)CC1 ZINC000285476949 563522612 /nfs/dbraw/zinc/52/26/12/563522612.db2.gz OFIJVBMUQBDCFB-UHFFFAOYSA-N 2 2 381.343 2.947 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431173304 563555665 /nfs/dbraw/zinc/55/56/65/563555665.db2.gz PUEQILKZCDPEJN-MAUKXSAKSA-N 2 2 393.281 2.737 20 0 GFADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431173304 563555669 /nfs/dbraw/zinc/55/56/69/563555669.db2.gz PUEQILKZCDPEJN-MAUKXSAKSA-N 2 2 393.281 2.737 20 0 GFADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nn(C)cc3Br)CC2)C[C@H](C)O1 ZINC000432835300 563594787 /nfs/dbraw/zinc/59/47/87/563594787.db2.gz HBISJALIQZVKPS-GJZGRUSLSA-N 2 2 399.377 2.894 20 0 GFADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000411662367 563628143 /nfs/dbraw/zinc/62/81/43/563628143.db2.gz NMILULBNOMJAKL-MRXNPFEDSA-N 2 2 388.339 2.605 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361085472 563697097 /nfs/dbraw/zinc/69/70/97/563697097.db2.gz FVKQBBHABHUMCT-LBPRGKRZSA-N 2 2 385.339 2.816 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361085472 563697100 /nfs/dbraw/zinc/69/71/00/563697100.db2.gz FVKQBBHABHUMCT-LBPRGKRZSA-N 2 2 385.339 2.816 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414328080 563727135 /nfs/dbraw/zinc/72/71/35/563727135.db2.gz PQFLLOSETJOXDV-CQSZACIVSA-N 2 2 378.318 2.617 20 0 GFADLP CCOc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(Br)c1OC(F)F ZINC000415032082 563757280 /nfs/dbraw/zinc/75/72/80/563757280.db2.gz HIOQXZXGGNAKPS-IWIIMEHWSA-N 2 2 377.229 2.757 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415064858 563757972 /nfs/dbraw/zinc/75/79/72/563757972.db2.gz DXKXKEKGZNQVJI-MRXNPFEDSA-N 2 2 381.318 2.510 20 0 GFADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415064858 563757976 /nfs/dbraw/zinc/75/79/76/563757976.db2.gz DXKXKEKGZNQVJI-MRXNPFEDSA-N 2 2 381.318 2.510 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000364725873 563762520 /nfs/dbraw/zinc/76/25/20/563762520.db2.gz VOJQMOPMHYCSKC-UHFFFAOYSA-N 2 2 379.551 2.531 20 0 GFADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Br)c1 ZINC000292230747 563779427 /nfs/dbraw/zinc/77/94/27/563779427.db2.gz UFRXPDYAITVLPQ-AWEZNQCLSA-N 2 2 382.346 2.695 20 0 GFADLP CC[NH2+]CC1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000417217152 563873683 /nfs/dbraw/zinc/87/36/83/563873683.db2.gz JZEXFKHOLCCCKX-UHFFFAOYSA-N 2 2 394.317 2.628 20 0 GFADLP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000417576723 563883868 /nfs/dbraw/zinc/88/38/68/563883868.db2.gz VHKZUKMBQMCTHF-CYBMUJFWSA-N 2 2 385.339 2.961 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C)CCCC[NH3+])[nH+]c12 ZINC000417995509 563894266 /nfs/dbraw/zinc/89/42/66/563894266.db2.gz AZYIRONVMYNNOV-ZDUSSCGKSA-N 2 2 396.333 2.764 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)NC3CCC([NH3+])CC3)[nH+]c12 ZINC000418014647 563895471 /nfs/dbraw/zinc/89/54/71/563895471.db2.gz CUZLXJITNIYUEC-UHFFFAOYSA-N 2 2 394.317 2.517 20 0 GFADLP CCC[N@H+](CC)CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000472956134 564238266 /nfs/dbraw/zinc/23/82/66/564238266.db2.gz UPBHIWIXEWZCLL-UHFFFAOYSA-N 2 2 382.306 2.628 20 0 GFADLP CCC[N@@H+](CC)CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000472956134 564238269 /nfs/dbraw/zinc/23/82/69/564238269.db2.gz UPBHIWIXEWZCLL-UHFFFAOYSA-N 2 2 382.306 2.628 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000507729545 564241368 /nfs/dbraw/zinc/24/13/68/564241368.db2.gz ARHHMNIIUUGCMZ-UHFFFAOYSA-N 2 2 388.339 2.858 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855342 564252750 /nfs/dbraw/zinc/25/27/50/564252750.db2.gz QOEORSOUVJHQRL-XHSDSOJGSA-N 2 2 397.357 2.540 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(c3ccccc3Br)CC2)C[C@H](C)O1 ZINC000564855342 564252755 /nfs/dbraw/zinc/25/27/55/564252755.db2.gz QOEORSOUVJHQRL-XHSDSOJGSA-N 2 2 397.357 2.540 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565232887 564272039 /nfs/dbraw/zinc/27/20/39/564272039.db2.gz GFNTVTYQABORHT-CABCVRRESA-N 2 2 398.370 2.693 20 0 GFADLP CC(C)Sc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565232887 564272041 /nfs/dbraw/zinc/27/20/41/564272041.db2.gz GFNTVTYQABORHT-CABCVRRESA-N 2 2 398.370 2.693 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000542767925 564326041 /nfs/dbraw/zinc/32/60/41/564326041.db2.gz GODZYAAJTNLEIQ-GFCCVEGCSA-N 2 2 394.317 2.687 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000542767925 564326043 /nfs/dbraw/zinc/32/60/43/564326043.db2.gz GODZYAAJTNLEIQ-GFCCVEGCSA-N 2 2 394.317 2.687 20 0 GFADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415505 564350478 /nfs/dbraw/zinc/35/04/78/564350478.db2.gz ZYUSQOTUWGGQPF-CYBMUJFWSA-N 2 2 381.826 2.833 20 0 GFADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000543415505 564350480 /nfs/dbraw/zinc/35/04/80/564350480.db2.gz ZYUSQOTUWGGQPF-CYBMUJFWSA-N 2 2 381.826 2.833 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000511941260 564386000 /nfs/dbraw/zinc/38/60/00/564386000.db2.gz LNASMTVXYYJUCU-OAHLLOKOSA-N 2 2 382.892 2.892 20 0 GFADLP C[N@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121968 564395207 /nfs/dbraw/zinc/39/52/07/564395207.db2.gz UCBSDLFQZAAOKK-OAHLLOKOSA-N 2 2 380.476 2.974 20 0 GFADLP C[N@@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121968 564395210 /nfs/dbraw/zinc/39/52/10/564395210.db2.gz UCBSDLFQZAAOKK-OAHLLOKOSA-N 2 2 380.476 2.974 20 0 GFADLP COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000568175271 564407344 /nfs/dbraw/zinc/40/73/44/564407344.db2.gz XUNCUMNHGMSQTP-KRWDZBQOSA-N 2 2 382.302 2.789 20 0 GFADLP COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000568175271 564407346 /nfs/dbraw/zinc/40/73/46/564407346.db2.gz XUNCUMNHGMSQTP-KRWDZBQOSA-N 2 2 382.302 2.789 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479288626 564434499 /nfs/dbraw/zinc/43/44/99/564434499.db2.gz UJGFGBKHBFLPHQ-YJBOKZPZSA-N 2 2 396.373 2.912 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000479288626 564434503 /nfs/dbraw/zinc/43/45/03/564434503.db2.gz UJGFGBKHBFLPHQ-YJBOKZPZSA-N 2 2 396.373 2.912 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262292 564467266 /nfs/dbraw/zinc/46/72/66/564467266.db2.gz JREAKWNAVDZVQR-FMKPAKJESA-N 2 2 399.354 2.884 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(Br)ccc21 ZINC000480262292 564467267 /nfs/dbraw/zinc/46/72/67/564467267.db2.gz JREAKWNAVDZVQR-FMKPAKJESA-N 2 2 399.354 2.884 20 0 GFADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459515191 564748959 /nfs/dbraw/zinc/74/89/59/564748959.db2.gz PYHAHWKATISTCR-KBPBESRZSA-N 2 2 397.292 2.590 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C[N@@H+]1C1CC1 ZINC000459710913 564757917 /nfs/dbraw/zinc/75/79/17/564757917.db2.gz UYKCNYOIWKDQKX-HACGYAERSA-N 2 2 385.321 2.954 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2cc(F)cc(Br)c2)C[N@H+]1C1CC1 ZINC000459710913 564757921 /nfs/dbraw/zinc/75/79/21/564757921.db2.gz UYKCNYOIWKDQKX-HACGYAERSA-N 2 2 385.321 2.954 20 0 GFADLP CCCOc1ccc(Br)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491204798 564788934 /nfs/dbraw/zinc/78/89/34/564788934.db2.gz DUDPDDRYSGOQEZ-QGZVFWFLSA-N 2 2 382.346 2.717 20 0 GFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721711 564816235 /nfs/dbraw/zinc/81/62/35/564816235.db2.gz MFMSVWQSBBTIOR-QWHCGFSZSA-N 2 2 377.710 2.526 20 0 GFADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000581721711 564816238 /nfs/dbraw/zinc/81/62/38/564816238.db2.gz MFMSVWQSBBTIOR-QWHCGFSZSA-N 2 2 377.710 2.526 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527441 564839496 /nfs/dbraw/zinc/83/94/96/564839496.db2.gz CNUATGHYNFRJDW-AWEZNQCLSA-N 2 2 387.753 2.709 20 0 GFADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(Cl)cc3Br)C2)CC1 ZINC000529527441 564839497 /nfs/dbraw/zinc/83/94/97/564839497.db2.gz CNUATGHYNFRJDW-AWEZNQCLSA-N 2 2 387.753 2.709 20 0 GFADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220065 564873316 /nfs/dbraw/zinc/87/33/16/564873316.db2.gz IGJAAGPHRAAUOG-GFCCVEGCSA-N 2 2 375.257 2.915 20 0 GFADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2F)CC12CCOCC2 ZINC000530220065 564873319 /nfs/dbraw/zinc/87/33/19/564873319.db2.gz IGJAAGPHRAAUOG-GFCCVEGCSA-N 2 2 375.257 2.915 20 0 GFADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@@H+]1C ZINC000465733999 564931587 /nfs/dbraw/zinc/93/15/87/564931587.db2.gz ZEFWYSOVCHUBHR-WFASDCNBSA-N 2 2 394.317 2.721 20 0 GFADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[N@H+]1C ZINC000465733999 564931589 /nfs/dbraw/zinc/93/15/89/564931589.db2.gz ZEFWYSOVCHUBHR-WFASDCNBSA-N 2 2 394.317 2.721 20 0 GFADLP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)c1 ZINC000562962312 565049121 /nfs/dbraw/zinc/04/91/21/565049121.db2.gz RZQJZVFWNFASCA-HCXYKTFWSA-N 2 2 376.909 2.640 20 0 GFADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000584408832 565079184 /nfs/dbraw/zinc/07/91/84/565079184.db2.gz JNQPUXJPVPGZQY-IAGOWNOFSA-N 2 2 380.330 2.844 20 0 GFADLP Cc1c(Br)cncc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000657332791 565097718 /nfs/dbraw/zinc/09/77/18/565097718.db2.gz QDWWSXPURWJXJS-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(Br)c1 ZINC000638986680 565219635 /nfs/dbraw/zinc/21/96/35/565219635.db2.gz XNUAYDCSVBKWIM-UHFFFAOYSA-N 2 2 391.269 2.515 20 0 GFADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766509 565258774 /nfs/dbraw/zinc/25/87/74/565258774.db2.gz NDRFLGMFSVXCLP-LBPRGKRZSA-N 2 2 376.364 2.614 20 0 GFADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617766509 565258776 /nfs/dbraw/zinc/25/87/76/565258776.db2.gz NDRFLGMFSVXCLP-LBPRGKRZSA-N 2 2 376.364 2.614 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(Br)c1Cl ZINC000617765088 565258840 /nfs/dbraw/zinc/25/88/40/565258840.db2.gz SZZMBSILQNPAJU-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(Br)c1Cl ZINC000617765088 565258843 /nfs/dbraw/zinc/25/88/43/565258843.db2.gz SZZMBSILQNPAJU-UHFFFAOYSA-N 2 2 376.726 2.716 20 0 GFADLP CC(C)C[NH2+]C1(CO)CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000660693894 565289573 /nfs/dbraw/zinc/28/95/73/565289573.db2.gz OOUAYVMCHWLKNE-UHFFFAOYSA-N 2 2 395.345 2.669 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378138 565364704 /nfs/dbraw/zinc/36/47/04/565364704.db2.gz ZWEANGAJRNUWQC-GOSISDBHSA-N 2 2 388.309 2.623 20 0 GFADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccccc1Br ZINC000662378138 565364710 /nfs/dbraw/zinc/36/47/10/565364710.db2.gz ZWEANGAJRNUWQC-GOSISDBHSA-N 2 2 388.309 2.623 20 0 GFADLP [NH3+][C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1Br ZINC000662441685 565368434 /nfs/dbraw/zinc/36/84/34/565368434.db2.gz BHQQOTSYWJPILD-LBPRGKRZSA-N 2 2 391.191 2.524 20 0 GFADLP Cc1[nH+]ccn1CCCN(C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662507209 565372811 /nfs/dbraw/zinc/37/28/11/565372811.db2.gz LBMLENBUVXYOGE-UHFFFAOYSA-N 2 2 383.315 2.781 20 0 GFADLP Clc1scc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1Cl ZINC000641787528 565399712 /nfs/dbraw/zinc/39/97/12/565399712.db2.gz USHJTRVCBSAMTP-CQSZACIVSA-N 2 2 378.369 2.941 20 0 GFADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000594607232 565402617 /nfs/dbraw/zinc/40/26/17/565402617.db2.gz QSJTYKXQLMHPMN-MRXNPFEDSA-N 2 2 397.313 2.579 20 0 GFADLP Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(Br)c(C)[nH+]1 ZINC000663747335 565433936 /nfs/dbraw/zinc/43/39/36/565433936.db2.gz HKVQUBPANFDHTO-XYPWUTKMSA-N 2 2 394.361 2.603 20 0 GFADLP Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Br)c(C)[nH+]1 ZINC000663747335 565433938 /nfs/dbraw/zinc/43/39/38/565433938.db2.gz HKVQUBPANFDHTO-XYPWUTKMSA-N 2 2 394.361 2.603 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780456 565440917 /nfs/dbraw/zinc/44/09/17/565440917.db2.gz RPGJXUINXWPENZ-XUWXXGDYSA-N 2 2 380.330 2.609 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780456 565440922 /nfs/dbraw/zinc/44/09/22/565440922.db2.gz RPGJXUINXWPENZ-XUWXXGDYSA-N 2 2 380.330 2.609 20 0 GFADLP COc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1Br ZINC000644872457 565500535 /nfs/dbraw/zinc/50/05/35/565500535.db2.gz CMHBRNSAIROIAN-PIGZYNQJSA-N 2 2 380.286 2.559 20 0 GFADLP COc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1Br ZINC000644872457 565500538 /nfs/dbraw/zinc/50/05/38/565500538.db2.gz CMHBRNSAIROIAN-PIGZYNQJSA-N 2 2 380.286 2.559 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@@H](C[NH3+])C1 ZINC000667272942 565580419 /nfs/dbraw/zinc/58/04/19/565580419.db2.gz WRYGPCQOOJQDAT-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)[C@@H](C[NH3+])C1 ZINC000667272942 565580422 /nfs/dbraw/zinc/58/04/22/565580422.db2.gz WRYGPCQOOJQDAT-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265982 565613571 /nfs/dbraw/zinc/61/35/71/565613571.db2.gz KPQQBCDADBGDBH-CZUORRHYSA-N 2 2 389.297 2.925 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625265982 565613578 /nfs/dbraw/zinc/61/35/78/565613578.db2.gz KPQQBCDADBGDBH-CZUORRHYSA-N 2 2 389.297 2.925 20 0 GFADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccncc3Br)CC2)CC1 ZINC000625277247 565614839 /nfs/dbraw/zinc/61/48/39/565614839.db2.gz QQHLADLZGZHOSI-UHFFFAOYSA-N 2 2 381.362 2.835 20 0 GFADLP Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000625523122 565635026 /nfs/dbraw/zinc/63/50/26/565635026.db2.gz YSXYSMCNBJCDNA-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1cc(Br)c(F)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000625523122 565635030 /nfs/dbraw/zinc/63/50/30/565635030.db2.gz YSXYSMCNBJCDNA-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777467 565749744 /nfs/dbraw/zinc/74/97/44/565749744.db2.gz UKYWHRNTPCXLJZ-ZYHUDNBSSA-N 2 2 390.265 2.539 20 0 GFADLP COc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc(I)c1OC ZINC000600777463 565749813 /nfs/dbraw/zinc/74/98/13/565749813.db2.gz UKYWHRNTPCXLJZ-JQWIXIFHSA-N 2 2 390.265 2.539 20 0 GFADLP Cc1ccc(Br)cc1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393511 565760792 /nfs/dbraw/zinc/76/07/92/565760792.db2.gz ZWVPDZKDPGNITN-KRWDZBQOSA-N 2 2 380.330 2.672 20 0 GFADLP Cc1ccc(Br)cc1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393511 565760798 /nfs/dbraw/zinc/76/07/98/565760798.db2.gz ZWVPDZKDPGNITN-KRWDZBQOSA-N 2 2 380.330 2.672 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3cc(Br)sc32)CC1 ZINC000651324470 565856720 /nfs/dbraw/zinc/85/67/20/565856720.db2.gz FXMCHMGOHKGJTP-UHFFFAOYSA-N 2 2 384.347 2.892 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538276 565858229 /nfs/dbraw/zinc/85/82/29/565858229.db2.gz TUOHAYRVJAHYCI-SJLPKXTDSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538276 565858234 /nfs/dbraw/zinc/85/82/34/565858234.db2.gz TUOHAYRVJAHYCI-SJLPKXTDSA-N 2 2 378.314 2.778 20 0 GFADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358248 565924346 /nfs/dbraw/zinc/92/43/46/565924346.db2.gz NSGPHBSQCMIQCU-SFDCBXKLSA-N 2 2 388.339 2.855 20 0 GFADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000652358248 565924352 /nfs/dbraw/zinc/92/43/52/565924352.db2.gz NSGPHBSQCMIQCU-SFDCBXKLSA-N 2 2 388.339 2.855 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248518 565966560 /nfs/dbraw/zinc/96/65/60/565966560.db2.gz XZONQJZFRXNQBE-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000677248518 565966563 /nfs/dbraw/zinc/96/65/63/565966563.db2.gz XZONQJZFRXNQBE-INIZCTEOSA-N 2 2 394.357 2.998 20 0 GFADLP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631701029 565968581 /nfs/dbraw/zinc/96/85/81/565968581.db2.gz GLYYOESCHAAHAD-YSHGAJCASA-N 2 2 377.326 2.930 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000653729191 565980088 /nfs/dbraw/zinc/98/00/88/565980088.db2.gz ZOGXNXYMLJXNGM-CQSZACIVSA-N 2 2 391.339 2.558 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCC[N@H+]3C)[nH+]c12 ZINC000680459349 566071516 /nfs/dbraw/zinc/07/15/16/566071516.db2.gz PSYUSCAHNHKXGX-HNNXBMFYSA-N 2 2 379.302 2.548 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCC[N@@H+]3C)[nH+]c12 ZINC000680459349 566071519 /nfs/dbraw/zinc/07/15/19/566071519.db2.gz PSYUSCAHNHKXGX-HNNXBMFYSA-N 2 2 379.302 2.548 20 0 GFADLP C[C@H](c1ccncc1)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736202292 598701927 /nfs/dbraw/zinc/70/19/27/598701927.db2.gz IKKQZNGOTUYIOQ-OAHLLOKOSA-N 2 2 386.463 2.693 20 0 GFADLP c1ccc(C[N@H+]2CCC[C@H]2CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823779418 599558296 /nfs/dbraw/zinc/55/82/96/599558296.db2.gz DADHSDIBZZGBJQ-KRWDZBQOSA-N 2 2 385.475 2.913 20 0 GFADLP c1ccc(C[N@@H+]2CCC[C@H]2CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823779418 599558299 /nfs/dbraw/zinc/55/82/99/599558299.db2.gz DADHSDIBZZGBJQ-KRWDZBQOSA-N 2 2 385.475 2.913 20 0 GFADLP c1ccc(N2CCC([NH2+][C@H]3CCCc4cc(-c5nn[nH]n5)ccc43)CC2)[nH+]c1 ZINC000826521839 608502667 /nfs/dbraw/zinc/50/26/67/608502667.db2.gz AHVXJIKTKQFXJY-IBGZPJMESA-N 2 2 375.480 2.898 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000817565664 660200709 /nfs/dbraw/zinc/20/07/09/660200709.db2.gz FSCVKMPWJCRKHE-UHFFFAOYSA-N 2 2 380.627 2.657 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)NCCc3cccs3)CC2)CC1 ZINC000817565664 660200710 /nfs/dbraw/zinc/20/07/10/660200710.db2.gz FSCVKMPWJCRKHE-UHFFFAOYSA-N 2 2 380.627 2.657 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000822594270 660349059 /nfs/dbraw/zinc/34/90/59/660349059.db2.gz KVMYLVGAIGYFKH-UHFFFAOYSA-N 2 2 392.729 2.503 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnc(Cl)c(Br)c1 ZINC000822594270 660349060 /nfs/dbraw/zinc/34/90/60/660349060.db2.gz KVMYLVGAIGYFKH-UHFFFAOYSA-N 2 2 392.729 2.503 20 0 GFADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000836278092 660897977 /nfs/dbraw/zinc/89/79/77/660897977.db2.gz IQRADXFOUQLJOL-QGZVFWFLSA-N 2 2 391.387 2.818 20 0 GFADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131521832 654909336 /nfs/dbraw/zinc/90/93/36/654909336.db2.gz BNUTYPWSUNUFOK-GOSISDBHSA-N 2 2 395.345 2.654 20 0 GFADLP C[N@H+](Cc1cc(Br)cs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091888156 655010842 /nfs/dbraw/zinc/01/08/42/655010842.db2.gz IGKDWOQIDRFRGL-UHFFFAOYSA-N 2 2 396.358 2.684 20 0 GFADLP C[N@@H+](Cc1cc(Br)cs1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091888156 655010844 /nfs/dbraw/zinc/01/08/44/655010844.db2.gz IGKDWOQIDRFRGL-UHFFFAOYSA-N 2 2 396.358 2.684 20 0 GFADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000135562755 655020515 /nfs/dbraw/zinc/02/05/15/655020515.db2.gz KAGBDZAPCHNWOY-CRAIPNDOSA-N 2 2 394.357 2.996 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938368 661063941 /nfs/dbraw/zinc/06/39/41/661063941.db2.gz FHPYBEFUNXEMHP-KBPBESRZSA-N 2 2 385.302 2.506 20 0 GFADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(Br)c1O ZINC000838938368 661063945 /nfs/dbraw/zinc/06/39/45/661063945.db2.gz FHPYBEFUNXEMHP-KBPBESRZSA-N 2 2 385.302 2.506 20 0 GFADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000106382742 655107593 /nfs/dbraw/zinc/10/75/93/655107593.db2.gz LIXHASHDADTPDQ-CQSZACIVSA-N 2 2 391.737 2.868 20 0 GFADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000185022154 655361857 /nfs/dbraw/zinc/36/18/57/655361857.db2.gz QQHBOTSXFKEBEA-OLZOCXBDSA-N 2 2 388.325 2.970 20 0 GFADLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Br)cc(F)c1O ZINC000185648002 655365374 /nfs/dbraw/zinc/36/53/74/655365374.db2.gz UUVXSINFBNYHKE-GFCCVEGCSA-N 2 2 388.325 2.970 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000841173203 661241350 /nfs/dbraw/zinc/24/13/50/661241350.db2.gz HOBZSAAQXCECIO-SJORKVTESA-N 2 2 385.643 2.978 20 0 GFADLP CN(C(=O)C1SCCCS1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000841173203 661241351 /nfs/dbraw/zinc/24/13/51/661241351.db2.gz HOBZSAAQXCECIO-SJORKVTESA-N 2 2 385.643 2.978 20 0 GFADLP C[C@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1Cl ZINC000846876640 661568304 /nfs/dbraw/zinc/56/83/04/661568304.db2.gz WEUKAUCEKGVEHH-INIZCTEOSA-N 2 2 399.720 2.855 20 0 GFADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850492578 661779350 /nfs/dbraw/zinc/77/93/50/661779350.db2.gz FDOHPMQTGGPTPZ-MQNRADLISA-N 2 2 376.488 2.983 20 0 GFADLP CC[N@H+](CCn1cnc(Br)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000851793295 661832330 /nfs/dbraw/zinc/83/23/30/661832330.db2.gz UJWFXNCBMLAWLT-UHFFFAOYSA-N 2 2 393.333 2.674 20 0 GFADLP CC[N@@H+](CCn1cnc(Br)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000851793295 661832337 /nfs/dbraw/zinc/83/23/37/661832337.db2.gz UJWFXNCBMLAWLT-UHFFFAOYSA-N 2 2 393.333 2.674 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750863 662441325 /nfs/dbraw/zinc/44/13/25/662441325.db2.gz TZRRJXCJYJNALB-CMPYXILNSA-N 2 2 396.329 2.730 20 0 GFADLP C/C(=C\c1ccc(Br)o1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750863 662441326 /nfs/dbraw/zinc/44/13/26/662441326.db2.gz TZRRJXCJYJNALB-CMPYXILNSA-N 2 2 396.329 2.730 20 0 GFADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)c1C ZINC000870876751 662704353 /nfs/dbraw/zinc/70/43/53/662704353.db2.gz XPXQDIAHAYABRK-OAHLLOKOSA-N 2 2 378.270 2.786 20 0 GFADLP CC(C)[C@H](C[NH2+]Cc1nc(Cl)ccc1Br)N1CC[NH+](C)CC1 ZINC000876924970 662868216 /nfs/dbraw/zinc/86/82/16/662868216.db2.gz YCCOZVPHJBDHLO-HNNXBMFYSA-N 2 2 389.769 2.859 20 0 GFADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176471 663066624 /nfs/dbraw/zinc/06/66/24/663066624.db2.gz GPQWRAHEIGMCLH-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)sc2C1 ZINC000884176471 663066626 /nfs/dbraw/zinc/06/66/26/663066626.db2.gz GPQWRAHEIGMCLH-AWEZNQCLSA-N 2 2 395.326 2.922 20 0 GFADLP COCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892724030 663383227 /nfs/dbraw/zinc/38/32/27/663383227.db2.gz NNQDRIGTFDUKCW-UHFFFAOYSA-N 2 2 384.318 2.608 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000894094114 663442183 /nfs/dbraw/zinc/44/21/83/663442183.db2.gz JHPDQVUUNDLXQG-KGLIPLIRSA-N 2 2 381.933 2.913 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000894094114 663442185 /nfs/dbraw/zinc/44/21/85/663442185.db2.gz JHPDQVUUNDLXQG-KGLIPLIRSA-N 2 2 381.933 2.913 20 0 GFADLP Clc1ccc(Br)c(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903931761 663812565 /nfs/dbraw/zinc/81/25/65/663812565.db2.gz HROJBJVFIBUDMZ-CYBMUJFWSA-N 2 2 384.709 2.908 20 0 GFADLP Cc1nn(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Br ZINC000904473439 663835680 /nfs/dbraw/zinc/83/56/80/663835680.db2.gz QVVHDWZBXFERHT-KDOFPFPSSA-N 2 2 391.313 2.837 20 0 GFADLP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)C(F)(F)c1ccc(Br)cc1 ZINC000925111309 664666909 /nfs/dbraw/zinc/66/69/09/664666909.db2.gz BQXFBSJUTXJISW-LBPRGKRZSA-N 2 2 377.273 2.976 20 0 GFADLP OCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)CC1 ZINC000925829734 664675369 /nfs/dbraw/zinc/67/53/69/664675369.db2.gz GKRFKKWNPRKSSK-IBGZPJMESA-N 2 2 390.325 2.980 20 0 GFADLP c1csc(C[N@@H+]2CCOC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)c1 ZINC001164697534 719886281 /nfs/dbraw/zinc/88/62/81/719886281.db2.gz CGCCPRBQKUWALQ-UHFFFAOYSA-N 2 2 385.537 2.984 20 0 GFADLP c1csc(C[N@H+]2CCOC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)c1 ZINC001164697534 719886283 /nfs/dbraw/zinc/88/62/83/719886283.db2.gz CGCCPRBQKUWALQ-UHFFFAOYSA-N 2 2 385.537 2.984 20 0 GFADLP Cn1nnc2c1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717864 720206225 /nfs/dbraw/zinc/20/62/25/720206225.db2.gz JUHRSMHQINVJCF-IBGZPJMESA-N 2 2 398.555 2.724 20 0 GFADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858640 720888649 /nfs/dbraw/zinc/88/86/49/720888649.db2.gz LMRGTDRQRPHBCQ-UZLBHIALSA-N 2 2 389.471 2.556 20 0 GFADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4cc(OC)c(F)cc43)CC[C@@H]2C1 ZINC001164858640 720888650 /nfs/dbraw/zinc/88/86/50/720888650.db2.gz LMRGTDRQRPHBCQ-UZLBHIALSA-N 2 2 389.471 2.556 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164900478 721508006 /nfs/dbraw/zinc/50/80/06/721508006.db2.gz REXGVWFTCCKXCC-UYAOXDASSA-N 2 2 397.498 2.866 20 0 GFADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164900478 721508008 /nfs/dbraw/zinc/50/80/08/721508008.db2.gz REXGVWFTCCKXCC-UYAOXDASSA-N 2 2 397.498 2.866 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(Cl)cc2Br)CC1 ZINC000152457497 551433711 /nfs/dbraw/zinc/43/37/11/551433711.db2.gz BCFLUFQGJJOXSX-UHFFFAOYSA-N 2 2 388.737 2.858 20 0 GFADLP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000153308289 551449832 /nfs/dbraw/zinc/44/98/32/551449832.db2.gz RXSANJROWLXRKP-GJZGRUSLSA-N 2 2 398.345 2.724 20 0 GFADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426285 551619581 /nfs/dbraw/zinc/61/95/81/551619581.db2.gz OAJBGIKLOMYRBX-RHSMWYFYSA-N 2 2 398.345 2.867 20 0 GFADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000163426285 551619584 /nfs/dbraw/zinc/61/95/84/551619584.db2.gz OAJBGIKLOMYRBX-RHSMWYFYSA-N 2 2 398.345 2.867 20 0 GFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000177317872 552152828 /nfs/dbraw/zinc/15/28/28/552152828.db2.gz UDNLWCFJLLKDLQ-IKGGRYGDSA-N 2 2 383.330 2.747 20 0 GFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000177317872 552152830 /nfs/dbraw/zinc/15/28/30/552152830.db2.gz UDNLWCFJLLKDLQ-IKGGRYGDSA-N 2 2 383.330 2.747 20 0 GFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000177317872 552152832 /nfs/dbraw/zinc/15/28/32/552152832.db2.gz UDNLWCFJLLKDLQ-IKGGRYGDSA-N 2 2 383.330 2.747 20 0 GFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000177317872 552152833 /nfs/dbraw/zinc/15/28/33/552152833.db2.gz UDNLWCFJLLKDLQ-IKGGRYGDSA-N 2 2 383.330 2.747 20 0 GFADLP C[C@H]([NH2+]C[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000179968840 552208233 /nfs/dbraw/zinc/20/82/33/552208233.db2.gz ZBJUDVYGKPASOB-WMLDXEAASA-N 2 2 379.551 2.883 20 0 GFADLP OC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000183501334 552311218 /nfs/dbraw/zinc/31/12/18/552311218.db2.gz HHPCEXOQZMUQTQ-UHFFFAOYSA-N 2 2 384.311 2.511 20 0 GFADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000183756933 552318723 /nfs/dbraw/zinc/31/87/23/552318723.db2.gz AAHSYSMMNKMIBA-CYBMUJFWSA-N 2 2 388.339 2.871 20 0 GFADLP C[C@@]([NH3+])(C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000261841351 553160404 /nfs/dbraw/zinc/16/04/04/553160404.db2.gz UZFDZIYZEIUHKI-SFHVURJKSA-N 2 2 391.313 2.515 20 0 GFADLP C[C@]([NH3+])(C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000261843455 553161040 /nfs/dbraw/zinc/16/10/40/553161040.db2.gz VCUSZGSXGWJRCK-SJKOYZFVSA-N 2 2 377.286 2.752 20 0 GFADLP C[NH2+]CCC1CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000262017046 553164534 /nfs/dbraw/zinc/16/45/34/553164534.db2.gz WMIDOYJHGIGIHM-UHFFFAOYSA-N 2 2 389.359 2.544 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295127918 563230245 /nfs/dbraw/zinc/23/02/45/563230245.db2.gz OEAZZIAYCNTZNY-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295127918 563230249 /nfs/dbraw/zinc/23/02/49/563230249.db2.gz OEAZZIAYCNTZNY-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)n1C ZINC000419692206 563246215 /nfs/dbraw/zinc/24/62/15/563246215.db2.gz GJAXZHJKYSLCRB-CQSZACIVSA-N 2 2 382.295 2.688 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370297 563262878 /nfs/dbraw/zinc/26/28/78/563262878.db2.gz LGAFWKZDLKSCCU-KXBFYZLASA-N 2 2 394.357 2.872 20 0 GFADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370297 563262881 /nfs/dbraw/zinc/26/28/81/563262881.db2.gz LGAFWKZDLKSCCU-KXBFYZLASA-N 2 2 394.357 2.872 20 0 GFADLP C[N@@H+]1CCN(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C(=O)C1 ZINC000371641845 563283952 /nfs/dbraw/zinc/28/39/52/563283952.db2.gz JPEGCNIYSUZUCU-UHFFFAOYSA-N 2 2 376.551 2.610 20 0 GFADLP C[N@H+]1CCN(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)C(=O)C1 ZINC000371641845 563283955 /nfs/dbraw/zinc/28/39/55/563283955.db2.gz JPEGCNIYSUZUCU-UHFFFAOYSA-N 2 2 376.551 2.610 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569937 563292775 /nfs/dbraw/zinc/29/27/75/563292775.db2.gz SWGLZCLRRKOZIT-YEJSDXFRSA-N 2 2 392.352 2.917 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000296569937 563292777 /nfs/dbraw/zinc/29/27/77/563292777.db2.gz SWGLZCLRRKOZIT-YEJSDXFRSA-N 2 2 392.352 2.917 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC000372787272 563317474 /nfs/dbraw/zinc/31/74/74/563317474.db2.gz XGBHJTXHAKCAJC-UONOGXRCSA-N 2 2 388.375 2.568 20 0 GFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280156290 563324759 /nfs/dbraw/zinc/32/47/59/563324759.db2.gz QLFWQHLUSJUWFJ-SNVBAGLBSA-N 2 2 377.297 2.578 20 0 GFADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000373112580 563329202 /nfs/dbraw/zinc/32/92/02/563329202.db2.gz MJZUUKXCRVQEDS-UHFFFAOYSA-N 2 2 389.323 2.531 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560062 563342030 /nfs/dbraw/zinc/34/20/30/563342030.db2.gz HNVPJBLVVMEWDZ-SRVKXCTJSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000373560062 563342036 /nfs/dbraw/zinc/34/20/36/563342036.db2.gz HNVPJBLVVMEWDZ-SRVKXCTJSA-N 2 2 392.352 2.918 20 0 GFADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884411 563350151 /nfs/dbraw/zinc/35/01/51/563350151.db2.gz WULOCDPMHPMSDJ-YJBOKZPZSA-N 2 2 397.357 2.854 20 0 GFADLP Brc1cccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422898882 563350164 /nfs/dbraw/zinc/35/01/64/563350164.db2.gz NEDLILHYQQNXHF-MDASCCDHSA-N 2 2 394.357 2.632 20 0 GFADLP CCn1ccnc1[C@@H]([NH2+]CCC[NH3+])c1ccc(I)cc1 ZINC000423177636 563358440 /nfs/dbraw/zinc/35/84/40/563358440.db2.gz AZNMDABTSBMREO-AWEZNQCLSA-N 2 2 384.265 2.535 20 0 GFADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423211934 563358585 /nfs/dbraw/zinc/35/85/85/563358585.db2.gz HXEGAGUOJFIDIW-GARJFASQSA-N 2 2 380.341 2.680 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000430594664 563546068 /nfs/dbraw/zinc/54/60/68/563546068.db2.gz LFJNWSDAMQIDCO-AWEZNQCLSA-N 2 2 389.281 2.535 20 0 GFADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000430594664 563546072 /nfs/dbraw/zinc/54/60/72/563546072.db2.gz LFJNWSDAMQIDCO-AWEZNQCLSA-N 2 2 389.281 2.535 20 0 GFADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411252481 563612223 /nfs/dbraw/zinc/61/22/23/563612223.db2.gz JVHIALXNDUZRGI-MRXNPFEDSA-N 2 2 378.929 2.821 20 0 GFADLP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)cc1Cl ZINC000333838298 563643117 /nfs/dbraw/zinc/64/31/17/563643117.db2.gz KQXXQRVPERIWIM-CJNGLKHVSA-N 2 2 384.307 2.632 20 0 GFADLP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)cc1Cl ZINC000333838298 563643120 /nfs/dbraw/zinc/64/31/20/563643120.db2.gz KQXXQRVPERIWIM-CJNGLKHVSA-N 2 2 384.307 2.632 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435373012 563648888 /nfs/dbraw/zinc/64/88/88/563648888.db2.gz CSDWDTUCYMEGNR-KBPBESRZSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435373012 563648890 /nfs/dbraw/zinc/64/88/90/563648890.db2.gz CSDWDTUCYMEGNR-KBPBESRZSA-N 2 2 399.329 2.869 20 0 GFADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000289699311 563683279 /nfs/dbraw/zinc/68/32/79/563683279.db2.gz KIQWTLFOYQNXGA-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000414115875 563719386 /nfs/dbraw/zinc/71/93/86/563719386.db2.gz PWDJCVSTLVBQNL-PBHICJAKSA-N 2 2 382.346 2.853 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000414115875 563719388 /nfs/dbraw/zinc/71/93/88/563719388.db2.gz PWDJCVSTLVBQNL-PBHICJAKSA-N 2 2 382.346 2.853 20 0 GFADLP COC[C@@]1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC[NH2+]1 ZINC000414948529 563755631 /nfs/dbraw/zinc/75/56/31/563755631.db2.gz XNWRBMUCQATWSQ-HNNXBMFYSA-N 2 2 379.245 2.909 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129752 563760597 /nfs/dbraw/zinc/76/05/97/563760597.db2.gz POSJMVYQBVOXDK-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)nn1 ZINC000415129752 563760598 /nfs/dbraw/zinc/76/05/98/563760598.db2.gz POSJMVYQBVOXDK-AWEZNQCLSA-N 2 2 384.709 2.990 20 0 GFADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773467 563795176 /nfs/dbraw/zinc/79/51/76/563795176.db2.gz KSVSWZPQOUCGTL-LJQANCHMSA-N 2 2 394.357 2.813 20 0 GFADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773467 563795181 /nfs/dbraw/zinc/79/51/81/563795181.db2.gz KSVSWZPQOUCGTL-LJQANCHMSA-N 2 2 394.357 2.813 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773467 563795183 /nfs/dbraw/zinc/79/51/83/563795183.db2.gz KSVSWZPQOUCGTL-LJQANCHMSA-N 2 2 394.357 2.813 20 0 GFADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C2)C1 ZINC000292773467 563795187 /nfs/dbraw/zinc/79/51/87/563795187.db2.gz KSVSWZPQOUCGTL-LJQANCHMSA-N 2 2 394.357 2.813 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367444883 563844722 /nfs/dbraw/zinc/84/47/22/563844722.db2.gz LKCLDTLWXMPGPY-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367444883 563844723 /nfs/dbraw/zinc/84/47/23/563844723.db2.gz LKCLDTLWXMPGPY-CYBMUJFWSA-N 2 2 398.320 2.829 20 0 GFADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050082 563862626 /nfs/dbraw/zinc/86/26/26/563862626.db2.gz CIJWOBOUIDTITE-HNNXBMFYSA-N 2 2 382.346 2.614 20 0 GFADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000368050082 563862628 /nfs/dbraw/zinc/86/26/28/563862628.db2.gz CIJWOBOUIDTITE-HNNXBMFYSA-N 2 2 382.346 2.614 20 0 GFADLP COc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368074865 563863397 /nfs/dbraw/zinc/86/33/97/563863397.db2.gz KCCKRIKZZSJAIL-QAPCUYQASA-N 2 2 396.373 2.916 20 0 GFADLP O=C(C[NH2+]Cc1cccc(Br)c1F)NCC[NH+]1CCCCCC1 ZINC000449340398 564182271 /nfs/dbraw/zinc/18/22/71/564182271.db2.gz OKRKPEIERUXZFR-UHFFFAOYSA-N 2 2 386.309 2.670 20 0 GFADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395389 564184821 /nfs/dbraw/zinc/18/48/21/564184821.db2.gz PSLQLSIOUBYCPO-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000449395389 564184824 /nfs/dbraw/zinc/18/48/24/564184824.db2.gz PSLQLSIOUBYCPO-OAHLLOKOSA-N 2 2 378.314 2.934 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449599498 564191055 /nfs/dbraw/zinc/19/10/55/564191055.db2.gz LESUXYGAQZGQRE-SIXWZSSISA-N 2 2 381.358 2.981 20 0 GFADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1Br ZINC000449599498 564191058 /nfs/dbraw/zinc/19/10/58/564191058.db2.gz LESUXYGAQZGQRE-SIXWZSSISA-N 2 2 381.358 2.981 20 0 GFADLP C[C@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763135 564200402 /nfs/dbraw/zinc/20/04/02/564200402.db2.gz IJSKTRLGHLXEKR-CRAIPNDOSA-N 2 2 394.357 2.791 20 0 GFADLP C[C@H](C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1cccc(Br)c1 ZINC000538763135 564200408 /nfs/dbraw/zinc/20/04/08/564200408.db2.gz IJSKTRLGHLXEKR-CRAIPNDOSA-N 2 2 394.357 2.791 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541220861 564269935 /nfs/dbraw/zinc/26/99/35/564269935.db2.gz AYQJAVUBNIIQEW-SFHVURJKSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)cccc1Br ZINC000474604771 564283504 /nfs/dbraw/zinc/28/35/04/564283504.db2.gz YRMCIFHGKAOGJP-MRXNPFEDSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)cccc1Br ZINC000474604771 564283507 /nfs/dbraw/zinc/28/35/07/564283507.db2.gz YRMCIFHGKAOGJP-MRXNPFEDSA-N 2 2 386.309 2.621 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565533586 564285519 /nfs/dbraw/zinc/28/55/19/564285519.db2.gz ACNUXMVTFQLUJX-FRRDWIJNSA-N 2 2 385.302 2.638 20 0 GFADLP Cn1cc(Br)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000566088696 564308255 /nfs/dbraw/zinc/30/82/55/564308255.db2.gz ZCVLTZDCRUWJRG-PBHICJAKSA-N 2 2 377.286 2.528 20 0 GFADLP CSC1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[NH+](C)CC1 ZINC000566770347 564341822 /nfs/dbraw/zinc/34/18/22/564341822.db2.gz RWGPMYQBCDWHQT-UHFFFAOYSA-N 2 2 381.933 2.614 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652992 564381457 /nfs/dbraw/zinc/38/14/57/564381457.db2.gz BDGFZLPHZFZFEH-UKRRQHHQSA-N 2 2 378.318 2.992 20 0 GFADLP C[NH+](C)[C@]1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCSC1 ZINC000567682891 564383639 /nfs/dbraw/zinc/38/36/39/564383639.db2.gz BAZGSJZENGAYLA-INIZCTEOSA-N 2 2 386.359 2.805 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C(C)C)[NH+](C)C)[nH+]c12 ZINC000544772050 564398168 /nfs/dbraw/zinc/39/81/68/564398168.db2.gz BIZGRGOTOROQFP-HNNXBMFYSA-N 2 2 381.318 2.650 20 0 GFADLP C[N@@H+]1CC[C@@H](CNC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514670423 564453961 /nfs/dbraw/zinc/45/39/61/564453961.db2.gz CVUVQYNIXYMCHE-ZBEGNZNMSA-N 2 2 382.892 2.817 20 0 GFADLP C[N@H+]1CC[C@@H](CNC(=O)c2csc(C[NH3+])n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514670423 564453964 /nfs/dbraw/zinc/45/39/64/564453964.db2.gz CVUVQYNIXYMCHE-ZBEGNZNMSA-N 2 2 382.892 2.817 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272021 564467048 /nfs/dbraw/zinc/46/70/48/564467048.db2.gz BJJWYJDAOCFPLD-WBMJQRKESA-N 2 2 399.354 2.742 20 0 GFADLP O=S1(=O)CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(Br)ccc21 ZINC000480272021 564467054 /nfs/dbraw/zinc/46/70/54/564467054.db2.gz BJJWYJDAOCFPLD-WBMJQRKESA-N 2 2 399.354 2.742 20 0 GFADLP COCC[NH2+]C1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000569581897 564469777 /nfs/dbraw/zinc/46/97/77/564469777.db2.gz PKKIRCWHXIVNJU-UHFFFAOYSA-N 2 2 393.329 2.835 20 0 GFADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278365 564481178 /nfs/dbraw/zinc/48/11/78/564481178.db2.gz GMCWKSOFSJMCQM-HZMBPMFUSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000547278365 564481181 /nfs/dbraw/zinc/48/11/81/564481181.db2.gz GMCWKSOFSJMCQM-HZMBPMFUSA-N 2 2 392.135 2.929 20 0 GFADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000515644688 564484651 /nfs/dbraw/zinc/48/46/51/564484651.db2.gz HBRNUPSZLSAUPK-CHWSQXEVSA-N 2 2 398.305 2.576 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083078 564492877 /nfs/dbraw/zinc/49/28/77/564492877.db2.gz LKFUGCXTQBNFQX-UKRRQHHQSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Br)cc1 ZINC000516083078 564492879 /nfs/dbraw/zinc/49/28/79/564492879.db2.gz LKFUGCXTQBNFQX-UKRRQHHQSA-N 2 2 391.313 2.849 20 0 GFADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1I ZINC000481175369 564504745 /nfs/dbraw/zinc/50/47/45/564504745.db2.gz PVWOQOUOCGVSKW-CYBMUJFWSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547979826 564526333 /nfs/dbraw/zinc/52/63/33/564526333.db2.gz QBVMGGIEYZVVAV-SWLSCSKDSA-N 2 2 377.286 2.967 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000571156119 564538041 /nfs/dbraw/zinc/53/80/41/564538041.db2.gz YIRWLPBCLVNJFE-HNNXBMFYSA-N 2 2 394.317 2.641 20 0 GFADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Br)cn1 ZINC000518276270 564549660 /nfs/dbraw/zinc/54/96/60/564549660.db2.gz BRQMJXFENVDTRI-AWEZNQCLSA-N 2 2 390.329 2.842 20 0 GFADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000521622826 564631985 /nfs/dbraw/zinc/63/19/85/564631985.db2.gz FGLYPDPNIKNDOV-WMZOPIPTSA-N 2 2 398.320 2.746 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000486038004 564636903 /nfs/dbraw/zinc/63/69/03/564636903.db2.gz OIMYBEBSBXZKIX-AWEZNQCLSA-N 2 2 375.822 2.755 20 0 GFADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000486038004 564636906 /nfs/dbraw/zinc/63/69/06/564636906.db2.gz OIMYBEBSBXZKIX-AWEZNQCLSA-N 2 2 375.822 2.755 20 0 GFADLP C[C@H]1CN(Cc2cccc(O)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459557274 564750717 /nfs/dbraw/zinc/75/07/17/564750717.db2.gz JHLFEMBIEZCOKG-AWEZNQCLSA-N 2 2 382.346 2.755 20 0 GFADLP C[C@H]1CN(Cc2cccc(O)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459557274 564750718 /nfs/dbraw/zinc/75/07/18/564750718.db2.gz JHLFEMBIEZCOKG-AWEZNQCLSA-N 2 2 382.346 2.755 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842590 564774753 /nfs/dbraw/zinc/77/47/53/564774753.db2.gz HVHJVMQMPMOVNM-QGZVFWFLSA-N 2 2 398.320 2.889 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000554842590 564774758 /nfs/dbraw/zinc/77/47/58/564774758.db2.gz HVHJVMQMPMOVNM-QGZVFWFLSA-N 2 2 398.320 2.889 20 0 GFADLP CSCc1cnc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000555510783 564795916 /nfs/dbraw/zinc/79/59/16/564795916.db2.gz SAJMXVDCMWDSGK-UHFFFAOYSA-N 2 2 376.595 2.914 20 0 GFADLP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)CC2 ZINC000493916617 564813154 /nfs/dbraw/zinc/81/31/54/564813154.db2.gz LOMDJKVLXBALOV-QGZVFWFLSA-N 2 2 394.357 2.887 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCC(=O)NC3(C)C)[nH+]c12 ZINC000494933384 564844994 /nfs/dbraw/zinc/84/49/94/564844994.db2.gz UXVVNUDERZPDMV-AWEZNQCLSA-N 2 2 379.302 2.595 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@@H](C[NH3+])C1 ZINC000562762602 565041803 /nfs/dbraw/zinc/04/18/03/565041803.db2.gz LEHDTYDEHBQPCA-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)[C@@H](C[NH3+])C1 ZINC000562762602 565041806 /nfs/dbraw/zinc/04/18/06/565041806.db2.gz LEHDTYDEHBQPCA-JTQLQIEISA-N 2 2 395.223 2.575 20 0 GFADLP Cc1cc(Br)cn2c(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)c[nH+]c12 ZINC000563135448 565056923 /nfs/dbraw/zinc/05/69/23/565056923.db2.gz MFVSIPFDTACGTR-CQSZACIVSA-N 2 2 393.329 2.593 20 0 GFADLP O=C(CSCC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000584716640 565093691 /nfs/dbraw/zinc/09/36/91/565093691.db2.gz HRXREPKTAXWMER-UHFFFAOYSA-N 2 2 381.973 2.717 20 0 GFADLP Brc1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)OCO2 ZINC000657751361 565125643 /nfs/dbraw/zinc/12/56/43/565125643.db2.gz RBFGEOUAUFPGEL-CQSZACIVSA-N 2 2 383.286 2.521 20 0 GFADLP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)c1 ZINC000637211522 565144832 /nfs/dbraw/zinc/14/48/32/565144832.db2.gz NVMAGCMJLBBHFU-MRXNPFEDSA-N 2 2 384.311 2.872 20 0 GFADLP Cc1cc(Br)c(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659027883 565199370 /nfs/dbraw/zinc/19/93/70/565199370.db2.gz LUCCXSIQIKYBKV-JTQLQIEISA-N 2 2 375.698 2.518 20 0 GFADLP Cc1cc(Br)c(Cl)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659027883 565199375 /nfs/dbraw/zinc/19/93/75/565199375.db2.gz LUCCXSIQIKYBKV-JTQLQIEISA-N 2 2 375.698 2.518 20 0 GFADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC000638586342 565202485 /nfs/dbraw/zinc/20/24/85/565202485.db2.gz QKTAYTCAQJWEIU-KBPBESRZSA-N 2 2 386.359 2.771 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC000638586345 565202494 /nfs/dbraw/zinc/20/24/94/565202494.db2.gz QKTAYTCAQJWEIU-ZIAGYGMSSA-N 2 2 386.359 2.771 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647917 565222330 /nfs/dbraw/zinc/22/23/30/565222330.db2.gz YRXLLFNGECBHFW-PBHICJAKSA-N 2 2 397.361 2.835 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000617762517 565256524 /nfs/dbraw/zinc/25/65/24/565256524.db2.gz QWVGPFCAAILEIH-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)cc(F)cc1Br ZINC000617762517 565256532 /nfs/dbraw/zinc/25/65/32/565256532.db2.gz QWVGPFCAAILEIH-UHFFFAOYSA-N 2 2 394.716 2.855 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617762727 565257300 /nfs/dbraw/zinc/25/73/00/565257300.db2.gz XKFBFMYTOWHPJS-DLBZAZTESA-N 2 2 382.346 2.552 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617762727 565257302 /nfs/dbraw/zinc/25/73/02/565257302.db2.gz XKFBFMYTOWHPJS-DLBZAZTESA-N 2 2 382.346 2.552 20 0 GFADLP [NH3+][C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1Br ZINC000662377399 565364819 /nfs/dbraw/zinc/36/48/19/565364819.db2.gz ZZNGFJDODILXEK-QGZVFWFLSA-N 2 2 389.297 2.761 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641424559 565371589 /nfs/dbraw/zinc/37/15/89/565371589.db2.gz KRNUZRNLCWPWFF-CJNGLKHVSA-N 2 2 383.334 2.575 20 0 GFADLP COc1nsc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1Br ZINC000641775932 565398750 /nfs/dbraw/zinc/39/87/50/565398750.db2.gz PLHUNZUYFDTJEA-UHFFFAOYSA-N 2 2 384.290 2.981 20 0 GFADLP FC(F)(F)c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641787555 565399297 /nfs/dbraw/zinc/39/92/97/565399297.db2.gz VFRBUWXMCLAVNF-HNNXBMFYSA-N 2 2 377.476 2.653 20 0 GFADLP FC(F)(F)c1cscc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787711 565399767 /nfs/dbraw/zinc/39/97/67/565399767.db2.gz YPEOXJNBNSQXCR-OAHLLOKOSA-N 2 2 377.476 2.653 20 0 GFADLP CN(C(=O)c1cccc(F)c1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398544 565523872 /nfs/dbraw/zinc/52/38/72/565523872.db2.gz JYTWHJHSLKAGEY-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C(=O)c1cccc(F)c1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398544 565523875 /nfs/dbraw/zinc/52/38/75/565523875.db2.gz JYTWHJHSLKAGEY-AWEZNQCLSA-N 2 2 398.320 2.829 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300530 565760390 /nfs/dbraw/zinc/76/03/90/565760390.db2.gz OPBLMMNSPNSWAB-HUUCEWRRSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000671300530 565760394 /nfs/dbraw/zinc/76/03/94/565760394.db2.gz OPBLMMNSPNSWAB-HUUCEWRRSA-N 2 2 376.444 2.825 20 0 GFADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000628280027 565782182 /nfs/dbraw/zinc/78/21/82/565782182.db2.gz MFSLLHSTFHZLPD-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1Br ZINC000628280027 565782186 /nfs/dbraw/zinc/78/21/86/565782186.db2.gz MFSLLHSTFHZLPD-JWTNVVGKSA-N 2 2 393.373 2.895 20 0 GFADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917949 566095704 /nfs/dbraw/zinc/09/57/04/566095704.db2.gz BURRDNAPMSSIRZ-RISCZKNCSA-N 2 2 378.826 2.618 20 0 GFADLP C[C@H](Nc1cc[nH+]cc1Br)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000681386601 566105116 /nfs/dbraw/zinc/10/51/16/566105116.db2.gz CYVCKUIDPJNQDU-KSSFIOAISA-N 2 2 376.298 2.967 20 0 GFADLP C[C@H](Nc1cc[nH+]cc1Br)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000681386601 566105118 /nfs/dbraw/zinc/10/51/18/566105118.db2.gz CYVCKUIDPJNQDU-KSSFIOAISA-N 2 2 376.298 2.967 20 0 GFADLP C[NH+]1CCC(CNC(=O)C(=O)c2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000683204645 566189150 /nfs/dbraw/zinc/18/91/50/566189150.db2.gz BQUUUMODIOTYMT-UHFFFAOYSA-N 2 2 383.945 2.651 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792011 607470668 /nfs/dbraw/zinc/47/06/68/607470668.db2.gz MMIRHEYNYMQDLQ-KUHUBIRLSA-N 2 2 375.480 2.868 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792011 607470669 /nfs/dbraw/zinc/47/06/69/607470669.db2.gz MMIRHEYNYMQDLQ-KUHUBIRLSA-N 2 2 375.480 2.868 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823792009 607470779 /nfs/dbraw/zinc/47/07/79/607470779.db2.gz MMIRHEYNYMQDLQ-AUUYWEPGSA-N 2 2 375.480 2.868 20 0 GFADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823792009 607470780 /nfs/dbraw/zinc/47/07/80/607470780.db2.gz MMIRHEYNYMQDLQ-AUUYWEPGSA-N 2 2 375.480 2.868 20 0 GFADLP c1cc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517968 607479110 /nfs/dbraw/zinc/47/91/10/607479110.db2.gz WWNPEDYTIXGFQU-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517968 607479112 /nfs/dbraw/zinc/47/91/12/607479112.db2.gz WWNPEDYTIXGFQU-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517968 607479114 /nfs/dbraw/zinc/47/91/14/607479114.db2.gz WWNPEDYTIXGFQU-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP c1cc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)c1 ZINC000826517968 607479115 /nfs/dbraw/zinc/47/91/15/607479115.db2.gz WWNPEDYTIXGFQU-YLJYHZDGSA-N 2 2 382.512 2.584 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826182263 607615714 /nfs/dbraw/zinc/61/57/14/607615714.db2.gz FVYBCAYHNYDPMI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000826182263 607615715 /nfs/dbraw/zinc/61/57/15/607615715.db2.gz FVYBCAYHNYDPMI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000826182263 607615716 /nfs/dbraw/zinc/61/57/16/607615716.db2.gz FVYBCAYHNYDPMI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000826182263 607615717 /nfs/dbraw/zinc/61/57/17/607615717.db2.gz FVYBCAYHNYDPMI-SJORKVTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826168982 608362782 /nfs/dbraw/zinc/36/27/82/608362782.db2.gz DTFSHHADSURGBI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000826168982 608362784 /nfs/dbraw/zinc/36/27/84/608362784.db2.gz DTFSHHADSURGBI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000826168982 608362786 /nfs/dbraw/zinc/36/27/86/608362786.db2.gz DTFSHHADSURGBI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000826168982 608362787 /nfs/dbraw/zinc/36/27/87/608362787.db2.gz DTFSHHADSURGBI-DLBZAZTESA-N 2 2 384.528 2.962 20 0 GFADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935735 608638727 /nfs/dbraw/zinc/63/87/27/608638727.db2.gz CRWHGPXEODARBB-IRXDYDNUSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935735 608638729 /nfs/dbraw/zinc/63/87/29/608638729.db2.gz CRWHGPXEODARBB-IRXDYDNUSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935735 608638731 /nfs/dbraw/zinc/63/87/31/608638731.db2.gz CRWHGPXEODARBB-IRXDYDNUSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000824935735 608638734 /nfs/dbraw/zinc/63/87/34/608638734.db2.gz CRWHGPXEODARBB-IRXDYDNUSA-N 2 2 394.527 2.601 20 0 GFADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824656829 609245301 /nfs/dbraw/zinc/24/53/01/609245301.db2.gz NIKBHQFRPUXRLR-HNNXBMFYSA-N 2 2 392.511 2.965 20 0 GFADLP Cc1c([C@@H](C)[NH2+]CCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268699978 654983309 /nfs/dbraw/zinc/98/33/09/654983309.db2.gz AXBGSMRGXOLESU-GFCCVEGCSA-N 2 2 375.274 2.886 20 0 GFADLP COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365908634 655396363 /nfs/dbraw/zinc/39/63/63/655396363.db2.gz PEMIOFXCALZVMG-GFCCVEGCSA-N 2 2 386.323 2.900 20 0 GFADLP COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365908634 655396364 /nfs/dbraw/zinc/39/63/64/655396364.db2.gz PEMIOFXCALZVMG-GFCCVEGCSA-N 2 2 386.323 2.900 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262135375 655444081 /nfs/dbraw/zinc/44/40/81/655444081.db2.gz ONIUKFSQLCILFR-CQSZACIVSA-N 2 2 390.272 2.530 20 0 GFADLP FC(F)Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262135375 655444082 /nfs/dbraw/zinc/44/40/82/655444082.db2.gz ONIUKFSQLCILFR-CQSZACIVSA-N 2 2 390.272 2.530 20 0 GFADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000840766586 661185346 /nfs/dbraw/zinc/18/53/46/661185346.db2.gz CEHRQXPHWOOXGI-CQSZACIVSA-N 2 2 377.945 2.974 20 0 GFADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000840766586 661185351 /nfs/dbraw/zinc/18/53/51/661185351.db2.gz CEHRQXPHWOOXGI-CQSZACIVSA-N 2 2 377.945 2.974 20 0 GFADLP Cn1nc(Br)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000785417148 657362853 /nfs/dbraw/zinc/36/28/53/657362853.db2.gz BYMSXNJVICSSHG-UHFFFAOYSA-N 2 2 377.330 2.979 20 0 GFADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963839 661963625 /nfs/dbraw/zinc/96/36/25/661963625.db2.gz SCQXTAFQTNZOEU-OAHLLOKOSA-N 2 2 376.372 2.979 20 0 GFADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000854963839 661963632 /nfs/dbraw/zinc/96/36/32/661963632.db2.gz SCQXTAFQTNZOEU-OAHLLOKOSA-N 2 2 376.372 2.979 20 0 GFADLP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Br)n1 ZINC000862306451 662279677 /nfs/dbraw/zinc/27/96/77/662279677.db2.gz AHKLKFNQZXXMDW-UHFFFAOYSA-N 2 2 385.350 2.507 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544619 662336003 /nfs/dbraw/zinc/33/60/03/662336003.db2.gz ZHEIUAHRBAMDEM-AEFFLSMTSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000863544619 662336005 /nfs/dbraw/zinc/33/60/05/662336005.db2.gz ZHEIUAHRBAMDEM-AEFFLSMTSA-N 2 2 378.314 2.778 20 0 GFADLP Cc1ccnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000865410048 662419321 /nfs/dbraw/zinc/41/93/21/662419321.db2.gz GGFCINCFXFGTEL-UHFFFAOYSA-N 2 2 390.329 2.589 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749641 662440862 /nfs/dbraw/zinc/44/08/62/662440862.db2.gz USRLCVDEXVNXNK-NSHDSACASA-N 2 2 377.432 2.790 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749641 662440863 /nfs/dbraw/zinc/44/08/63/662440863.db2.gz USRLCVDEXVNXNK-NSHDSACASA-N 2 2 377.432 2.790 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)c1ccsc1 ZINC000870863669 662703785 /nfs/dbraw/zinc/70/37/85/662703785.db2.gz UJZNUSSXPCUFOQ-HUUCEWRRSA-N 2 2 382.327 2.930 20 0 GFADLP COCCNc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872743374 662787715 /nfs/dbraw/zinc/78/77/15/662787715.db2.gz APPPJPZTHJTWGZ-UHFFFAOYSA-N 2 2 387.619 2.990 20 0 GFADLP COCCNc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872743374 662787716 /nfs/dbraw/zinc/78/77/16/662787716.db2.gz APPPJPZTHJTWGZ-UHFFFAOYSA-N 2 2 387.619 2.990 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892046 662867638 /nfs/dbraw/zinc/86/76/38/662867638.db2.gz GFHQAVLRJMUDBR-FBUXBERBSA-N 2 2 375.822 2.571 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876892046 662867639 /nfs/dbraw/zinc/86/76/39/662867639.db2.gz GFHQAVLRJMUDBR-FBUXBERBSA-N 2 2 375.822 2.571 20 0 GFADLP COc1ccc(Br)c(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913608 663811098 /nfs/dbraw/zinc/81/10/98/663811098.db2.gz PVIFBEXOLIMLMW-CQSZACIVSA-N 2 2 395.345 2.749 20 0 GFADLP COc1ccc(Br)c(C[N@@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903913608 663811100 /nfs/dbraw/zinc/81/11/00/663811100.db2.gz PVIFBEXOLIMLMW-CQSZACIVSA-N 2 2 395.345 2.749 20 0 GFADLP Clc1ccc(Br)c(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903931762 663812583 /nfs/dbraw/zinc/81/25/83/663812583.db2.gz HROJBJVFIBUDMZ-ZDUSSCGKSA-N 2 2 384.709 2.908 20 0 GFADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921541603 664552819 /nfs/dbraw/zinc/55/28/19/664552819.db2.gz IWWCIXJTYQLOBC-UHFFFAOYSA-N 2 2 392.345 2.600 20 0 GFADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451745 664630823 /nfs/dbraw/zinc/63/08/23/664630823.db2.gz CLXVYRBWWAWMAO-KGLIPLIRSA-N 2 2 396.329 2.606 20 0 GFADLP CCOc1c(Cl)cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000926092878 664681574 /nfs/dbraw/zinc/68/15/74/664681574.db2.gz GXRJMTAEUBYJJD-UHFFFAOYSA-N 2 2 375.300 2.937 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc3ccccc3nc2Br)CC1 ZINC000926105088 664681797 /nfs/dbraw/zinc/68/17/97/664681797.db2.gz WDCQDNMUIDLQRM-UHFFFAOYSA-N 2 2 392.301 2.542 20 0 GFADLP Cc1c(Br)cncc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000934252556 664894056 /nfs/dbraw/zinc/89/40/56/664894056.db2.gz LYTZXHWLUZSQAA-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP Cc1c(Br)cncc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000934252556 664894060 /nfs/dbraw/zinc/89/40/60/664894060.db2.gz LYTZXHWLUZSQAA-UHFFFAOYSA-N 2 2 398.349 2.642 20 0 GFADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818754 720150662 /nfs/dbraw/zinc/15/06/62/720150662.db2.gz UMPJKUYMDGVIBF-ZBVIIRNFSA-N 2 2 399.535 2.761 20 0 GFADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)C2 ZINC001164818754 720150664 /nfs/dbraw/zinc/15/06/64/720150664.db2.gz UMPJKUYMDGVIBF-ZBVIIRNFSA-N 2 2 399.535 2.761 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839288 720572693 /nfs/dbraw/zinc/57/26/93/720572693.db2.gz PUOYNSNTLSNIIH-HSALFYBXSA-N 2 2 397.571 2.897 20 0 GFADLP CCN(CC)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc[nH+]1 ZINC001164839288 720572697 /nfs/dbraw/zinc/57/26/97/720572697.db2.gz PUOYNSNTLSNIIH-HSALFYBXSA-N 2 2 397.571 2.897 20 0 GFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164740027 720833428 /nfs/dbraw/zinc/83/34/28/720833428.db2.gz BOYGIKYPRYLGFE-PCCBWWKXSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(C5CC5)cc[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164740027 720833429 /nfs/dbraw/zinc/83/34/29/720833429.db2.gz BOYGIKYPRYLGFE-PCCBWWKXSA-N 2 2 378.524 2.930 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744015 720851642 /nfs/dbraw/zinc/85/16/42/720851642.db2.gz BFOOYJRGMPKVDN-VAMGGRTRSA-N 2 2 393.539 2.633 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC001164744015 720851645 /nfs/dbraw/zinc/85/16/45/720851645.db2.gz BFOOYJRGMPKVDN-VAMGGRTRSA-N 2 2 393.539 2.633 20 0 GFADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCC[C@@]4(COc4ccccn4)C3)[nH+]2)CC1 ZINC001164794602 721506586 /nfs/dbraw/zinc/50/65/86/721506586.db2.gz ATLDECQLKWLFBH-CVDCTZTESA-N 2 2 393.535 2.914 20 0 GFADLP CCCc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)[nH+]1 ZINC001164983339 722130131 /nfs/dbraw/zinc/13/01/31/722130131.db2.gz UKADRKMESVOGGE-CTNGQTDRSA-N 2 2 381.524 2.860 20 0 GFADLP CCCc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C)[nH+]1 ZINC001164983339 722130133 /nfs/dbraw/zinc/13/01/33/722130133.db2.gz UKADRKMESVOGGE-CTNGQTDRSA-N 2 2 381.524 2.860 20 0 GFADLP Cc1cc2ccccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC001164997754 722235744 /nfs/dbraw/zinc/23/57/44/722235744.db2.gz VIBZKTVBHWRQDP-UHFFFAOYSA-N 2 2 388.519 2.690 20 0 GFADLP Cc1cc(N2CCC(N(C)C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000359942289 212126399 /nfs/dbraw/zinc/12/63/99/212126399.db2.gz SVLRAQXEZIODJL-NRFANRHFSA-N 2 2 381.524 2.824 20 0 GFADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000359909636 212123899 /nfs/dbraw/zinc/12/38/99/212123899.db2.gz PQQIDIUJQKGCAS-HXUWFJFHSA-N 2 2 375.476 2.796 20 0 GFADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000359909636 212123902 /nfs/dbraw/zinc/12/39/02/212123902.db2.gz PQQIDIUJQKGCAS-HXUWFJFHSA-N 2 2 375.476 2.796 20 0 GFADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000068660259 551193095 /nfs/dbraw/zinc/19/30/95/551193095.db2.gz REAHFMIITIDMEQ-UHFFFAOYSA-N 2 2 391.313 2.644 20 0 GFADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154270312 551470781 /nfs/dbraw/zinc/47/07/81/551470781.db2.gz UCHQHMKTQWSRAT-DYVFJYSZSA-N 2 2 381.314 2.882 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000167616500 551633563 /nfs/dbraw/zinc/63/35/63/551633563.db2.gz CKILZNSYJOSGPT-DLBZAZTESA-N 2 2 380.330 2.796 20 0 GFADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000168961928 551634885 /nfs/dbraw/zinc/63/48/85/551634885.db2.gz ZXWVWZMSFMRLDA-IBGZPJMESA-N 2 2 398.389 2.880 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000175671696 552127019 /nfs/dbraw/zinc/12/70/19/552127019.db2.gz WPUDODIRQPAQSV-UHFFFAOYSA-N 2 2 387.355 2.861 20 0 GFADLP C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177144757 552150647 /nfs/dbraw/zinc/15/06/47/552150647.db2.gz DODPOFGTXJLDAD-CYBMUJFWSA-N 2 2 388.339 2.903 20 0 GFADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000181028953 552243217 /nfs/dbraw/zinc/24/32/17/552243217.db2.gz CJOJDGIJHABSNH-NEPJUHHUSA-N 2 2 392.352 2.639 20 0 GFADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000181038469 552243463 /nfs/dbraw/zinc/24/34/63/552243463.db2.gz SKALNTXNICUAJJ-ZFWWWQNUSA-N 2 2 386.323 2.577 20 0 GFADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000237229748 553076016 /nfs/dbraw/zinc/07/60/16/553076016.db2.gz SJOBVKDEEZDOHM-INIZCTEOSA-N 2 2 376.551 2.809 20 0 GFADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000237229748 553076017 /nfs/dbraw/zinc/07/60/17/553076017.db2.gz SJOBVKDEEZDOHM-INIZCTEOSA-N 2 2 376.551 2.809 20 0 GFADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237754490 553081627 /nfs/dbraw/zinc/08/16/27/553081627.db2.gz YSWDBLSXLURPSR-XJKSGUPXSA-N 2 2 385.936 2.827 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762316 553134438 /nfs/dbraw/zinc/13/44/38/553134438.db2.gz GRXGDASURDDMNE-VBQJREDUSA-N 2 2 380.330 2.935 20 0 GFADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248762316 553134440 /nfs/dbraw/zinc/13/44/40/553134440.db2.gz GRXGDASURDDMNE-VBQJREDUSA-N 2 2 380.330 2.935 20 0 GFADLP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000262311111 553168726 /nfs/dbraw/zinc/16/87/26/553168726.db2.gz PUBRFDXOVVGGMT-UHFFFAOYSA-N 2 2 389.359 2.544 20 0 GFADLP Brc1cnc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000473987468 564260590 /nfs/dbraw/zinc/26/05/90/564260590.db2.gz NMQSWRNCZYYRFQ-JTQLQIEISA-N 2 2 386.091 2.908 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418314290 563215744 /nfs/dbraw/zinc/21/57/44/563215744.db2.gz SAAJHMFAOIWBQU-MRXNPFEDSA-N 2 2 383.334 2.576 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000369883059 563227255 /nfs/dbraw/zinc/22/72/55/563227255.db2.gz PESFAYKNGBPVJQ-MAUKXSAKSA-N 2 2 382.346 2.506 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299412 563271385 /nfs/dbraw/zinc/27/13/85/563271385.db2.gz GPVAQOQBIDSMJK-CWRNSKLLSA-N 2 2 385.961 2.543 20 0 GFADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299412 563271386 /nfs/dbraw/zinc/27/13/86/563271386.db2.gz GPVAQOQBIDSMJK-CWRNSKLLSA-N 2 2 385.961 2.543 20 0 GFADLP CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371974575 563293073 /nfs/dbraw/zinc/29/30/73/563293073.db2.gz PQXRIFJRTGRYGE-AWEZNQCLSA-N 2 2 386.323 2.940 20 0 GFADLP CN(C(=O)c1c(O)cc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371974575 563293075 /nfs/dbraw/zinc/29/30/75/563293075.db2.gz PQXRIFJRTGRYGE-AWEZNQCLSA-N 2 2 386.323 2.940 20 0 GFADLP COc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000422948575 563351289 /nfs/dbraw/zinc/35/12/89/563351289.db2.gz SNKITSVVSGFMEA-CWRNSKLLSA-N 2 2 399.329 2.713 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2cccc(Br)c2)CCOCC1 ZINC000422944536 563351667 /nfs/dbraw/zinc/35/16/67/563351667.db2.gz MLFRYUXSMHKCCH-QAPCUYQASA-N 2 2 397.357 2.854 20 0 GFADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302172697 563422921 /nfs/dbraw/zinc/42/29/21/563422921.db2.gz UZDZHUYTFJZNMO-ZDUSSCGKSA-N 2 2 389.297 2.826 20 0 GFADLP C[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)[N@@H+]1CCc2sccc2C1 ZINC000302804572 563430392 /nfs/dbraw/zinc/43/03/92/563430392.db2.gz WEKXFZIUJXEZSR-CQSZACIVSA-N 2 2 375.567 2.950 20 0 GFADLP C[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)[N@H+]1CCc2sccc2C1 ZINC000302804572 563430394 /nfs/dbraw/zinc/43/03/94/563430394.db2.gz WEKXFZIUJXEZSR-CQSZACIVSA-N 2 2 375.567 2.950 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368091 563504465 /nfs/dbraw/zinc/50/44/65/563504465.db2.gz UHFYJPSHGMPHQN-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP C[C@H]1CN(C(=O)c2cc(F)ccc2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368091 563504468 /nfs/dbraw/zinc/50/44/68/563504468.db2.gz UHFYJPSHGMPHQN-ZDUSSCGKSA-N 2 2 398.320 2.829 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)[nH+]cc1Br ZINC000332039648 563572923 /nfs/dbraw/zinc/57/29/23/563572923.db2.gz KHQORABMMRLRGB-STQMWFEESA-N 2 2 382.306 2.658 20 0 GFADLP CN(C)c1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)[nH+]cc1Br ZINC000332039648 563572926 /nfs/dbraw/zinc/57/29/26/563572926.db2.gz KHQORABMMRLRGB-STQMWFEESA-N 2 2 382.306 2.658 20 0 GFADLP Brc1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2ccccn21 ZINC000289089681 563667546 /nfs/dbraw/zinc/66/75/46/563667546.db2.gz LFYDFLXZYPLTSN-UHFFFAOYSA-N 2 2 393.329 2.641 20 0 GFADLP COC[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414936246 563754746 /nfs/dbraw/zinc/75/47/46/563754746.db2.gz BUUZLKCUPRUMID-HNNXBMFYSA-N 2 2 379.245 2.909 20 0 GFADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000445888385 563855354 /nfs/dbraw/zinc/85/53/54/563855354.db2.gz UTTRVHZWQZEQFZ-OAHLLOKOSA-N 2 2 377.476 2.959 20 0 GFADLP Cc1c(Br)scc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368431888 563870361 /nfs/dbraw/zinc/87/03/61/563870361.db2.gz CELJHBNSOWETQX-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1c(Br)scc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368431888 563870365 /nfs/dbraw/zinc/87/03/65/563870365.db2.gz CELJHBNSOWETQX-GFCCVEGCSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)c[nH+]c12 ZINC000368500837 563872116 /nfs/dbraw/zinc/87/21/16/563872116.db2.gz YPHAMYDBBDTWFN-GDBMZVCRSA-N 2 2 377.286 2.552 20 0 GFADLP Cc1nn(C)c(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1Br ZINC000447922287 563890768 /nfs/dbraw/zinc/89/07/68/563890768.db2.gz AFWXFQNSURGXAA-UHFFFAOYSA-N 2 2 399.377 2.863 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])[nH+]c12 ZINC000418021982 563895537 /nfs/dbraw/zinc/89/55/37/563895537.db2.gz QKHPPLPNMPFHFS-DOMZBBRYSA-N 2 2 394.317 2.722 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@@H](C[NH3+])CC(C)C)[nH+]c12 ZINC000418020665 563895702 /nfs/dbraw/zinc/89/57/02/563895702.db2.gz NPDQFMJMAFOCIB-CYBMUJFWSA-N 2 2 382.306 2.578 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1Cc1ccccc1 ZINC000449373728 564182209 /nfs/dbraw/zinc/18/22/09/564182209.db2.gz CLJPFQOSSZSWIA-CRAIPNDOSA-N 2 2 390.325 2.863 20 0 GFADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1Cc1ccccc1 ZINC000449373728 564182213 /nfs/dbraw/zinc/18/22/13/564182213.db2.gz CLJPFQOSSZSWIA-CRAIPNDOSA-N 2 2 390.325 2.863 20 0 GFADLP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000563340170 564186533 /nfs/dbraw/zinc/18/65/33/564186533.db2.gz WVIULEAEMJMPTO-UHFFFAOYSA-N 2 2 390.272 2.514 20 0 GFADLP C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000510572183 564339698 /nfs/dbraw/zinc/33/96/98/564339698.db2.gz KGZDRJRGLYLBEO-GFCCVEGCSA-N 2 2 392.301 2.546 20 0 GFADLP C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000510572183 564339702 /nfs/dbraw/zinc/33/97/02/564339702.db2.gz KGZDRJRGLYLBEO-GFCCVEGCSA-N 2 2 392.301 2.546 20 0 GFADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396550 564348787 /nfs/dbraw/zinc/34/87/87/564348787.db2.gz SDMXQXONQOPYPF-CYBMUJFWSA-N 2 2 376.507 2.774 20 0 GFADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543396550 564348792 /nfs/dbraw/zinc/34/87/92/564348792.db2.gz SDMXQXONQOPYPF-CYBMUJFWSA-N 2 2 376.507 2.774 20 0 GFADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)COc1cc(F)cc(Br)c1 ZINC000567690477 564383519 /nfs/dbraw/zinc/38/35/19/564383519.db2.gz BZZAIOKJYCICMA-HNNXBMFYSA-N 2 2 398.276 2.815 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)s1 ZINC000511929282 564385909 /nfs/dbraw/zinc/38/59/09/564385909.db2.gz ZRTMRZJRNWUZGP-OAHLLOKOSA-N 2 2 382.892 2.892 20 0 GFADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)cc(F)c3F)C2)nn1 ZINC000568401154 564417588 /nfs/dbraw/zinc/41/75/88/564417588.db2.gz FBEOPUXVCRCGLH-CYBMUJFWSA-N 2 2 386.244 2.615 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058400 564423974 /nfs/dbraw/zinc/42/39/74/564423974.db2.gz JLBVCYQSHVTXPN-VWYCJHECSA-N 2 2 380.341 2.774 20 0 GFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479058400 564423977 /nfs/dbraw/zinc/42/39/77/564423977.db2.gz JLBVCYQSHVTXPN-VWYCJHECSA-N 2 2 380.341 2.774 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(I)cc1 ZINC000453261102 564451147 /nfs/dbraw/zinc/45/11/47/564451147.db2.gz JWDOECDPYGWSFN-BBRMVZONSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(I)cc1 ZINC000453261102 564451150 /nfs/dbraw/zinc/45/11/50/564451150.db2.gz JWDOECDPYGWSFN-BBRMVZONSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C[C@@H](C)O1 ZINC000516762714 564511965 /nfs/dbraw/zinc/51/19/65/564511965.db2.gz KZZJVDAGBLXMPM-HSANBRHQSA-N 2 2 397.357 2.755 20 0 GFADLP C[C@H]1CN(c2ccc(CNc3cc[nH+]cc3Br)c[nH+]2)C[C@H](C)O1 ZINC000547825845 564512270 /nfs/dbraw/zinc/51/22/70/564512270.db2.gz ZNFYSJNQIXRKGD-STQMWFEESA-N 2 2 377.286 2.887 20 0 GFADLP CS[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1[NH+]1CCCC1 ZINC000483407848 564566994 /nfs/dbraw/zinc/56/69/94/564566994.db2.gz RYYXWFMPMNYMGJ-KURKYZTESA-N 2 2 381.973 2.981 20 0 GFADLP CN(C)c1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)[nH+]cc1Br ZINC000455864702 564576869 /nfs/dbraw/zinc/57/68/69/564576869.db2.gz LBOLEVUDRZBWCC-UHFFFAOYSA-N 2 2 382.306 2.658 20 0 GFADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000572955701 564617352 /nfs/dbraw/zinc/61/73/52/564617352.db2.gz NZVRUSKGFQLRKM-GFCCVEGCSA-N 2 2 384.322 2.762 20 0 GFADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000572955701 564617357 /nfs/dbraw/zinc/61/73/57/564617357.db2.gz NZVRUSKGFQLRKM-GFCCVEGCSA-N 2 2 384.322 2.762 20 0 GFADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCCNc1cccc[nH+]1 ZINC000551264944 564644847 /nfs/dbraw/zinc/64/48/47/564644847.db2.gz GVHSZHADNNVPNB-CQSZACIVSA-N 2 2 379.302 2.876 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551589701 564656375 /nfs/dbraw/zinc/65/63/75/564656375.db2.gz DEGSBGOLPPCNGM-UHFFFAOYSA-N 2 2 394.151 2.924 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551589701 564656378 /nfs/dbraw/zinc/65/63/78/564656378.db2.gz DEGSBGOLPPCNGM-UHFFFAOYSA-N 2 2 394.151 2.924 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766819 564687750 /nfs/dbraw/zinc/68/77/50/564687750.db2.gz SLNDOVCMWLYOPZ-GOSISDBHSA-N 2 2 385.346 2.568 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000574766819 564687752 /nfs/dbraw/zinc/68/77/52/564687752.db2.gz SLNDOVCMWLYOPZ-GOSISDBHSA-N 2 2 385.346 2.568 20 0 GFADLP CC[C@H](Cc1ccccc1Br)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580543677 564763084 /nfs/dbraw/zinc/76/30/84/564763084.db2.gz NOXAYLWJBVWCKV-AHCXZYCDSA-N 2 2 399.373 2.830 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309003 564840403 /nfs/dbraw/zinc/84/04/03/564840403.db2.gz HMGXCFOIISTREO-CZUORRHYSA-N 2 2 389.297 2.777 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000582309003 564840404 /nfs/dbraw/zinc/84/04/04/564840404.db2.gz HMGXCFOIISTREO-CZUORRHYSA-N 2 2 389.297 2.777 20 0 GFADLP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779363 564918380 /nfs/dbraw/zinc/91/83/80/564918380.db2.gz YHQKOYBNOBHRNF-ZWKOTPCHSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000464779363 564918385 /nfs/dbraw/zinc/91/83/85/564918385.db2.gz YHQKOYBNOBHRNF-ZWKOTPCHSA-N 2 2 381.611 2.998 20 0 GFADLP C[NH+](C)[C@@]1(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000467750645 564971138 /nfs/dbraw/zinc/97/11/38/564971138.db2.gz AMJJHGUPXCCURE-GBESFXJTSA-N 2 2 383.989 2.739 20 0 GFADLP C[NH+](C)[C@@]1(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000467750645 564971139 /nfs/dbraw/zinc/97/11/39/564971139.db2.gz AMJJHGUPXCCURE-GBESFXJTSA-N 2 2 383.989 2.739 20 0 GFADLP Cc1c(Br)cccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000535628430 565016938 /nfs/dbraw/zinc/01/69/38/565016938.db2.gz SZYCIBBBDWWGQT-UHFFFAOYSA-N 2 2 390.329 2.936 20 0 GFADLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(Br)c1 ZINC000537614863 565060275 /nfs/dbraw/zinc/06/02/75/565060275.db2.gz FMTHJBUGUACSLZ-UHFFFAOYSA-N 2 2 390.329 2.936 20 0 GFADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657432433 565100110 /nfs/dbraw/zinc/10/01/10/565100110.db2.gz NSOWMELQEYBXON-HNNXBMFYSA-N 2 2 394.288 2.840 20 0 GFADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cncc2Br)C1 ZINC000657432433 565100120 /nfs/dbraw/zinc/10/01/20/565100120.db2.gz NSOWMELQEYBXON-HNNXBMFYSA-N 2 2 394.288 2.840 20 0 GFADLP COc1ccc(C[C@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Br ZINC000657484341 565103550 /nfs/dbraw/zinc/10/35/50/565103550.db2.gz SGDDRWJDAPKGIG-AWEZNQCLSA-N 2 2 394.313 2.541 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658228733 565156467 /nfs/dbraw/zinc/15/64/67/565156467.db2.gz LRYYWFPDKIOEFH-GOEBONIOSA-N 2 2 382.346 2.996 20 0 GFADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658228733 565156471 /nfs/dbraw/zinc/15/64/71/565156471.db2.gz LRYYWFPDKIOEFH-GOEBONIOSA-N 2 2 382.346 2.996 20 0 GFADLP Brc1cnc2c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cnn2c1 ZINC000638364234 565193444 /nfs/dbraw/zinc/19/34/44/565193444.db2.gz XVDWIZNFHCCGTE-UHFFFAOYSA-N 2 2 387.285 2.645 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(Br)cc1Cl ZINC000660139042 565258333 /nfs/dbraw/zinc/25/83/33/565258333.db2.gz GQYRDNOCKXBYPT-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(Br)cc1Cl ZINC000660139042 565258339 /nfs/dbraw/zinc/25/83/39/565258339.db2.gz GQYRDNOCKXBYPT-UHFFFAOYSA-N 2 2 389.769 2.955 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662282949 565358956 /nfs/dbraw/zinc/35/89/56/565358956.db2.gz FFUMSKWTOBKMSQ-BZUAXINKSA-N 2 2 384.318 2.714 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000662282949 565358958 /nfs/dbraw/zinc/35/89/58/565358958.db2.gz FFUMSKWTOBKMSQ-BZUAXINKSA-N 2 2 384.318 2.714 20 0 GFADLP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH+](C2CCCC2)CC1 ZINC000662377506 565364906 /nfs/dbraw/zinc/36/49/06/565364906.db2.gz IXFSSCVCDPTNIW-UHFFFAOYSA-N 2 2 384.343 2.814 20 0 GFADLP CC[C@H]([NH2+]C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000662546490 565376170 /nfs/dbraw/zinc/37/61/70/565376170.db2.gz VAFJRJJGHKEXMH-INIZCTEOSA-N 2 2 379.302 2.672 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)n1 ZINC000665290544 565496266 /nfs/dbraw/zinc/49/62/66/565496266.db2.gz CIPWBBKAYQLBQP-GFCCVEGCSA-N 2 2 381.299 2.730 20 0 GFADLP C[N@@H+]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)C1 ZINC000644887858 565501627 /nfs/dbraw/zinc/50/16/27/565501627.db2.gz JCEDJOKEDGHFTA-MRXNPFEDSA-N 2 2 391.313 2.626 20 0 GFADLP C[N@H+]1CC[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)C1 ZINC000644887858 565501629 /nfs/dbraw/zinc/50/16/29/565501629.db2.gz JCEDJOKEDGHFTA-MRXNPFEDSA-N 2 2 391.313 2.626 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025900 565549077 /nfs/dbraw/zinc/54/90/77/565549077.db2.gz JCQPRPWMUAXGPK-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000597025900 565549082 /nfs/dbraw/zinc/54/90/82/565549082.db2.gz JCQPRPWMUAXGPK-KRWDZBQOSA-N 2 2 381.362 2.753 20 0 GFADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340219 565597729 /nfs/dbraw/zinc/59/77/29/565597729.db2.gz DASXGEAZDLHHDG-WBAXXEDZSA-N 2 2 392.341 2.796 20 0 GFADLP Cc1c(Br)cncc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162413 565629778 /nfs/dbraw/zinc/62/97/78/565629778.db2.gz ZFOFSCNRXLKNBT-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1c(Br)cncc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162413 565629783 /nfs/dbraw/zinc/62/97/83/565629783.db2.gz ZFOFSCNRXLKNBT-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP COc1cc(Br)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(OC)c1 ZINC000668792863 565667653 /nfs/dbraw/zinc/66/76/53/565667653.db2.gz MGBGARXRFAAWGE-UHFFFAOYSA-N 2 2 395.301 2.522 20 0 GFADLP Cc1cc(Br)cn2c(CN3CCO[C@H](CCC[NH+](C)C)C3)c[nH+]c12 ZINC000668785816 565667773 /nfs/dbraw/zinc/66/77/73/565667773.db2.gz YAYKUNVCJXDCJO-QGZVFWFLSA-N 2 2 395.345 2.948 20 0 GFADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985543 565668444 /nfs/dbraw/zinc/66/84/44/565668444.db2.gz SNQCGBJBCNLLAJ-PKOBYXMFSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCSC1 ZINC000625985543 565668447 /nfs/dbraw/zinc/66/84/47/565668447.db2.gz SNQCGBJBCNLLAJ-PKOBYXMFSA-N 2 2 381.973 2.858 20 0 GFADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010252 565670799 /nfs/dbraw/zinc/67/07/99/565670799.db2.gz MAIHGBSPYCYYMS-AEFFLSMTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010252 565670801 /nfs/dbraw/zinc/67/08/01/565670801.db2.gz MAIHGBSPYCYYMS-AEFFLSMTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010252 565670804 /nfs/dbraw/zinc/67/08/04/565670804.db2.gz MAIHGBSPYCYYMS-AEFFLSMTSA-N 2 2 385.346 2.834 20 0 GFADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000626010252 565670808 /nfs/dbraw/zinc/67/08/08/565670808.db2.gz MAIHGBSPYCYYMS-AEFFLSMTSA-N 2 2 385.346 2.834 20 0 GFADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1Cl ZINC000669935028 565708264 /nfs/dbraw/zinc/70/82/64/565708264.db2.gz MJQFDJPNUYJNNV-UHFFFAOYSA-N 2 2 388.737 2.698 20 0 GFADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1Cl ZINC000669935028 565708268 /nfs/dbraw/zinc/70/82/68/565708268.db2.gz MJQFDJPNUYJNNV-UHFFFAOYSA-N 2 2 388.737 2.698 20 0 GFADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC[NH+]3CCSCC3)n2)C1 ZINC000602283501 565836687 /nfs/dbraw/zinc/83/66/87/565836687.db2.gz GCJWRXJKUCQVCI-CQSZACIVSA-N 2 2 383.587 2.545 20 0 GFADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC[NH+]3CCSCC3)n2)C1 ZINC000602283501 565836691 /nfs/dbraw/zinc/83/66/91/565836691.db2.gz GCJWRXJKUCQVCI-CQSZACIVSA-N 2 2 383.587 2.545 20 0 GFADLP Clc1cccc2c1SCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886947 565919660 /nfs/dbraw/zinc/91/96/60/565919660.db2.gz PYLJYENOPBYASQ-YJBOKZPZSA-N 2 2 381.973 2.873 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCCSc1ccccc1Br ZINC000653088690 565954491 /nfs/dbraw/zinc/95/44/91/565954491.db2.gz HPJQGFQASMFIEA-CQSZACIVSA-N 2 2 388.375 2.717 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccc2)c(Br)s1 ZINC000653346840 565964895 /nfs/dbraw/zinc/96/48/95/565964895.db2.gz JBDSYBOSEFBRFC-LLVKDONJSA-N 2 2 383.315 2.790 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888511 565981213 /nfs/dbraw/zinc/98/12/13/565981213.db2.gz WQONKALUZKYLLK-WFASDCNBSA-N 2 2 386.359 2.543 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888511 565981215 /nfs/dbraw/zinc/98/12/15/565981215.db2.gz WQONKALUZKYLLK-WFASDCNBSA-N 2 2 386.359 2.543 20 0 GFADLP Brc1cccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c1 ZINC000655761779 566087050 /nfs/dbraw/zinc/08/70/50/566087050.db2.gz PGXBESATWRXCOH-PKOBYXMFSA-N 2 2 394.357 2.871 20 0 GFADLP Brc1cc2c(c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c1)OCC2 ZINC000655755175 566087201 /nfs/dbraw/zinc/08/72/01/566087201.db2.gz RMUMJSRDSMMCIM-KRWDZBQOSA-N 2 2 381.314 2.727 20 0 GFADLP Cc1c(F)c(Br)ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611978293 566147791 /nfs/dbraw/zinc/14/77/91/566147791.db2.gz NMQZRTZNCLUHGO-UHFFFAOYSA-N 2 2 386.309 2.652 20 0 GFADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1-c1nn[nH]n1 ZINC000821818495 599415462 /nfs/dbraw/zinc/41/54/62/599415462.db2.gz SYNBWOKQTGTUOD-UHFFFAOYSA-N 2 2 393.426 2.798 20 0 GFADLP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C(=O)[O-] ZINC000832881511 601156379 /nfs/dbraw/zinc/15/63/79/601156379.db2.gz FETRUURELTXPEH-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C(=O)[O-] ZINC000832881511 601156380 /nfs/dbraw/zinc/15/63/80/601156380.db2.gz FETRUURELTXPEH-UHFFFAOYSA-N 2 2 377.529 2.914 20 0 GFADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821808531 606479927 /nfs/dbraw/zinc/47/99/27/606479927.db2.gz HQPNDFCPTRDRJB-OXQOHEQNSA-N 2 2 392.507 2.876 20 0 GFADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821808531 606479929 /nfs/dbraw/zinc/47/99/29/606479929.db2.gz HQPNDFCPTRDRJB-OXQOHEQNSA-N 2 2 392.507 2.876 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521287 608135450 /nfs/dbraw/zinc/13/54/50/608135450.db2.gz HAIKQOBQKJKJKS-WDSOQIARSA-N 2 2 378.480 2.850 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521287 608135451 /nfs/dbraw/zinc/13/54/51/608135451.db2.gz HAIKQOBQKJKJKS-WDSOQIARSA-N 2 2 378.480 2.850 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521530 608845583 /nfs/dbraw/zinc/84/55/83/608845583.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000826521530 608845586 /nfs/dbraw/zinc/84/55/86/608845586.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000826521530 608845589 /nfs/dbraw/zinc/84/55/89/608845589.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 2 2 378.480 2.946 20 0 GFADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000826521530 608845591 /nfs/dbraw/zinc/84/55/91/608845591.db2.gz QGCHURHTZLHPDS-HKUYNNGSSA-N 2 2 378.480 2.946 20 0 GFADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340731 655185404 /nfs/dbraw/zinc/18/54/04/655185404.db2.gz PQXQLPBWBIHDQF-IEBWSBKVSA-N 2 2 390.325 2.817 20 0 GFADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000274340731 655185409 /nfs/dbraw/zinc/18/54/09/655185409.db2.gz PQXQLPBWBIHDQF-IEBWSBKVSA-N 2 2 390.325 2.817 20 0 GFADLP Cc1nn(C)c(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1Br ZINC000279166146 655327417 /nfs/dbraw/zinc/32/74/17/655327417.db2.gz QFVGNPTUYMUIRU-AWEZNQCLSA-N 2 2 393.333 2.638 20 0 GFADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192162806 655403236 /nfs/dbraw/zinc/40/32/36/655403236.db2.gz ULOUFXOQMRYXKG-UHFFFAOYSA-N 2 2 397.248 2.981 20 0 GFADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192162806 655403238 /nfs/dbraw/zinc/40/32/38/655403238.db2.gz ULOUFXOQMRYXKG-UHFFFAOYSA-N 2 2 397.248 2.981 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166804 656163546 /nfs/dbraw/zinc/16/35/46/656163546.db2.gz UETOMYAMDVRFEK-SGMGOOAPSA-N 2 2 376.469 2.825 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166804 656163548 /nfs/dbraw/zinc/16/35/48/656163548.db2.gz UETOMYAMDVRFEK-SGMGOOAPSA-N 2 2 376.469 2.825 20 0 GFADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000796284508 658910181 /nfs/dbraw/zinc/91/01/81/658910181.db2.gz RIBRLFAMJVVLBH-AWEZNQCLSA-N 2 2 375.416 2.927 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(Cl)cc1Br ZINC000855414444 661991383 /nfs/dbraw/zinc/99/13/83/661991383.db2.gz DDAMEBHRUHYGDC-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(Cl)cc1Br ZINC000855414444 661991388 /nfs/dbraw/zinc/99/13/88/661991388.db2.gz DDAMEBHRUHYGDC-UHFFFAOYSA-N 2 2 390.753 2.645 20 0 GFADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778861 662043706 /nfs/dbraw/zinc/04/37/06/662043706.db2.gz QXQSDFFWWMMQOP-LLVKDONJSA-N 2 2 378.826 2.569 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000858127373 662100098 /nfs/dbraw/zinc/10/00/98/662100098.db2.gz ZBAGJPVQDMYHGU-QWHCGFSZSA-N 2 2 397.342 2.854 20 0 GFADLP Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000858127373 662100105 /nfs/dbraw/zinc/10/01/05/662100105.db2.gz ZBAGJPVQDMYHGU-QWHCGFSZSA-N 2 2 397.342 2.854 20 0 GFADLP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000873209921 662803903 /nfs/dbraw/zinc/80/39/03/662803903.db2.gz WBCYJBUXMSQVLK-MRXNPFEDSA-N 2 2 394.338 2.815 20 0 GFADLP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000873209921 662803904 /nfs/dbraw/zinc/80/39/04/662803904.db2.gz WBCYJBUXMSQVLK-MRXNPFEDSA-N 2 2 394.338 2.815 20 0 GFADLP Clc1ccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000886707990 663116100 /nfs/dbraw/zinc/11/61/00/663116100.db2.gz ZJAQXOITGHWXDR-UHFFFAOYSA-N 2 2 386.367 2.922 20 0 GFADLP Clc1ccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1Cl ZINC000886707990 663116101 /nfs/dbraw/zinc/11/61/01/663116101.db2.gz ZJAQXOITGHWXDR-UHFFFAOYSA-N 2 2 386.367 2.922 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911108 663811212 /nfs/dbraw/zinc/81/12/12/663811212.db2.gz WZWLOTLHARWJDX-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3cc(Br)ccc3C2)cnn1C ZINC000903911108 663811215 /nfs/dbraw/zinc/81/12/15/663811215.db2.gz WZWLOTLHARWJDX-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930222 663812236 /nfs/dbraw/zinc/81/22/36/663812236.db2.gz VECGDKYCCYZCEV-KSSFIOAISA-N 2 2 392.345 2.841 20 0 GFADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)cnn1C ZINC000903930222 663812239 /nfs/dbraw/zinc/81/22/39/663812239.db2.gz VECGDKYCCYZCEV-KSSFIOAISA-N 2 2 392.345 2.841 20 0 GFADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc3c(Br)ccnc23)CC1 ZINC000926136845 664682614 /nfs/dbraw/zinc/68/26/14/664682614.db2.gz OFQWCEAJZNMJMY-UHFFFAOYSA-N 2 2 392.301 2.542 20 0 GFADLP O[C@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931285260 664790442 /nfs/dbraw/zinc/79/04/42/664790442.db2.gz KVBNQKHFHARQEA-GOSISDBHSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931285260 664790446 /nfs/dbraw/zinc/79/04/46/664790446.db2.gz KVBNQKHFHARQEA-GOSISDBHSA-N 2 2 383.330 2.669 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735740 720428146 /nfs/dbraw/zinc/42/81/46/720428146.db2.gz YJKUWJKVNREMKE-UXHICEINSA-N 2 2 391.475 2.988 20 0 GFADLP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)[nH+]cc21 ZINC001164735740 720428152 /nfs/dbraw/zinc/42/81/52/720428152.db2.gz YJKUWJKVNREMKE-UXHICEINSA-N 2 2 391.475 2.988 20 0 GFADLP c1ccc(N2CCOC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)C2)[nH+]c1 ZINC001164874291 721219604 /nfs/dbraw/zinc/21/96/04/721219604.db2.gz UCENOKZPRDEKSS-UHFFFAOYSA-N 2 2 393.535 2.948 20 0 GFADLP Cc1ccc2cc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164794173 721513101 /nfs/dbraw/zinc/51/31/01/721513101.db2.gz IVTLVCLHZUTRGT-UHFFFAOYSA-N 2 2 376.508 2.507 20 0 GFADLP CCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)[nH+]1 ZINC001164961585 722057851 /nfs/dbraw/zinc/05/78/51/722057851.db2.gz MBYHFUQSJCULNV-UHFFFAOYSA-N 2 2 381.524 2.861 20 0 GFADLP CCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C)[nH+]1 ZINC001164961585 722057852 /nfs/dbraw/zinc/05/78/52/722057852.db2.gz MBYHFUQSJCULNV-UHFFFAOYSA-N 2 2 381.524 2.861 20 0 GFADLP COc1cccc([C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927279 212124711 /nfs/dbraw/zinc/12/47/11/212124711.db2.gz KSGHQUYUFRVNBU-PXNSSMCTSA-N 2 2 399.539 2.938 20 0 GFADLP COc1cccc([C@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c2[nH+]ccn2C)c1 ZINC000359927279 212124714 /nfs/dbraw/zinc/12/47/14/212124714.db2.gz KSGHQUYUFRVNBU-PXNSSMCTSA-N 2 2 399.539 2.938 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@@H+]1C ZINC000123368586 551306090 /nfs/dbraw/zinc/30/60/90/551306090.db2.gz FXLIVXJXGYXPJA-TZMCWYRMSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[N@H+]1C ZINC000123368586 551306093 /nfs/dbraw/zinc/30/60/93/551306093.db2.gz FXLIVXJXGYXPJA-TZMCWYRMSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123368586 551306096 /nfs/dbraw/zinc/30/60/96/551306096.db2.gz FXLIVXJXGYXPJA-TZMCWYRMSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2cc(Br)cs2)CC[NH+]1C ZINC000123368586 551306099 /nfs/dbraw/zinc/30/60/99/551306099.db2.gz FXLIVXJXGYXPJA-TZMCWYRMSA-N 2 2 388.375 2.884 20 0 GFADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729668 551331967 /nfs/dbraw/zinc/33/19/67/551331967.db2.gz YIDRAKSEQBADMN-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000126729668 551331968 /nfs/dbraw/zinc/33/19/68/551331968.db2.gz YIDRAKSEQBADMN-STQMWFEESA-N 2 2 386.309 2.826 20 0 GFADLP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)ccc1S(=O)(=O)C(F)F ZINC000132146122 551377677 /nfs/dbraw/zinc/37/76/77/551377677.db2.gz SHXIITNURFHDGA-GFCCVEGCSA-N 2 2 378.485 2.930 20 0 GFADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151902834 551423147 /nfs/dbraw/zinc/42/31/47/551423147.db2.gz DOFIGAAKBBZTOY-INIZCTEOSA-N 2 2 379.595 2.920 20 0 GFADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1Br ZINC000154299373 551471649 /nfs/dbraw/zinc/47/16/49/551471649.db2.gz NQNYNUJFPJFPKV-KOLCDFICSA-N 2 2 380.124 2.785 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000157607044 551539872 /nfs/dbraw/zinc/53/98/72/551539872.db2.gz JFGCOFHFSKCHSN-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000157607044 551539874 /nfs/dbraw/zinc/53/98/74/551539874.db2.gz JFGCOFHFSKCHSN-UHFFFAOYSA-N 2 2 383.334 2.939 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2coc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172752243 551686301 /nfs/dbraw/zinc/68/63/01/551686301.db2.gz XIKCVSJZCOUCFV-UHFFFAOYSA-N 2 2 384.318 2.722 20 0 GFADLP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342531 552102854 /nfs/dbraw/zinc/10/28/54/552102854.db2.gz FLRHPANWOPFYRY-IAGOWNOFSA-N 2 2 381.611 2.998 20 0 GFADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000174342531 552102857 /nfs/dbraw/zinc/10/28/57/552102857.db2.gz FLRHPANWOPFYRY-IAGOWNOFSA-N 2 2 381.611 2.998 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000177151272 552150592 /nfs/dbraw/zinc/15/05/92/552150592.db2.gz MJYQADTXYUPMDR-QZTJIDSGSA-N 2 2 394.357 2.695 20 0 GFADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ncc(Br)s1 ZINC000179205824 552186784 /nfs/dbraw/zinc/18/67/84/552186784.db2.gz CIELWIDOIQDZAR-LBPRGKRZSA-N 2 2 396.358 2.903 20 0 GFADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1nc(C)cs1 ZINC000184340176 552332601 /nfs/dbraw/zinc/33/26/01/552332601.db2.gz JLSNWHXZPAZMFM-MRXNPFEDSA-N 2 2 378.567 2.898 20 0 GFADLP C[C@@H](CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000237495422 553078306 /nfs/dbraw/zinc/07/83/06/553078306.db2.gz ROVIBSYZJHHDQJ-QWHCGFSZSA-N 2 2 379.302 2.739 20 0 GFADLP Cc1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)ccc1Br ZINC000261673114 553155805 /nfs/dbraw/zinc/15/58/05/553155805.db2.gz GYRHKONDKFOSOP-UHFFFAOYSA-N 2 2 390.329 2.832 20 0 GFADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770587 553158447 /nfs/dbraw/zinc/15/84/47/553158447.db2.gz WXBLPVOOUZMRED-GUYCJALGSA-N 2 2 398.320 2.668 20 0 GFADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261770587 553158448 /nfs/dbraw/zinc/15/84/48/553158448.db2.gz WXBLPVOOUZMRED-GUYCJALGSA-N 2 2 398.320 2.668 20 0 GFADLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822796 553160581 /nfs/dbraw/zinc/16/05/81/553160581.db2.gz WUSXJUYHCQPZIF-AJSFGMTHSA-N 2 2 380.330 2.841 20 0 GFADLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000261822796 553160584 /nfs/dbraw/zinc/16/05/84/553160584.db2.gz WUSXJUYHCQPZIF-AJSFGMTHSA-N 2 2 380.330 2.841 20 0 GFADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418392886 563216551 /nfs/dbraw/zinc/21/65/51/563216551.db2.gz QERJTRPESAYVLH-AWEZNQCLSA-N 2 2 387.355 2.719 20 0 GFADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000418462012 563217801 /nfs/dbraw/zinc/21/78/01/563217801.db2.gz LDTUOELWMGLYJC-KRWDZBQOSA-N 2 2 385.339 2.600 20 0 GFADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000295391842 563245552 /nfs/dbraw/zinc/24/55/52/563245552.db2.gz LJPKTVLFOHJDRV-AWEZNQCLSA-N 2 2 398.345 2.538 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ncc(Br)cn1 ZINC000420976689 563292365 /nfs/dbraw/zinc/29/23/65/563292365.db2.gz RGKSEXIQDQHMOJ-AWEZNQCLSA-N 2 2 391.313 2.922 20 0 GFADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933086 563350630 /nfs/dbraw/zinc/35/06/30/563350630.db2.gz BGBZVGWYDLWTGY-BFYDXBDKSA-N 2 2 382.346 2.632 20 0 GFADLP COC(=O)CC[N@H+](CCc1c[nH+]cn1C)Cc1cccc(Br)c1 ZINC000298415877 563354898 /nfs/dbraw/zinc/35/48/98/563354898.db2.gz MJGRLSBSAFHQDD-UHFFFAOYSA-N 2 2 380.286 2.790 20 0 GFADLP COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000423092581 563354980 /nfs/dbraw/zinc/35/49/80/563354980.db2.gz CKVPAGCQYYOHQM-RYUDHWBXSA-N 2 2 380.657 2.923 20 0 GFADLP CCn1ccnc1[C@H]([NH2+]CCC[NH3+])c1ccc(I)cc1 ZINC000423177638 563358598 /nfs/dbraw/zinc/35/85/98/563358598.db2.gz AZNMDABTSBMREO-CQSZACIVSA-N 2 2 384.265 2.535 20 0 GFADLP [NH3+]C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)C1CCCC1 ZINC000423512522 563361870 /nfs/dbraw/zinc/36/18/70/563361870.db2.gz UVGOUDKTXFFLKU-GJZGRUSLSA-N 2 2 387.343 2.775 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccccc1Br ZINC000299138583 563375986 /nfs/dbraw/zinc/37/59/86/563375986.db2.gz XSWFNLJWRKKRNN-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccccc1Br ZINC000299138583 563375991 /nfs/dbraw/zinc/37/59/91/563375991.db2.gz XSWFNLJWRKKRNN-UHFFFAOYSA-N 2 2 396.373 2.866 20 0 GFADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccsc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000375005071 563388282 /nfs/dbraw/zinc/38/82/82/563388282.db2.gz MPNXOGDCHNLHDY-AWEZNQCLSA-N 2 2 379.551 2.711 20 0 GFADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccccc1Br ZINC000375519566 563408420 /nfs/dbraw/zinc/40/84/20/563408420.db2.gz PEUCDTJIAVPGOW-JDSLSITLSA-N 2 2 377.286 2.853 20 0 GFADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1Br ZINC000375742025 563416982 /nfs/dbraw/zinc/41/69/82/563416982.db2.gz KGYLVQHCJCLZAE-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1Br ZINC000375742025 563416986 /nfs/dbraw/zinc/41/69/86/563416986.db2.gz KGYLVQHCJCLZAE-ALOPSCKCSA-N 2 2 394.357 2.931 20 0 GFADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000283900004 563458406 /nfs/dbraw/zinc/45/84/06/563458406.db2.gz JXBUAESXAHBBTP-INIZCTEOSA-N 2 2 378.929 2.893 20 0 GFADLP Cc1c(Br)cccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378375219 563504671 /nfs/dbraw/zinc/50/46/71/563504671.db2.gz ZVBPYGHKEQRYQR-AWEZNQCLSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1c(Br)cccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378375219 563504672 /nfs/dbraw/zinc/50/46/72/563504672.db2.gz ZVBPYGHKEQRYQR-AWEZNQCLSA-N 2 2 394.357 2.998 20 0 GFADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000430905602 563550268 /nfs/dbraw/zinc/55/02/68/563550268.db2.gz FYFMBYXRKUNCKY-RHSMWYFYSA-N 2 2 382.346 2.900 20 0 GFADLP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000411175576 563608485 /nfs/dbraw/zinc/60/84/85/563608485.db2.gz DHSNOTHWGHWDOU-KRWDZBQOSA-N 2 2 379.595 2.610 20 0 GFADLP CN(C)c1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]cc1Br ZINC000333096758 563620227 /nfs/dbraw/zinc/62/02/27/563620227.db2.gz AHNNESNMWDEWBP-CQSZACIVSA-N 2 2 396.333 2.906 20 0 GFADLP O=C(C[N@@H+]1CCSC2(CCC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411869404 563638882 /nfs/dbraw/zinc/63/88/82/563638882.db2.gz MWLUEWWGTHWGEK-UHFFFAOYSA-N 2 2 379.595 2.754 20 0 GFADLP O=C(C[N@H+]1CCSC2(CCC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000411869404 563638884 /nfs/dbraw/zinc/63/88/84/563638884.db2.gz MWLUEWWGTHWGEK-UHFFFAOYSA-N 2 2 379.595 2.754 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CC[N@H+](C)C1 ZINC000413502039 563695516 /nfs/dbraw/zinc/69/55/16/563695516.db2.gz PTIZMIVAOAZDFE-LLVKDONJSA-N 2 2 396.260 2.677 20 0 GFADLP COC(=O)[C@H]1CN(c2cc[nH+]c3cc(F)c(Br)cc32)CC[N@@H+](C)C1 ZINC000413502039 563695520 /nfs/dbraw/zinc/69/55/20/563695520.db2.gz PTIZMIVAOAZDFE-LLVKDONJSA-N 2 2 396.260 2.677 20 0 GFADLP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507301 563696067 /nfs/dbraw/zinc/69/60/67/563696067.db2.gz LULHOFUACDCAES-QZTJIDSGSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000437507301 563696071 /nfs/dbraw/zinc/69/60/71/563696071.db2.gz LULHOFUACDCAES-QZTJIDSGSA-N 2 2 379.595 2.752 20 0 GFADLP Cc1c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)nnn1-c1cccc(Br)c1 ZINC000414129418 563720149 /nfs/dbraw/zinc/72/01/49/563720149.db2.gz UYGDYXSDNZQVIC-GFCCVEGCSA-N 2 2 389.301 2.965 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000439428433 563723820 /nfs/dbraw/zinc/72/38/20/563723820.db2.gz FZILYYFBLNNZEX-OAHLLOKOSA-N 2 2 398.276 2.931 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)n1C ZINC000414299490 563725369 /nfs/dbraw/zinc/72/53/69/563725369.db2.gz HXPFVEWCNIILQV-AWEZNQCLSA-N 2 2 392.345 2.865 20 0 GFADLP O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616625 563729646 /nfs/dbraw/zinc/72/96/46/563729646.db2.gz SKPWFSFXLKAZQN-ZWKOTPCHSA-N 2 2 379.595 2.752 20 0 GFADLP O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000439616625 563729647 /nfs/dbraw/zinc/72/96/47/563729647.db2.gz SKPWFSFXLKAZQN-ZWKOTPCHSA-N 2 2 379.595 2.752 20 0 GFADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414396883 563733800 /nfs/dbraw/zinc/73/38/00/563733800.db2.gz SRHHAPOADFILGE-UHFFFAOYSA-N 2 2 394.317 2.675 20 0 GFADLP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118792 563759786 /nfs/dbraw/zinc/75/97/86/563759786.db2.gz DZRXDXOTXVWFKE-ZBFHGGJFSA-N 2 2 382.346 2.702 20 0 GFADLP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000415118792 563759787 /nfs/dbraw/zinc/75/97/87/563759787.db2.gz DZRXDXOTXVWFKE-ZBFHGGJFSA-N 2 2 382.346 2.702 20 0 GFADLP [NH3+]CC(F)(F)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000417002597 563865346 /nfs/dbraw/zinc/86/53/46/563865346.db2.gz VHDZHMHSWSRUSC-CYBMUJFWSA-N 2 2 378.826 2.509 20 0 GFADLP O=C1[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1c1cccc(Br)c1 ZINC000447071478 563874422 /nfs/dbraw/zinc/87/44/22/563874422.db2.gz ZBEDMVIFVFQCHK-MRXNPFEDSA-N 2 2 385.265 2.992 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274116 563891395 /nfs/dbraw/zinc/89/13/95/563891395.db2.gz MPNCLEUJOCEIRG-AWEZNQCLSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274116 563891397 /nfs/dbraw/zinc/89/13/97/563891397.db2.gz MPNCLEUJOCEIRG-AWEZNQCLSA-N 2 2 386.323 2.657 20 0 GFADLP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000417982109 563893493 /nfs/dbraw/zinc/89/34/93/563893493.db2.gz ARHCOJZKZDEVRX-ZDUSSCGKSA-N 2 2 385.339 2.961 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)[nH+]c12 ZINC000418015885 563895444 /nfs/dbraw/zinc/89/54/44/563895444.db2.gz FGKVRRYVIWMWMN-DGCLKSJQSA-N 2 2 394.317 2.532 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000471685477 564202521 /nfs/dbraw/zinc/20/25/21/564202521.db2.gz AWXZQPHBQJYDJA-UHFFFAOYSA-N 2 2 391.313 2.598 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800756 564207655 /nfs/dbraw/zinc/20/76/55/564207655.db2.gz IBUMZBZTXGVRPL-WWTUQBGBSA-N 2 2 395.345 2.578 20 0 GFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cn1 ZINC000563800756 564207659 /nfs/dbraw/zinc/20/76/59/564207659.db2.gz IBUMZBZTXGVRPL-WWTUQBGBSA-N 2 2 395.345 2.578 20 0 GFADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848245 564252845 /nfs/dbraw/zinc/25/28/45/564252845.db2.gz KXLYGTGPPNEZHK-ZDUSSCGKSA-N 2 2 379.245 2.595 20 0 GFADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000564848245 564252850 /nfs/dbraw/zinc/25/28/50/564252850.db2.gz KXLYGTGPPNEZHK-ZDUSSCGKSA-N 2 2 379.245 2.595 20 0 GFADLP NC(=O)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000475429586 564307891 /nfs/dbraw/zinc/30/78/91/564307891.db2.gz NOSCMRMMGLMRKJ-QGZVFWFLSA-N 2 2 385.265 2.951 20 0 GFADLP NC(=O)[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000475432159 564308829 /nfs/dbraw/zinc/30/88/29/564308829.db2.gz XRYWMELLNFQBRP-QGZVFWFLSA-N 2 2 389.297 2.629 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566230182 564318479 /nfs/dbraw/zinc/31/84/79/564318479.db2.gz PHNFYAWGJLZRQS-ZBFHGGJFSA-N 2 2 383.330 2.906 20 0 GFADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566230182 564318484 /nfs/dbraw/zinc/31/84/84/564318484.db2.gz PHNFYAWGJLZRQS-ZBFHGGJFSA-N 2 2 383.330 2.906 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451567102 564326933 /nfs/dbraw/zinc/32/69/33/564326933.db2.gz KOZSKJSBSVLLGG-INIZCTEOSA-N 2 2 394.357 2.839 20 0 GFADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451567102 564326935 /nfs/dbraw/zinc/32/69/35/564326935.db2.gz KOZSKJSBSVLLGG-INIZCTEOSA-N 2 2 394.357 2.839 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822694 564327466 /nfs/dbraw/zinc/32/74/66/564327466.db2.gz GSHNJCPOHBJYIY-SNVBAGLBSA-N 2 2 378.230 2.815 20 0 GFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000542822694 564327470 /nfs/dbraw/zinc/32/74/70/564327470.db2.gz GSHNJCPOHBJYIY-SNVBAGLBSA-N 2 2 378.230 2.815 20 0 GFADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000567652990 564381382 /nfs/dbraw/zinc/38/13/82/564381382.db2.gz BDGFZLPHZFZFEH-DZGCQCFKSA-N 2 2 378.318 2.992 20 0 GFADLP O=C(NCC[N@H+]1CC=CCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477641920 564383215 /nfs/dbraw/zinc/38/32/15/564383215.db2.gz YGNPKNLUUDWPHC-SFHVURJKSA-N 2 2 392.341 2.964 20 0 GFADLP O=C(NCC[N@@H+]1CC=CCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000477641920 564383219 /nfs/dbraw/zinc/38/32/19/564383219.db2.gz YGNPKNLUUDWPHC-SFHVURJKSA-N 2 2 392.341 2.964 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000511996081 564388822 /nfs/dbraw/zinc/38/88/22/564388822.db2.gz FPLHHHBULCHKEQ-ZWKOTPCHSA-N 2 2 383.330 2.925 20 0 GFADLP CS(=O)(=O)c1cccc(Cl)c1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000513069489 564418653 /nfs/dbraw/zinc/41/86/53/564418653.db2.gz OKVHTGUBOXFWBW-UHFFFAOYSA-N 2 2 376.869 2.995 20 0 GFADLP COc1c(Br)cccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000568565166 564423968 /nfs/dbraw/zinc/42/39/68/564423968.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1c(Br)cccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000568565166 564423973 /nfs/dbraw/zinc/42/39/73/564423973.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1c(Br)cccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000568565166 564423976 /nfs/dbraw/zinc/42/39/76/564423976.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP COc1c(Br)cccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000568565166 564423979 /nfs/dbraw/zinc/42/39/79/564423979.db2.gz QKUIARABLJHPAT-UHFFFAOYSA-N 2 2 384.362 2.916 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479060710 564424405 /nfs/dbraw/zinc/42/44/05/564424405.db2.gz NFVQRENMAFSYTO-SFHVURJKSA-N 2 2 394.357 2.969 20 0 GFADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615358 564427117 /nfs/dbraw/zinc/42/71/17/564427117.db2.gz LHMVQMKPXLZECR-WMLDXEAASA-N 2 2 390.329 2.946 20 0 GFADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615358 564427123 /nfs/dbraw/zinc/42/71/23/564427123.db2.gz LHMVQMKPXLZECR-WMLDXEAASA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615358 564427126 /nfs/dbraw/zinc/42/71/26/564427126.db2.gz LHMVQMKPXLZECR-WMLDXEAASA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000568615358 564427132 /nfs/dbraw/zinc/42/71/32/564427132.db2.gz LHMVQMKPXLZECR-WMLDXEAASA-N 2 2 390.329 2.946 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189413 564446805 /nfs/dbraw/zinc/44/68/05/564446805.db2.gz HPKYSWSKSPUEKO-QGZVFWFLSA-N 2 2 398.320 2.889 20 0 GFADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000514189413 564446806 /nfs/dbraw/zinc/44/68/06/564446806.db2.gz HPKYSWSKSPUEKO-QGZVFWFLSA-N 2 2 398.320 2.889 20 0 GFADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000453582445 564459410 /nfs/dbraw/zinc/45/94/10/564459410.db2.gz FGNGDOGKKZLDBP-UHFFFAOYSA-N 2 2 388.375 2.851 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547654659 564506106 /nfs/dbraw/zinc/50/61/06/564506106.db2.gz WKBGGIXFKUACAB-IUODEOHRSA-N 2 2 377.286 2.967 20 0 GFADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000571210962 564540872 /nfs/dbraw/zinc/54/08/72/564540872.db2.gz SALMEUQDQYHXAT-AWEZNQCLSA-N 2 2 378.318 2.851 20 0 GFADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961862 564574513 /nfs/dbraw/zinc/57/45/13/564574513.db2.gz PYFHEZDLITWDAO-MRXNPFEDSA-N 2 2 383.330 2.747 20 0 GFADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1)C1CC1 ZINC000571961862 564574516 /nfs/dbraw/zinc/57/45/16/564574516.db2.gz PYFHEZDLITWDAO-MRXNPFEDSA-N 2 2 383.330 2.747 20 0 GFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000575742471 564703242 /nfs/dbraw/zinc/70/32/42/564703242.db2.gz GZWPFXBNGLOTEV-MRXNPFEDSA-N 2 2 383.261 2.864 20 0 GFADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]1 ZINC000581071032 564787161 /nfs/dbraw/zinc/78/71/61/564787161.db2.gz JICKCEBGSUZKOJ-COXVUDFISA-N 2 2 380.330 2.843 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369038 564791070 /nfs/dbraw/zinc/79/10/70/564791070.db2.gz XNKZCWFBPMDKEY-WDEREUQCSA-N 2 2 380.341 2.633 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000555369038 564791074 /nfs/dbraw/zinc/79/10/74/564791074.db2.gz XNKZCWFBPMDKEY-WDEREUQCSA-N 2 2 380.341 2.633 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495015113 564845806 /nfs/dbraw/zinc/84/58/06/564845806.db2.gz DZHFNVZUBOFSLP-UKRRQHHQSA-N 2 2 380.286 2.792 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495015113 564845810 /nfs/dbraw/zinc/84/58/10/564845810.db2.gz DZHFNVZUBOFSLP-UKRRQHHQSA-N 2 2 380.286 2.792 20 0 GFADLP O=C(CCc1c[nH+]c[nH]1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000557416567 564862771 /nfs/dbraw/zinc/86/27/71/564862771.db2.gz SBPLVZSQPPCEOF-UHFFFAOYSA-N 2 2 392.257 2.623 20 0 GFADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790984 565043194 /nfs/dbraw/zinc/04/31/94/565043194.db2.gz CCRGCMBNXJHVIL-SJORKVTESA-N 2 2 395.345 2.575 20 0 GFADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000562790984 565043196 /nfs/dbraw/zinc/04/31/96/565043196.db2.gz CCRGCMBNXJHVIL-SJORKVTESA-N 2 2 395.345 2.575 20 0 GFADLP COc1ccc([C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000685645739 565117795 /nfs/dbraw/zinc/11/77/95/565117795.db2.gz HLDDBRWFSAEVAO-SFHVURJKSA-N 2 2 398.345 2.518 20 0 GFADLP Cc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Br ZINC000636988572 565133757 /nfs/dbraw/zinc/13/37/57/565133757.db2.gz WSIKROYJXODDLW-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488638 565247974 /nfs/dbraw/zinc/24/79/74/565247974.db2.gz AEMCOTMXQCOJSB-QGZVFWFLSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000639488638 565247977 /nfs/dbraw/zinc/24/79/77/565247977.db2.gz AEMCOTMXQCOJSB-QGZVFWFLSA-N 2 2 391.339 2.512 20 0 GFADLP COc1ncc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660115990 565254911 /nfs/dbraw/zinc/25/49/11/565254911.db2.gz FXFUITCQZWINQA-BZUAXINKSA-N 2 2 384.318 2.536 20 0 GFADLP COc1ncc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660115990 565254913 /nfs/dbraw/zinc/25/49/13/565254913.db2.gz FXFUITCQZWINQA-BZUAXINKSA-N 2 2 384.318 2.536 20 0 GFADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288354 /nfs/dbraw/zinc/28/83/54/565288354.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288356 /nfs/dbraw/zinc/28/83/56/565288356.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288358 /nfs/dbraw/zinc/28/83/58/565288358.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288360 /nfs/dbraw/zinc/28/83/60/565288360.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 2 392.341 2.972 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741062 565357484 /nfs/dbraw/zinc/35/74/84/565357484.db2.gz NFAHKIVGMBMASG-VNHYZAJKSA-N 2 2 381.567 2.740 20 0 GFADLP Cc1nc(-c2ccc(C[NH2+]C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)s2)cs1 ZINC000619741062 565357487 /nfs/dbraw/zinc/35/74/87/565357487.db2.gz NFAHKIVGMBMASG-VNHYZAJKSA-N 2 2 381.567 2.740 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262231 565358365 /nfs/dbraw/zinc/35/83/65/565358365.db2.gz UJCYJJHVMZHGLN-MSOLQXFVSA-N 2 2 382.346 2.506 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)c1ccsc1 ZINC000662379109 565364516 /nfs/dbraw/zinc/36/45/16/565364516.db2.gz PTKSFJCTCABKSI-LSDHHAIUSA-N 2 2 382.327 2.930 20 0 GFADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000620758065 565396003 /nfs/dbraw/zinc/39/60/03/565396003.db2.gz KMHYAWLMMKGQNO-UHFFFAOYSA-N 2 2 392.297 2.573 20 0 GFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363953 565414779 /nfs/dbraw/zinc/41/47/79/565414779.db2.gz DJEGEPXYZWLXGN-KGLIPLIRSA-N 2 2 391.737 2.916 20 0 GFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000663363953 565414782 /nfs/dbraw/zinc/41/47/82/565414782.db2.gz DJEGEPXYZWLXGN-KGLIPLIRSA-N 2 2 391.737 2.916 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567914 565483128 /nfs/dbraw/zinc/48/31/28/565483128.db2.gz OFVFVGWBQRTISM-DAYGRLMNSA-N 2 2 397.357 2.540 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(c3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000644567914 565483130 /nfs/dbraw/zinc/48/31/30/565483130.db2.gz OFVFVGWBQRTISM-DAYGRLMNSA-N 2 2 397.357 2.540 20 0 GFADLP Cc1oc(Br)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644635732 565486298 /nfs/dbraw/zinc/48/62/98/565486298.db2.gz YOQNBPNINMNKOR-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1oc(Br)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644635732 565486303 /nfs/dbraw/zinc/48/63/03/565486303.db2.gz YOQNBPNINMNKOR-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCSc3ccc(Br)cc32)n1 ZINC000665290545 565496484 /nfs/dbraw/zinc/49/64/84/565496484.db2.gz CIPWBBKAYQLBQP-LBPRGKRZSA-N 2 2 381.299 2.730 20 0 GFADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656970 565523016 /nfs/dbraw/zinc/52/30/16/565523016.db2.gz GZQVPAUJDHJPME-AWEZNQCLSA-N 2 2 378.318 2.851 20 0 GFADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656970 565523022 /nfs/dbraw/zinc/52/30/22/565523022.db2.gz GZQVPAUJDHJPME-AWEZNQCLSA-N 2 2 378.318 2.851 20 0 GFADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607038 /nfs/dbraw/zinc/60/70/38/565607038.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 2 380.330 2.976 20 0 GFADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607043 /nfs/dbraw/zinc/60/70/43/565607043.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607044 /nfs/dbraw/zinc/60/70/44/565607044.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 2 380.330 2.976 20 0 GFADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607049 /nfs/dbraw/zinc/60/70/49/565607049.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 2 380.330 2.976 20 0 GFADLP Cc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000625520826 565635345 /nfs/dbraw/zinc/63/53/45/565635345.db2.gz YFZAGEXBEPQRKZ-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1cccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000625520826 565635349 /nfs/dbraw/zinc/63/53/49/565635349.db2.gz YFZAGEXBEPQRKZ-MRXNPFEDSA-N 2 2 394.357 2.585 20 0 GFADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672009 /nfs/dbraw/zinc/67/20/09/565672009.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672012 /nfs/dbraw/zinc/67/20/12/565672012.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672014 /nfs/dbraw/zinc/67/20/14/565672014.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 2 385.346 2.566 20 0 GFADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672016 /nfs/dbraw/zinc/67/20/16/565672016.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 2 385.346 2.566 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300529 565761095 /nfs/dbraw/zinc/76/10/95/565761095.db2.gz OPBLMMNSPNSWAB-GJZGRUSLSA-N 2 2 376.444 2.825 20 0 GFADLP CS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000671300529 565761096 /nfs/dbraw/zinc/76/10/96/565761096.db2.gz OPBLMMNSPNSWAB-GJZGRUSLSA-N 2 2 376.444 2.825 20 0 GFADLP Cc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279173 565782277 /nfs/dbraw/zinc/78/22/77/565782277.db2.gz YEFKCINRTRMGQS-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP Cc1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279173 565782282 /nfs/dbraw/zinc/78/22/82/565782282.db2.gz YEFKCINRTRMGQS-QGZVFWFLSA-N 2 2 381.362 2.753 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538275 565857795 /nfs/dbraw/zinc/85/77/95/565857795.db2.gz TUOHAYRVJAHYCI-FUHWJXTLSA-N 2 2 378.314 2.778 20 0 GFADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000629538275 565857798 /nfs/dbraw/zinc/85/77/98/565857798.db2.gz TUOHAYRVJAHYCI-FUHWJXTLSA-N 2 2 378.314 2.778 20 0 GFADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603898 565863945 /nfs/dbraw/zinc/86/39/45/565863945.db2.gz QLGOZCABRBVYHS-IRXDYDNUSA-N 2 2 383.330 2.795 20 0 GFADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COc1cccc(Br)c1 ZINC000629603898 565863948 /nfs/dbraw/zinc/86/39/48/565863948.db2.gz QLGOZCABRBVYHS-IRXDYDNUSA-N 2 2 383.330 2.795 20 0 GFADLP CCO[C@@H]1C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000652356356 565924330 /nfs/dbraw/zinc/92/43/30/565924330.db2.gz DFMJUWAVOBUWIE-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP CCO[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000652356356 565924334 /nfs/dbraw/zinc/92/43/34/565924334.db2.gz DFMJUWAVOBUWIE-CZUORRHYSA-N 2 2 380.286 2.900 20 0 GFADLP COc1ccc(Br)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000678258927 566004049 /nfs/dbraw/zinc/00/40/49/566004049.db2.gz RZWSYVTUGNLUFR-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP COc1ccc(Br)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000678258927 566004052 /nfs/dbraw/zinc/00/40/52/566004052.db2.gz RZWSYVTUGNLUFR-INIZCTEOSA-N 2 2 382.346 2.670 20 0 GFADLP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678767752 566019485 /nfs/dbraw/zinc/01/94/85/566019485.db2.gz QMYMKVIEHKHQBH-YVEFUNNKSA-N 2 2 398.370 2.596 20 0 GFADLP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)CC1 ZINC000736855236 599284690 /nfs/dbraw/zinc/28/46/90/599284690.db2.gz JQMRMXUKQDEGDD-UHFFFAOYSA-N 2 2 378.480 2.630 20 0 GFADLP Cc1nc(C[NH+]2CCC(CNc3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2)oc1C ZINC000737240167 598682015 /nfs/dbraw/zinc/68/20/15/598682015.db2.gz ILVHGLAFIZHDSL-UHFFFAOYSA-N 2 2 396.499 2.807 20 0 GFADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194593 607502120 /nfs/dbraw/zinc/50/21/20/607502120.db2.gz QHDSPVSJEKAYIS-WMZOPIPTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194593 607502122 /nfs/dbraw/zinc/50/21/22/607502122.db2.gz QHDSPVSJEKAYIS-WMZOPIPTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194593 607502124 /nfs/dbraw/zinc/50/21/24/607502124.db2.gz QHDSPVSJEKAYIS-WMZOPIPTSA-N 2 2 384.528 2.962 20 0 GFADLP COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1-c1nn[nH]n1 ZINC000826194593 607502125 /nfs/dbraw/zinc/50/21/25/607502125.db2.gz QHDSPVSJEKAYIS-WMZOPIPTSA-N 2 2 384.528 2.962 20 0 GFADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826146698 608511345 /nfs/dbraw/zinc/51/13/45/608511345.db2.gz AHRSYFGMNMTVQR-LJQANCHMSA-N 2 2 384.528 2.723 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@H](C)C1 ZINC000825594982 609144821 /nfs/dbraw/zinc/14/48/21/609144821.db2.gz SOMJEAZPDKQUOY-VCBZYWHSSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@H](C)C1 ZINC000825594982 609144822 /nfs/dbraw/zinc/14/48/22/609144822.db2.gz SOMJEAZPDKQUOY-VCBZYWHSSA-N 2 2 390.507 2.793 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccs2)n1 ZINC000122942576 654747641 /nfs/dbraw/zinc/74/76/41/654747641.db2.gz HBQMYSNSONLIIF-UHFFFAOYSA-N 2 2 378.567 2.970 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccs2)n1 ZINC000122942576 654747643 /nfs/dbraw/zinc/74/76/43/654747643.db2.gz HBQMYSNSONLIIF-UHFFFAOYSA-N 2 2 378.567 2.970 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954053 654992645 /nfs/dbraw/zinc/99/26/45/654992645.db2.gz VTOBGBJHEJHPJA-LSDHHAIUSA-N 2 2 398.370 2.915 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000268954053 654992646 /nfs/dbraw/zinc/99/26/46/654992646.db2.gz VTOBGBJHEJHPJA-LSDHHAIUSA-N 2 2 398.370 2.915 20 0 GFADLP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000106382739 655107497 /nfs/dbraw/zinc/10/74/97/655107497.db2.gz LIXHASHDADTPDQ-AWEZNQCLSA-N 2 2 391.737 2.868 20 0 GFADLP C[NH+]1CCC(CNC(=O)c2ccc(Br)nc2)([NH+]2CCCCC2)CC1 ZINC000173479673 655173416 /nfs/dbraw/zinc/17/34/16/655173416.db2.gz ZVOQMFNQXNOYHG-UHFFFAOYSA-N 2 2 395.345 2.524 20 0 GFADLP Cc1cc(Br)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000179598854 655315067 /nfs/dbraw/zinc/31/50/67/655315067.db2.gz HFBFHSPOSLLQBF-UHFFFAOYSA-N 2 2 382.346 2.677 20 0 GFADLP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185367098 655363985 /nfs/dbraw/zinc/36/39/85/655363985.db2.gz MACQVEVMSKXXLT-ZDUSSCGKSA-N 2 2 388.325 2.972 20 0 GFADLP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000185367098 655363988 /nfs/dbraw/zinc/36/39/88/655363988.db2.gz MACQVEVMSKXXLT-ZDUSSCGKSA-N 2 2 388.325 2.972 20 0 GFADLP C[NH+](C)CCOC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000738207915 655687190 /nfs/dbraw/zinc/68/71/90/655687190.db2.gz HKGFNCVPKXEWSR-UHFFFAOYSA-N 2 2 381.318 2.799 20 0 GFADLP Cc1cc(Br)cn2cc(CCNC(=O)C3([NH+](C)C)CCC3)[nH+]c12 ZINC000756320619 655898301 /nfs/dbraw/zinc/89/83/01/655898301.db2.gz UGZSIHPBBKFIOC-UHFFFAOYSA-N 2 2 379.302 2.548 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166803 656163519 /nfs/dbraw/zinc/16/35/19/656163519.db2.gz UETOMYAMDVRFEK-OBJOEFQTSA-N 2 2 376.469 2.825 20 0 GFADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1S(=O)(=O)C(F)F ZINC000766166803 656163521 /nfs/dbraw/zinc/16/35/21/656163521.db2.gz UETOMYAMDVRFEK-OBJOEFQTSA-N 2 2 376.469 2.825 20 0 GFADLP C[NH+](C)CC1CC[NH+](Cn2c(=O)oc3cc(Br)c(F)cc32)CC1 ZINC000773305580 656409650 /nfs/dbraw/zinc/40/96/50/656409650.db2.gz CIPUMRJKESGRFP-UHFFFAOYSA-N 2 2 386.265 2.727 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845667355 661486356 /nfs/dbraw/zinc/48/63/56/661486356.db2.gz PIVKKMWFGQGOBR-CQSZACIVSA-N 2 2 379.376 2.628 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000845667355 661486362 /nfs/dbraw/zinc/48/63/62/661486362.db2.gz PIVKKMWFGQGOBR-CQSZACIVSA-N 2 2 379.376 2.628 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000855415363 661991341 /nfs/dbraw/zinc/99/13/41/661991341.db2.gz WIOMMOUNNCUNKR-UHFFFAOYSA-N 2 2 392.288 2.541 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1ccc(Br)cc1 ZINC000855415363 661991344 /nfs/dbraw/zinc/99/13/44/661991344.db2.gz WIOMMOUNNCUNKR-UHFFFAOYSA-N 2 2 392.288 2.541 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749640 662440794 /nfs/dbraw/zinc/44/07/94/662440794.db2.gz USRLCVDEXVNXNK-LLVKDONJSA-N 2 2 377.432 2.790 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749640 662440799 /nfs/dbraw/zinc/44/07/99/662440799.db2.gz USRLCVDEXVNXNK-LLVKDONJSA-N 2 2 377.432 2.790 20 0 GFADLP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000866598204 662483084 /nfs/dbraw/zinc/48/30/84/662483084.db2.gz UIAPOCQDXLFZFA-ROUUACIJSA-N 2 2 383.330 2.980 20 0 GFADLP C[C@H]1C[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324877 662893984 /nfs/dbraw/zinc/89/39/84/662893984.db2.gz PMJHKYMZDBSTFR-KYNGSXCRSA-N 2 2 386.367 2.985 20 0 GFADLP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324877 662893986 /nfs/dbraw/zinc/89/39/86/662893986.db2.gz PMJHKYMZDBSTFR-KYNGSXCRSA-N 2 2 386.367 2.985 20 0 GFADLP C[NH+]1CCC2(CC1)CC[NH+]([C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000879249992 662921701 /nfs/dbraw/zinc/92/17/01/662921701.db2.gz JBXQIFYQBDEBLZ-INIZCTEOSA-N 2 2 380.330 2.783 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)c1ccsc1 ZINC000884188282 663066716 /nfs/dbraw/zinc/06/67/16/663066716.db2.gz CSXWWYKWNIUTEO-CABCVRRESA-N 2 2 382.327 2.930 20 0 GFADLP O[C@H](C[NH2+]Cc1cc(Br)c(Br)s1)C[NH+]1CCCC1 ZINC000885940346 663101803 /nfs/dbraw/zinc/10/18/03/663101803.db2.gz HDAWQLWQTPSEPV-SECBINFHSA-N 2 2 398.164 2.819 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212474 663449147 /nfs/dbraw/zinc/44/91/47/663449147.db2.gz BLGQHLJIOWBVJB-HNNXBMFYSA-N 2 2 380.945 2.982 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894212474 663449151 /nfs/dbraw/zinc/44/91/51/663449151.db2.gz BLGQHLJIOWBVJB-HNNXBMFYSA-N 2 2 380.945 2.982 20 0 GFADLP COc1cc(Br)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955447 663813675 /nfs/dbraw/zinc/81/36/75/663813675.db2.gz RUMUYSSWYMNWEJ-NSHDSACASA-N 2 2 379.245 2.801 20 0 GFADLP C[NH+](C)CC1(O)CC[NH+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)CC1 ZINC000931483538 664796162 /nfs/dbraw/zinc/79/61/62/664796162.db2.gz DVWCFMGGBLKMBU-UHFFFAOYSA-N 2 2 385.295 2.932 20 0 GFADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548359 677395366 /nfs/dbraw/zinc/39/53/66/677395366.db2.gz MNKYQLJYNAWEML-INIZCTEOSA-N 2 2 391.339 2.512 20 0 GFADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000115548359 677395367 /nfs/dbraw/zinc/39/53/67/677395367.db2.gz MNKYQLJYNAWEML-INIZCTEOSA-N 2 2 391.339 2.512 20 0 GFADLP Cc1cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC001164830712 720344595 /nfs/dbraw/zinc/34/45/95/720344595.db2.gz WPWUVVGYFRJCGH-RTBURBONSA-N 2 2 383.540 2.574 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841645 720504352 /nfs/dbraw/zinc/50/43/52/720504352.db2.gz ZHBYBWROAFGOIF-DFQSSKMNSA-N 2 2 395.555 2.934 20 0 GFADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC1CC1 ZINC001164841645 720504354 /nfs/dbraw/zinc/50/43/54/720504354.db2.gz ZHBYBWROAFGOIF-DFQSSKMNSA-N 2 2 395.555 2.934 20 0 GFADLP COc1cc2[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)ccc2c(OC)c1 ZINC001164734449 720532327 /nfs/dbraw/zinc/53/23/27/720532327.db2.gz IOYZEMKSNZSHNO-OAHLLOKOSA-N 2 2 381.480 2.647 20 0 GFADLP CCOC(=O)c1c(C)cc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH+]c1C ZINC001164728850 720569951 /nfs/dbraw/zinc/56/99/51/720569951.db2.gz NSBNHAUMQCFRLW-UHFFFAOYSA-N 2 2 397.523 2.730 20 0 GFADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CCC(=O)N4c3ccccc3)[nH+]2)CC1 ZINC001164844520 720765717 /nfs/dbraw/zinc/76/57/17/720765717.db2.gz CFPPHSFMOPVLFJ-WOJBJXKFSA-N 2 2 391.519 2.608 20 0 GFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748935 720857483 /nfs/dbraw/zinc/85/74/83/720857483.db2.gz MYHHWRDGDICOJP-SFHLNBCPSA-N 2 2 378.524 2.930 20 0 GFADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(C5CC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748935 720857485 /nfs/dbraw/zinc/85/74/85/720857485.db2.gz MYHHWRDGDICOJP-SFHLNBCPSA-N 2 2 378.524 2.930 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762022 721175287 /nfs/dbraw/zinc/17/52/87/721175287.db2.gz BXMWDERFIUCBPH-MOPGFXCFSA-N 2 2 377.492 2.935 20 0 GFADLP COc1ccc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762022 721175294 /nfs/dbraw/zinc/17/52/94/721175294.db2.gz BXMWDERFIUCBPH-MOPGFXCFSA-N 2 2 377.492 2.935 20 0 GFADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001165009514 721712355 /nfs/dbraw/zinc/71/23/55/721712355.db2.gz UPMNEPADWKAAGA-UHFFFAOYSA-N 2 2 383.544 2.519 20 0 GFADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001165009514 721712363 /nfs/dbraw/zinc/71/23/63/721712363.db2.gz UPMNEPADWKAAGA-UHFFFAOYSA-N 2 2 383.544 2.519 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1COc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000328642117 212088385 /nfs/dbraw/zinc/08/83/85/212088385.db2.gz QVTRJOJZGQITIH-PKOBYXMFSA-N 2 2 380.492 2.550 20 0 GFADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000153197839 551447811 /nfs/dbraw/zinc/44/78/11/551447811.db2.gz GOJTZTAPSLJLGT-LPHOPBHVSA-N 2 2 396.373 2.584 20 0 GFADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000153197839 551447813 /nfs/dbraw/zinc/44/78/13/551447813.db2.gz GOJTZTAPSLJLGT-LPHOPBHVSA-N 2 2 396.373 2.584 20 0 GFADLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000153999591 551465031 /nfs/dbraw/zinc/46/50/31/551465031.db2.gz KTSNLSFBSDMMNA-GOSISDBHSA-N 2 2 381.973 2.812 20 0 GFADLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000153999591 551465032 /nfs/dbraw/zinc/46/50/32/551465032.db2.gz KTSNLSFBSDMMNA-GOSISDBHSA-N 2 2 381.973 2.812 20 0 GFADLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000153999591 551465033 /nfs/dbraw/zinc/46/50/33/551465033.db2.gz KTSNLSFBSDMMNA-GOSISDBHSA-N 2 2 381.973 2.812 20 0 GFADLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000153999591 551465034 /nfs/dbraw/zinc/46/50/34/551465034.db2.gz KTSNLSFBSDMMNA-GOSISDBHSA-N 2 2 381.973 2.812 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000177151309 552150746 /nfs/dbraw/zinc/15/07/46/552150746.db2.gz MJYQADTXYUPMDR-ROUUACIJSA-N 2 2 394.357 2.695 20 0 GFADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190972885 552515196 /nfs/dbraw/zinc/51/51/96/552515196.db2.gz WUPSQBZSZCWPCM-INIZCTEOSA-N 2 2 386.323 2.799 20 0 GFADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000247316207 553121687 /nfs/dbraw/zinc/12/16/87/553121687.db2.gz RTHNYECHCIYMRB-GXTWGEPZSA-N 2 2 378.274 2.562 20 0 GFADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1n1cc[nH+]c1 ZINC000247316207 553121689 /nfs/dbraw/zinc/12/16/89/553121689.db2.gz RTHNYECHCIYMRB-GXTWGEPZSA-N 2 2 378.274 2.562 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247959796 553126753 /nfs/dbraw/zinc/12/67/53/553126753.db2.gz GBQNAUFNOSQHMK-DAYGRLMNSA-N 2 2 392.345 2.929 20 0 GFADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247959796 553126754 /nfs/dbraw/zinc/12/67/54/553126754.db2.gz GBQNAUFNOSQHMK-DAYGRLMNSA-N 2 2 392.345 2.929 20 0 GFADLP Cc1cc(Br)oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836836 563257663 /nfs/dbraw/zinc/25/76/63/563257663.db2.gz BQZJWHWDMVFAPJ-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(Br)oc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836836 563257665 /nfs/dbraw/zinc/25/76/65/563257665.db2.gz BQZJWHWDMVFAPJ-AWEZNQCLSA-N 2 2 384.318 2.591 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830534 563257695 /nfs/dbraw/zinc/25/76/95/563257695.db2.gz NQFPSCZKKRSMOL-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830534 563257697 /nfs/dbraw/zinc/25/76/97/563257697.db2.gz NQFPSCZKKRSMOL-KRWDZBQOSA-N 2 2 394.357 2.998 20 0 GFADLP C[C@@H]1C[N@H+](CCOc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371366416 563274955 /nfs/dbraw/zinc/27/49/55/563274955.db2.gz LTMYJXFJUQFIOD-AEFFLSMTSA-N 2 2 396.373 2.786 20 0 GFADLP C[C@@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371366416 563274958 /nfs/dbraw/zinc/27/49/58/563274958.db2.gz LTMYJXFJUQFIOD-AEFFLSMTSA-N 2 2 396.373 2.786 20 0 GFADLP Brc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422950714 563351373 /nfs/dbraw/zinc/35/13/73/563351373.db2.gz WONTVTWSVDUQHQ-CCKFTAQKSA-N 2 2 394.357 2.632 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(I)cc1Cl ZINC000423093147 563354457 /nfs/dbraw/zinc/35/44/57/563354457.db2.gz GBRCAAQYMUMSAD-GXFFZTMASA-N 2 2 394.684 2.801 20 0 GFADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423484749 563361200 /nfs/dbraw/zinc/36/12/00/563361200.db2.gz AJLOUZWRUYMXRU-GUYCJALGSA-N 2 2 377.330 2.801 20 0 GFADLP Cn1ncc(Br)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000426161721 563445709 /nfs/dbraw/zinc/44/57/09/563445709.db2.gz MVGXWHLZGXKMGN-UHFFFAOYSA-N 2 2 385.350 2.507 20 0 GFADLP C[C@@H]1C[C@H](C)[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389853 563531971 /nfs/dbraw/zinc/53/19/71/563531971.db2.gz XGOSTEHBBPVNRX-RDBSUJKOSA-N 2 2 389.359 2.528 20 0 GFADLP C[C@@H]1C[C@H](C)[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000397389853 563531973 /nfs/dbraw/zinc/53/19/73/563531973.db2.gz XGOSTEHBBPVNRX-RDBSUJKOSA-N 2 2 389.359 2.528 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000430905601 563550237 /nfs/dbraw/zinc/55/02/37/563550237.db2.gz FYFMBYXRKUNCKY-PBHICJAKSA-N 2 2 382.346 2.900 20 0 GFADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000332651764 563610339 /nfs/dbraw/zinc/61/03/39/563610339.db2.gz IRNHSXMMMUKHCU-GFCCVEGCSA-N 2 2 377.286 2.908 20 0 GFADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000288061727 563627583 /nfs/dbraw/zinc/62/75/83/563627583.db2.gz GCQZERKSOAJNAP-UHFFFAOYSA-N 2 2 379.302 2.695 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000439431076 563723712 /nfs/dbraw/zinc/72/37/12/563723712.db2.gz LHQRBRGGXIIJAE-IUODEOHRSA-N 2 2 398.276 2.931 20 0 GFADLP O[C@@H](COc1cc(F)cc(Br)c1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000439431076 563723713 /nfs/dbraw/zinc/72/37/13/563723713.db2.gz LHQRBRGGXIIJAE-IUODEOHRSA-N 2 2 398.276 2.931 20 0 GFADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414693808 563749996 /nfs/dbraw/zinc/74/99/96/563749996.db2.gz NCBYLDGHCRYWLL-DYVFJYSZSA-N 2 2 386.323 2.564 20 0 GFADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000414750749 563751549 /nfs/dbraw/zinc/75/15/49/563751549.db2.gz RQDNJXALIGSCLN-HNNXBMFYSA-N 2 2 383.334 2.868 20 0 GFADLP COC[C@@]1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCC[NH2+]1 ZINC000414945907 563755247 /nfs/dbraw/zinc/75/52/47/563755247.db2.gz RKLQEWHVUKTNMW-HNNXBMFYSA-N 2 2 379.245 2.909 20 0 GFADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415096458 563758861 /nfs/dbraw/zinc/75/88/61/563758861.db2.gz PZRJZINILSZJGP-UGSOOPFHSA-N 2 2 379.298 2.948 20 0 GFADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415099951 563758965 /nfs/dbraw/zinc/75/89/65/563758965.db2.gz ZTLDTCOEGDNGDL-QGZVFWFLSA-N 2 2 392.297 2.501 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140948 563760261 /nfs/dbraw/zinc/76/02/61/563760261.db2.gz OCFZWRAOTZHRBE-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415140948 563760265 /nfs/dbraw/zinc/76/02/65/563760265.db2.gz OCFZWRAOTZHRBE-SJORKVTESA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134374 563760510 /nfs/dbraw/zinc/76/05/10/563760510.db2.gz DQNGCDZPDGRIEC-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415134374 563760512 /nfs/dbraw/zinc/76/05/12/563760512.db2.gz DQNGCDZPDGRIEC-IRXDYDNUSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142376 563761212 /nfs/dbraw/zinc/76/12/12/563761212.db2.gz RHODCARICUSXPC-HZPDHXFCSA-N 2 2 383.323 2.714 20 0 GFADLP O=C1N[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142376 563761213 /nfs/dbraw/zinc/76/12/13/563761213.db2.gz RHODCARICUSXPC-HZPDHXFCSA-N 2 2 383.323 2.714 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364994491 563771208 /nfs/dbraw/zinc/77/12/08/563771208.db2.gz LQESMDKMOIDUME-QGZVFWFLSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364994491 563771210 /nfs/dbraw/zinc/77/12/10/563771210.db2.gz LQESMDKMOIDUME-QGZVFWFLSA-N 2 2 394.357 2.585 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365278286 563779246 /nfs/dbraw/zinc/77/92/46/563779246.db2.gz KRKKDZXNRDSIDK-CRAIPNDOSA-N 2 2 387.615 2.857 20 0 GFADLP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000365278286 563779249 /nfs/dbraw/zinc/77/92/49/563779249.db2.gz KRKKDZXNRDSIDK-CRAIPNDOSA-N 2 2 387.615 2.857 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820112 563869474 /nfs/dbraw/zinc/86/94/74/563869474.db2.gz YIDRAKSEQBADMN-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)cc1F ZINC000446820112 563869478 /nfs/dbraw/zinc/86/94/78/563869478.db2.gz YIDRAKSEQBADMN-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276914 563891426 /nfs/dbraw/zinc/89/14/26/563891426.db2.gz JDMXLDIKJBGWQD-QGZVFWFLSA-N 2 2 381.973 2.858 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3ccc(Cl)cc3)C2)CC1 ZINC000369276914 563891428 /nfs/dbraw/zinc/89/14/28/563891428.db2.gz JDMXLDIKJBGWQD-QGZVFWFLSA-N 2 2 381.973 2.858 20 0 GFADLP C[N@H+](Cc1ccnc2c(Br)cccc12)C1CC[NH+](CCO)CC1 ZINC000449027978 563905433 /nfs/dbraw/zinc/90/54/33/563905433.db2.gz MTGXPLYTSYRKNG-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP C[N@@H+](Cc1ccnc2c(Br)cccc12)C1CC[NH+](CCO)CC1 ZINC000449027978 563905436 /nfs/dbraw/zinc/90/54/36/563905436.db2.gz MTGXPLYTSYRKNG-UHFFFAOYSA-N 2 2 378.314 2.886 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1Br ZINC000449112811 563907039 /nfs/dbraw/zinc/90/70/39/563907039.db2.gz SVOWDHGYTSNTDS-HNNXBMFYSA-N 2 2 386.309 2.621 20 0 GFADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1Br ZINC000449112811 563907042 /nfs/dbraw/zinc/90/70/42/563907042.db2.gz SVOWDHGYTSNTDS-HNNXBMFYSA-N 2 2 386.309 2.621 20 0 GFADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000564320764 564228999 /nfs/dbraw/zinc/22/89/99/564228999.db2.gz OSSLYSTVWYMDRY-BRWVUGGUSA-N 2 2 393.329 2.652 20 0 GFADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1cccc(Br)c1 ZINC000564869450 564253522 /nfs/dbraw/zinc/25/35/22/564253522.db2.gz XJTZMWWTEWSTHU-HNNXBMFYSA-N 2 2 380.286 2.511 20 0 GFADLP O=C1CC[C@@H](C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCN1 ZINC000450976709 564259130 /nfs/dbraw/zinc/25/91/30/564259130.db2.gz DCZHRZHCOYUXAJ-CQSZACIVSA-N 2 2 395.301 2.657 20 0 GFADLP O=C1CC[C@@H](C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CCN1 ZINC000450976709 564259133 /nfs/dbraw/zinc/25/91/33/564259133.db2.gz DCZHRZHCOYUXAJ-CQSZACIVSA-N 2 2 395.301 2.657 20 0 GFADLP O=C(CC[NH2+]C1CC1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000565222799 564271133 /nfs/dbraw/zinc/27/11/33/564271133.db2.gz VLFZPZPVAQNSTH-UHFFFAOYSA-N 2 2 391.313 2.817 20 0 GFADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232859 564271822 /nfs/dbraw/zinc/27/18/22/564271822.db2.gz FMVSWRFBTUKUDL-SMDDNHRTSA-N 2 2 397.331 2.861 20 0 GFADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3nc(-c4cc(Cl)ccc4Cl)cs3)CCN2C1=O ZINC000565232859 564271826 /nfs/dbraw/zinc/27/18/26/564271826.db2.gz FMVSWRFBTUKUDL-SMDDNHRTSA-N 2 2 397.331 2.861 20 0 GFADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000565841017 564298931 /nfs/dbraw/zinc/29/89/31/564298931.db2.gz FELNTRQLVPERCK-MRXNPFEDSA-N 2 2 380.286 2.961 20 0 GFADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000565841017 564298934 /nfs/dbraw/zinc/29/89/34/564298934.db2.gz FELNTRQLVPERCK-MRXNPFEDSA-N 2 2 380.286 2.961 20 0 GFADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000566854768 564346739 /nfs/dbraw/zinc/34/67/39/564346739.db2.gz LTKKWQPMUIEHCZ-XYPHTWIQSA-N 2 2 380.330 2.700 20 0 GFADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000567611151 564379508 /nfs/dbraw/zinc/37/95/08/564379508.db2.gz LUPVPMZPFYBMLY-GOEBONIOSA-N 2 2 391.313 2.672 20 0 GFADLP Cc1cc(Br)cn2cc(CNC(=O)N(C)CC[NH+]3CCCC3)[nH+]c12 ZINC000545413003 564422623 /nfs/dbraw/zinc/42/26/23/564422623.db2.gz NXYUFNXTYZXAOL-UHFFFAOYSA-N 2 2 394.317 2.642 20 0 GFADLP CC[NH+](CC)CCCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545411971 564422745 /nfs/dbraw/zinc/42/27/45/564422745.db2.gz BKJAVRQFDRSFGO-UHFFFAOYSA-N 2 2 396.333 2.936 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514229570 564447639 /nfs/dbraw/zinc/44/76/39/564447639.db2.gz SAIMUJSPKDWOIU-MRXNPFEDSA-N 2 2 378.567 2.770 20 0 GFADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccsc1 ZINC000514229570 564447642 /nfs/dbraw/zinc/44/76/42/564447642.db2.gz SAIMUJSPKDWOIU-MRXNPFEDSA-N 2 2 378.567 2.770 20 0 GFADLP C[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000453312550 564452827 /nfs/dbraw/zinc/45/28/27/564452827.db2.gz VDBACZHTHFSVQK-CYBMUJFWSA-N 2 2 381.318 2.974 20 0 GFADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000547654658 564506060 /nfs/dbraw/zinc/50/60/60/564506060.db2.gz WKBGGIXFKUACAB-DOMZBBRYSA-N 2 2 377.286 2.967 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920325 564527903 /nfs/dbraw/zinc/52/79/03/564527903.db2.gz UWMHDOCAZUDFJU-BBWFWOEESA-N 2 2 385.961 2.916 20 0 GFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481920325 564527905 /nfs/dbraw/zinc/52/79/05/564527905.db2.gz UWMHDOCAZUDFJU-BBWFWOEESA-N 2 2 385.961 2.916 20 0 GFADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549090 564545321 /nfs/dbraw/zinc/54/53/21/564545321.db2.gz CQXOFMBEFSOWDT-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1F ZINC000482549090 564545324 /nfs/dbraw/zinc/54/53/24/564545324.db2.gz CQXOFMBEFSOWDT-CHWSQXEVSA-N 2 2 386.309 2.826 20 0 GFADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1I)C[NH+]1CCOCC1 ZINC000484147457 564582698 /nfs/dbraw/zinc/58/26/98/564582698.db2.gz SFGDABASKPZZIY-KBPBESRZSA-N 2 2 388.293 2.910 20 0 GFADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238108 564618419 /nfs/dbraw/zinc/61/84/19/564618419.db2.gz RSCJHNMLJKYJGI-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238108 564618421 /nfs/dbraw/zinc/61/84/21/564618421.db2.gz RSCJHNMLJKYJGI-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238108 564618427 /nfs/dbraw/zinc/61/84/27/564618427.db2.gz RSCJHNMLJKYJGI-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C2)C1 ZINC000550238108 564618431 /nfs/dbraw/zinc/61/84/31/564618431.db2.gz RSCJHNMLJKYJGI-PKOBYXMFSA-N 2 2 392.341 2.972 20 0 GFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781205 564663324 /nfs/dbraw/zinc/66/33/24/564663324.db2.gz QMLZOFVHQCYSMX-WBMJQRKESA-N 2 2 378.460 2.929 20 0 GFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)[C@H](C)C1 ZINC000551781205 564663327 /nfs/dbraw/zinc/66/33/27/564663327.db2.gz QMLZOFVHQCYSMX-WBMJQRKESA-N 2 2 378.460 2.929 20 0 GFADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905014 564669573 /nfs/dbraw/zinc/66/95/73/564669573.db2.gz BGOVRLMIUIVXMT-ZBFHGGJFSA-N 2 2 384.351 2.878 20 0 GFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000486905014 564669574 /nfs/dbraw/zinc/66/95/74/564669574.db2.gz BGOVRLMIUIVXMT-ZBFHGGJFSA-N 2 2 384.351 2.878 20 0 GFADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457961019 564681749 /nfs/dbraw/zinc/68/17/49/564681749.db2.gz YSPRTFRASGXOSA-OAHLLOKOSA-N 2 2 394.317 2.723 20 0 GFADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457961019 564681752 /nfs/dbraw/zinc/68/17/52/564681752.db2.gz YSPRTFRASGXOSA-OAHLLOKOSA-N 2 2 394.317 2.723 20 0 GFADLP Cc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000552906098 564704418 /nfs/dbraw/zinc/70/44/18/564704418.db2.gz LKWGJEQCLAHVCP-UHFFFAOYSA-N 2 2 376.302 2.911 20 0 GFADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000576225558 564708074 /nfs/dbraw/zinc/70/80/74/564708074.db2.gz TUJJKEPLCLLNSD-IAGOWNOFSA-N 2 2 380.330 2.796 20 0 GFADLP Brc1cccc(-c2cnc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489883583 564756595 /nfs/dbraw/zinc/75/65/95/564756595.db2.gz MHBTVMNJRNQYDU-MRXNPFEDSA-N 2 2 391.313 2.584 20 0 GFADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000493962519 564815065 /nfs/dbraw/zinc/81/50/65/564815065.db2.gz UYQQGQLSKTYCMJ-JKSUJKDBSA-N 2 2 380.330 2.674 20 0 GFADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000493962519 564815070 /nfs/dbraw/zinc/81/50/70/564815070.db2.gz UYQQGQLSKTYCMJ-JKSUJKDBSA-N 2 2 380.330 2.674 20 0 GFADLP Cc1[nH+]cc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)n1C ZINC000581836009 564819970 /nfs/dbraw/zinc/81/99/70/564819970.db2.gz QMVIINVYFMIMLT-UHFFFAOYSA-N 2 2 379.302 2.629 20 0 GFADLP Brc1cncc(Br)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000582427512 564846373 /nfs/dbraw/zinc/84/63/73/564846373.db2.gz AQTXOVYKYFEOPZ-SECBINFHSA-N 2 2 386.091 2.908 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@](C)(O)C(F)(F)F)[nH+]c12 ZINC000582602141 564853974 /nfs/dbraw/zinc/85/39/74/564853974.db2.gz KZSCFYXOYHNSQY-ZDUSSCGKSA-N 2 2 380.208 2.851 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000584180669 564924347 /nfs/dbraw/zinc/92/43/47/564924347.db2.gz ZDWUOZZJAGQDLQ-UHFFFAOYSA-N 2 2 389.309 2.792 20 0 GFADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000584260980 564927949 /nfs/dbraw/zinc/92/79/49/564927949.db2.gz GDSCTHOTBWYMAO-KBPBESRZSA-N 2 2 381.318 2.686 20 0 GFADLP Cc1cc(Br)c(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000560359852 564958868 /nfs/dbraw/zinc/95/88/68/564958868.db2.gz JJAKSISMGTZDEN-CYBMUJFWSA-N 2 2 397.342 2.833 20 0 GFADLP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c[nH+]c2ccc(Br)cn12 ZINC000561970651 565014644 /nfs/dbraw/zinc/01/46/44/565014644.db2.gz PAIDJDHAEWXFKR-UHFFFAOYSA-N 3 2 396.377 2.802 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562985945 565050785 /nfs/dbraw/zinc/05/07/85/565050785.db2.gz KPYKXONFDUFFMC-IIAWOOMASA-N 2 2 391.339 2.822 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985947 565050837 /nfs/dbraw/zinc/05/08/37/565050837.db2.gz KPYKXONFDUFFMC-LZWOXQAQSA-N 2 2 391.339 2.822 20 0 GFADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562985947 565050838 /nfs/dbraw/zinc/05/08/38/565050838.db2.gz KPYKXONFDUFFMC-LZWOXQAQSA-N 2 2 391.339 2.822 20 0 GFADLP C[N@@H+]1CCCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000635916506 565081891 /nfs/dbraw/zinc/08/18/91/565081891.db2.gz LMGQKQQWNZZVPO-HNNXBMFYSA-N 2 2 395.301 2.752 20 0 GFADLP C[N@H+]1CCCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000635916506 565081895 /nfs/dbraw/zinc/08/18/95/565081895.db2.gz LMGQKQQWNZZVPO-HNNXBMFYSA-N 2 2 395.301 2.752 20 0 GFADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1O ZINC000657751798 565126025 /nfs/dbraw/zinc/12/60/25/565126025.db2.gz KPEXAEPSZGECTB-AWEZNQCLSA-N 2 2 385.302 2.506 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H]3CCCC(=O)N3)[nH+]c12 ZINC000639060574 565223347 /nfs/dbraw/zinc/22/33/47/565223347.db2.gz NLTXZULIICJDFH-ZFWWWQNUSA-N 2 2 393.329 2.985 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cc(F)ccc1Br ZINC000617765050 565258827 /nfs/dbraw/zinc/25/88/27/565258827.db2.gz RLMXAOCKUVHUCS-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cc(F)ccc1Br ZINC000617765050 565258830 /nfs/dbraw/zinc/25/88/30/565258830.db2.gz RLMXAOCKUVHUCS-UHFFFAOYSA-N 2 2 388.325 2.521 20 0 GFADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000660692416 565289396 /nfs/dbraw/zinc/28/93/96/565289396.db2.gz MVDSGYYSJFRGOC-UHFFFAOYSA-N 2 2 385.346 2.900 20 0 GFADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000619742080 565357785 /nfs/dbraw/zinc/35/77/85/565357785.db2.gz NSPIUIWGSUCEEZ-IIDMSEBBSA-N 2 2 399.373 2.786 20 0 GFADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1Br ZINC000662356345 565363528 /nfs/dbraw/zinc/36/35/28/565363528.db2.gz REMRVQBKWHQNMS-MRXNPFEDSA-N 2 2 394.338 2.855 20 0 GFADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641424558 565371755 /nfs/dbraw/zinc/37/17/55/565371755.db2.gz KRNUZRNLCWPWFF-BBRMVZONSA-N 2 2 383.334 2.575 20 0 GFADLP O=C(N1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662667157 565380751 /nfs/dbraw/zinc/38/07/51/565380751.db2.gz YUTOYMHCTNXQGD-MRXNPFEDSA-N 2 2 375.822 2.526 20 0 GFADLP Clc1scc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1Cl ZINC000641787524 565399487 /nfs/dbraw/zinc/39/94/87/565399487.db2.gz USHJTRVCBSAMTP-AWEZNQCLSA-N 2 2 378.369 2.941 20 0 GFADLP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(Br)c1OC(F)F ZINC000663502592 565422438 /nfs/dbraw/zinc/42/24/38/565422438.db2.gz VXYVNMYPHSJNDU-UHFFFAOYSA-N 2 2 377.229 2.901 20 0 GFADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086845 565542464 /nfs/dbraw/zinc/54/24/64/565542464.db2.gz ZGDSGJANQYXYKF-ROUUACIJSA-N 2 2 396.373 2.946 20 0 GFADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086845 565542467 /nfs/dbraw/zinc/54/24/67/565542467.db2.gz ZGDSGJANQYXYKF-ROUUACIJSA-N 2 2 396.373 2.946 20 0 GFADLP COC(=O)[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@H]1c1ccc(Br)cc1 ZINC000597154297 565552721 /nfs/dbraw/zinc/55/27/21/565552721.db2.gz BHFDFMRLBOPWLI-DLBZAZTESA-N 2 2 392.297 2.880 20 0 GFADLP COC(=O)[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@H]1c1ccc(Br)cc1 ZINC000597154297 565552724 /nfs/dbraw/zinc/55/27/24/565552724.db2.gz BHFDFMRLBOPWLI-DLBZAZTESA-N 2 2 392.297 2.880 20 0 GFADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000646214259 565590700 /nfs/dbraw/zinc/59/07/00/565590700.db2.gz QDGAZJRFXQSPMT-KGLIPLIRSA-N 2 2 387.355 2.989 20 0 GFADLP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000667683609 565601758 /nfs/dbraw/zinc/60/17/58/565601758.db2.gz WINSWNKPFLZKBD-KDOFPFPSSA-N 2 2 381.362 2.610 20 0 GFADLP Cc1c(Br)cncc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000667683609 565601763 /nfs/dbraw/zinc/60/17/63/565601763.db2.gz WINSWNKPFLZKBD-KDOFPFPSSA-N 2 2 381.362 2.610 20 0 GFADLP [NH3+]C1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000646664855 565613185 /nfs/dbraw/zinc/61/31/85/565613185.db2.gz SVTNBJXCVUXBCY-OFLPRAFFSA-N 2 2 380.330 2.972 20 0 GFADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1cccc(Br)c1 ZINC000625546343 565638064 /nfs/dbraw/zinc/63/80/64/565638064.db2.gz QTDLGHFXRRRFSJ-UHFFFAOYSA-N 2 2 396.329 2.574 20 0 GFADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000647492586 565661603 /nfs/dbraw/zinc/66/16/03/565661603.db2.gz LOPIVZZMZTZCGZ-UHFFFAOYSA-N 2 2 395.370 2.910 20 0 GFADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc(-c2cccc(Br)c2)n1 ZINC000647492586 565661606 /nfs/dbraw/zinc/66/16/06/565661606.db2.gz LOPIVZZMZTZCGZ-UHFFFAOYSA-N 2 2 395.370 2.910 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395097 565902252 /nfs/dbraw/zinc/90/22/52/565902252.db2.gz RJXPJULEZMEOOB-AWEZNQCLSA-N 2 2 390.329 2.973 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395097 565902254 /nfs/dbraw/zinc/90/22/54/565902254.db2.gz RJXPJULEZMEOOB-AWEZNQCLSA-N 2 2 390.329 2.973 20 0 GFADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886644 565919904 /nfs/dbraw/zinc/91/99/04/565919904.db2.gz KEFQTQPPTJKLRJ-RDTXWAMCSA-N 2 2 384.351 2.977 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209553 565925656 /nfs/dbraw/zinc/92/56/56/565925656.db2.gz QEBGKPWUQKYABP-OAHLLOKOSA-N 2 2 381.318 2.739 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000604209553 565925661 /nfs/dbraw/zinc/92/56/61/565925661.db2.gz QEBGKPWUQKYABP-OAHLLOKOSA-N 2 2 381.318 2.739 20 0 GFADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCSc2ccc(Br)cc21 ZINC000653086673 565954081 /nfs/dbraw/zinc/95/40/81/565954081.db2.gz ZFDUBZZZNTVQCL-KGLIPLIRSA-N 2 2 386.359 2.723 20 0 GFADLP Cn1ncc(Br)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020494 566189391 /nfs/dbraw/zinc/18/93/91/566189391.db2.gz LNWMRIWHMMMFAK-YOEHRIQHSA-N 2 2 377.286 2.528 20 0 GFADLP Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635020491 566189480 /nfs/dbraw/zinc/18/94/80/566189480.db2.gz LNWMRIWHMMMFAK-RHSMWYFYSA-N 2 2 377.286 2.528 20 0 GFADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000657071136 566218187 /nfs/dbraw/zinc/21/81/87/566218187.db2.gz GRGJBBZHDAGUBS-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000657071136 566218191 /nfs/dbraw/zinc/21/81/91/566218191.db2.gz GRGJBBZHDAGUBS-ZDUSSCGKSA-N 2 2 396.384 2.685 20 0 GFADLP C[NH+](C)[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)c1ccc(F)cc1 ZINC000821581086 599485489 /nfs/dbraw/zinc/48/54/89/599485489.db2.gz CARSZWSHPUFVDV-GOSISDBHSA-N 2 2 377.427 2.691 20 0 GFADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)cc3F)[nH+]c2)CC1 ZINC000821582859 607488648 /nfs/dbraw/zinc/48/86/48/607488648.db2.gz ACFLGHNJSVXOHB-UHFFFAOYSA-N 2 2 396.474 2.543 20 0 GFADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826518822 608680078 /nfs/dbraw/zinc/68/00/78/608680078.db2.gz YVVHJNYMOPHTRD-QGZVFWFLSA-N 2 2 394.527 2.602 20 0 GFADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000826518822 608680082 /nfs/dbraw/zinc/68/00/82/608680082.db2.gz YVVHJNYMOPHTRD-QGZVFWFLSA-N 2 2 394.527 2.602 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@@H](C)C1 ZINC000825594980 609144580 /nfs/dbraw/zinc/14/45/80/609144580.db2.gz SOMJEAZPDKQUOY-DOXZYTNZSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)[C@@H](C)C1 ZINC000825594980 609144583 /nfs/dbraw/zinc/14/45/83/609144583.db2.gz SOMJEAZPDKQUOY-DOXZYTNZSA-N 2 2 390.507 2.793 20 0 GFADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(-c2nn[nH]n2)c1 ZINC000824655028 609251509 /nfs/dbraw/zinc/25/15/09/609251509.db2.gz AUWYTVVIZDXCIC-KDOFPFPSSA-N 2 2 378.484 2.575 20 0 GFADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612611 609323595 /nfs/dbraw/zinc/32/35/95/609323595.db2.gz NTGRNEYETNSESX-OAHLLOKOSA-N 2 2 396.470 2.689 20 0 GFADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824612608 609323617 /nfs/dbraw/zinc/32/36/17/609323617.db2.gz NTGRNEYETNSESX-HNNXBMFYSA-N 2 2 396.470 2.689 20 0 GFADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903588 654590056 /nfs/dbraw/zinc/59/00/56/654590056.db2.gz XBHZJQWPIHITJR-LJQANCHMSA-N 2 2 375.310 2.958 20 0 GFADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000030903588 654590059 /nfs/dbraw/zinc/59/00/59/654590059.db2.gz XBHZJQWPIHITJR-LJQANCHMSA-N 2 2 375.310 2.958 20 0 GFADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1F ZINC000048402013 654706243 /nfs/dbraw/zinc/70/62/43/654706243.db2.gz DVYNHRGETDCXPH-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1F ZINC000048402013 654706246 /nfs/dbraw/zinc/70/62/46/654706246.db2.gz DVYNHRGETDCXPH-UHFFFAOYSA-N 2 2 386.309 2.686 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000063147663 654849622 /nfs/dbraw/zinc/84/96/22/654849622.db2.gz RFBBJTQGRIFOMA-OAHLLOKOSA-N 2 2 380.989 2.987 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934961 654991902 /nfs/dbraw/zinc/99/19/02/654991902.db2.gz RLEAWCQVQNZYLJ-HZPDHXFCSA-N 2 2 384.293 2.505 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000268934961 654991903 /nfs/dbraw/zinc/99/19/03/654991903.db2.gz RLEAWCQVQNZYLJ-HZPDHXFCSA-N 2 2 384.293 2.505 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000578532159 655481239 /nfs/dbraw/zinc/48/12/39/655481239.db2.gz DTYNTOZTHIPPRS-UHFFFAOYSA-N 2 2 385.302 2.621 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000578532159 655481241 /nfs/dbraw/zinc/48/12/41/655481241.db2.gz DTYNTOZTHIPPRS-UHFFFAOYSA-N 2 2 385.302 2.621 20 0 GFADLP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2occc2Br)cc1 ZINC000736641181 655665538 /nfs/dbraw/zinc/66/55/38/655665538.db2.gz CLHUTIWJZPSZJC-UHFFFAOYSA-N 2 2 380.286 2.623 20 0 GFADLP C[NH+](C)CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787669378 657584086 /nfs/dbraw/zinc/58/40/86/657584086.db2.gz YMWYHMRXXFSZHI-UHFFFAOYSA-N 2 2 397.361 2.871 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3cccc(Br)c3C2)cnn1C ZINC000903896215 663810358 /nfs/dbraw/zinc/81/03/58/663810358.db2.gz UGVUAGSEUKRITH-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3cccc(Br)c3C2)cnn1C ZINC000903896215 663810359 /nfs/dbraw/zinc/81/03/59/663810359.db2.gz UGVUAGSEUKRITH-CQSZACIVSA-N 2 2 377.330 2.667 20 0 GFADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925776544 664674560 /nfs/dbraw/zinc/67/45/60/664674560.db2.gz LIEFZBMAMXNQSV-OCCSQVGLSA-N 2 2 395.903 2.534 20 0 GFADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1Br ZINC000931217784 664788688 /nfs/dbraw/zinc/78/86/88/664788688.db2.gz YUZUDVODDPZJGG-UHFFFAOYSA-N 2 2 384.318 2.639 20 0 GFADLP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000931514811 664797142 /nfs/dbraw/zinc/79/71/42/664797142.db2.gz FEDSTERYWZYGHE-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC2 ZINC000931514811 664797144 /nfs/dbraw/zinc/79/71/44/664797144.db2.gz FEDSTERYWZYGHE-UHFFFAOYSA-N 2 2 375.270 2.813 20 0 GFADLP Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620666 664830145 /nfs/dbraw/zinc/83/01/45/664830145.db2.gz AWAJFIQVSRDDHN-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)ccc(F)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620666 664830147 /nfs/dbraw/zinc/83/01/47/664830147.db2.gz AWAJFIQVSRDDHN-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCOCC23C[NH2+]C3)n1 ZINC001164402631 718860863 /nfs/dbraw/zinc/86/08/63/718860863.db2.gz JVCLWSLEFTXQFW-UHFFFAOYSA-N 2 2 395.532 2.599 20 0 GFADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164841157 720504402 /nfs/dbraw/zinc/50/44/02/720504402.db2.gz XSPULMHVWUQOIJ-AABGKKOBSA-N 2 2 395.555 2.651 20 0 GFADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)cc[nH+]3)CC[C@@H]21 ZINC001164841157 720504407 /nfs/dbraw/zinc/50/44/07/720504407.db2.gz XSPULMHVWUQOIJ-AABGKKOBSA-N 2 2 395.555 2.651 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164833253 720506165 /nfs/dbraw/zinc/50/61/65/720506165.db2.gz CGOIUGJEFGKELR-GUDVDZBRSA-N 2 2 383.544 2.507 20 0 GFADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164833253 720506178 /nfs/dbraw/zinc/50/61/78/720506178.db2.gz CGOIUGJEFGKELR-GUDVDZBRSA-N 2 2 383.544 2.507 20 0 GFADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631790 212087244 /nfs/dbraw/zinc/08/72/44/212087244.db2.gz KWXGCGNSFMNWAI-SVFBPWRDSA-N 2 2 389.588 2.916 20 0 GFADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631790 212087248 /nfs/dbraw/zinc/08/72/48/212087248.db2.gz KWXGCGNSFMNWAI-SVFBPWRDSA-N 2 2 389.588 2.916 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631790 212087250 /nfs/dbraw/zinc/08/72/50/212087250.db2.gz KWXGCGNSFMNWAI-SVFBPWRDSA-N 2 2 389.588 2.916 20 0 GFADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N2CCCCCC2)[C@@H]1c1cnn(C)c1 ZINC000328631790 212087254 /nfs/dbraw/zinc/08/72/54/212087254.db2.gz KWXGCGNSFMNWAI-SVFBPWRDSA-N 2 2 389.588 2.916 20 0 GFADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000328642112 212089509 /nfs/dbraw/zinc/08/95/09/212089509.db2.gz QVTRJOJZGQITIH-IEBWSBKVSA-N 2 2 380.492 2.550 20 0 GFADLP C[C@@H](Cc1ccc(Br)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000157420414 551538162 /nfs/dbraw/zinc/53/81/62/551538162.db2.gz BAQBRSRFIZWVDA-HNNXBMFYSA-N 2 2 396.373 2.770 20 0 GFADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Br)s1 ZINC000168903303 551634963 /nfs/dbraw/zinc/63/49/63/551634963.db2.gz LYNIXXULGAXOTN-AWEZNQCLSA-N 2 2 390.391 2.551 20 0 GFADLP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000246175320 553103718 /nfs/dbraw/zinc/10/37/18/553103718.db2.gz FYCFRXJVGNRSBM-CVEARBPZSA-N 2 2 385.936 2.655 20 0 GFADLP COc1nccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000295401237 563245865 /nfs/dbraw/zinc/24/58/65/563245865.db2.gz MDFBXDAEQBWLLX-UHFFFAOYSA-N 2 2 376.258 2.536 20 0 GFADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000420374705 563262810 /nfs/dbraw/zinc/26/28/10/563262810.db2.gz SFBUAOUIIKFHSJ-VWPFQQQWSA-N 2 2 382.346 2.772 20 0 GFADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cl)cc1I ZINC000423091430 563354991 /nfs/dbraw/zinc/35/49/91/563354991.db2.gz XCBFILSLRKSACV-GXFFZTMASA-N 2 2 394.684 2.801 20 0 GFADLP Brc1cccc2[nH]cc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c21 ZINC000423121186 563356332 /nfs/dbraw/zinc/35/63/32/563356332.db2.gz IDZZYZGWSOLTAF-AEFFLSMTSA-N 2 2 378.314 2.830 20 0 GFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423174839 563358610 /nfs/dbraw/zinc/35/86/10/563358610.db2.gz CFDRPAIVAZNZKT-SNVBAGLBSA-N 2 2 380.341 2.953 20 0 GFADLP CCn1ccnc1[C@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(I)cc1 ZINC000423226946 563359698 /nfs/dbraw/zinc/35/96/98/563359698.db2.gz SWQQFRBLWZNBMG-SWLSCSKDSA-N 2 2 398.292 2.924 20 0 GFADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000303224346 563432918 /nfs/dbraw/zinc/43/29/18/563432918.db2.gz SQVJBYCDNGWGML-UHFFFAOYSA-N 2 2 388.339 2.858 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608620 563546741 /nfs/dbraw/zinc/54/67/41/563546741.db2.gz DYISBCFYQVRFQD-GOEBONIOSA-N 2 2 382.346 2.727 20 0 GFADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430608620 563546743 /nfs/dbraw/zinc/54/67/43/563546743.db2.gz DYISBCFYQVRFQD-GOEBONIOSA-N 2 2 382.346 2.727 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431173303 563556029 /nfs/dbraw/zinc/55/60/29/563556029.db2.gz PUEQILKZCDPEJN-CRAIPNDOSA-N 2 2 393.281 2.737 20 0 GFADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431173303 563556032 /nfs/dbraw/zinc/55/60/32/563556032.db2.gz PUEQILKZCDPEJN-CRAIPNDOSA-N 2 2 393.281 2.737 20 0 GFADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331983858 563569827 /nfs/dbraw/zinc/56/98/27/563569827.db2.gz YKDLRJKFFOPALE-LBPRGKRZSA-N 2 2 382.295 2.876 20 0 GFADLP C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCC[NH2+]C1 ZINC000332304323 563591532 /nfs/dbraw/zinc/59/15/32/563591532.db2.gz GNRPOQLUZONOFN-SLEUVZQESA-N 2 2 387.343 2.645 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435373014 563648652 /nfs/dbraw/zinc/64/86/52/563648652.db2.gz CSDWDTUCYMEGNR-UONOGXRCSA-N 2 2 399.329 2.869 20 0 GFADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435373014 563648657 /nfs/dbraw/zinc/64/86/57/563648657.db2.gz CSDWDTUCYMEGNR-UONOGXRCSA-N 2 2 399.329 2.869 20 0 GFADLP CC[N@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618473 563654959 /nfs/dbraw/zinc/65/49/59/563654959.db2.gz YVEATICWDZBXOY-OAHLLOKOSA-N 2 2 389.359 2.687 20 0 GFADLP CC[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435618473 563654961 /nfs/dbraw/zinc/65/49/61/563654961.db2.gz YVEATICWDZBXOY-OAHLLOKOSA-N 2 2 389.359 2.687 20 0 GFADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829837 563711726 /nfs/dbraw/zinc/71/17/26/563711726.db2.gz RUDOHSZMFXOQAI-VBQJREDUSA-N 2 2 394.313 2.783 20 0 GFADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cc[nH+]c2-c2cccc(Br)c2)C[C@H](C)O1 ZINC000438829837 563711729 /nfs/dbraw/zinc/71/17/29/563711729.db2.gz RUDOHSZMFXOQAI-VBQJREDUSA-N 2 2 394.313 2.783 20 0 GFADLP Cc1c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)nnn1-c1cccc(Br)c1 ZINC000414129420 563720211 /nfs/dbraw/zinc/72/02/11/563720211.db2.gz UYGDYXSDNZQVIC-LBPRGKRZSA-N 2 2 389.301 2.965 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)n1C ZINC000414328077 563726820 /nfs/dbraw/zinc/72/68/20/563726820.db2.gz PQFLLOSETJOXDV-AWEZNQCLSA-N 2 2 378.318 2.617 20 0 GFADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)COc2ncccc2Br)n1C ZINC000414356901 563729482 /nfs/dbraw/zinc/72/94/82/563729482.db2.gz AHXSHKROYOPHKL-UHFFFAOYSA-N 2 2 382.306 2.591 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481683 563846659 /nfs/dbraw/zinc/84/66/59/563846659.db2.gz WIGRZLIZFMFEOO-YJBOKZPZSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481683 563846661 /nfs/dbraw/zinc/84/66/61/563846661.db2.gz WIGRZLIZFMFEOO-YJBOKZPZSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481681 563846665 /nfs/dbraw/zinc/84/66/65/563846665.db2.gz WIGRZLIZFMFEOO-MAUKXSAKSA-N 2 2 392.345 2.931 20 0 GFADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367481681 563846668 /nfs/dbraw/zinc/84/66/68/563846668.db2.gz WIGRZLIZFMFEOO-MAUKXSAKSA-N 2 2 392.345 2.931 20 0 GFADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367622790 563850494 /nfs/dbraw/zinc/85/04/94/563850494.db2.gz KAEFYGXJNORSEG-QGZVFWFLSA-N 2 2 396.373 2.787 20 0 GFADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367622790 563850497 /nfs/dbraw/zinc/85/04/97/563850497.db2.gz KAEFYGXJNORSEG-QGZVFWFLSA-N 2 2 396.373 2.787 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274117 563890934 /nfs/dbraw/zinc/89/09/34/563890934.db2.gz MPNCLEUJOCEIRG-CQSZACIVSA-N 2 2 386.323 2.657 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000369274117 563890935 /nfs/dbraw/zinc/89/09/35/563890935.db2.gz MPNCLEUJOCEIRG-CQSZACIVSA-N 2 2 386.323 2.657 20 0 GFADLP CC[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987251 563893598 /nfs/dbraw/zinc/89/35/98/563893598.db2.gz OQLGLAJANPCZDQ-UONOGXRCSA-N 2 2 378.826 2.508 20 0 GFADLP CC[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987251 563893599 /nfs/dbraw/zinc/89/35/99/563893599.db2.gz OQLGLAJANPCZDQ-UONOGXRCSA-N 2 2 378.826 2.508 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394603 564184224 /nfs/dbraw/zinc/18/42/24/564184224.db2.gz OCHXUJQYCVVRMM-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394603 564184227 /nfs/dbraw/zinc/18/42/27/564184227.db2.gz OCHXUJQYCVVRMM-WMLDXEAASA-N 2 2 398.345 2.603 20 0 GFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602133 564192002 /nfs/dbraw/zinc/19/20/02/564192002.db2.gz SVIRJJPSDBRAFC-VBHSOAQHSA-N 2 2 385.321 2.812 20 0 GFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449602133 564192003 /nfs/dbraw/zinc/19/20/03/564192003.db2.gz SVIRJJPSDBRAFC-VBHSOAQHSA-N 2 2 385.321 2.812 20 0 GFADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000472054019 564212185 /nfs/dbraw/zinc/21/21/85/564212185.db2.gz PUCAJCUWXAUVNW-UHFFFAOYSA-N 2 2 378.929 2.912 20 0 GFADLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541220860 564269897 /nfs/dbraw/zinc/26/98/97/564269897.db2.gz AYQJAVUBNIIQEW-GOSISDBHSA-N 2 2 394.357 2.969 20 0 GFADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000474717625 564286553 /nfs/dbraw/zinc/28/65/53/564286553.db2.gz YSQIQCAYHYMCOX-UHFFFAOYSA-N 2 2 386.309 2.621 20 0 GFADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567059179 564355445 /nfs/dbraw/zinc/35/54/45/564355445.db2.gz QOTAEUDREYQCBH-OAHLLOKOSA-N 2 2 391.339 2.558 20 0 GFADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000568438935 564419094 /nfs/dbraw/zinc/41/90/94/564419094.db2.gz QEQLFGWVQRVLAM-UHFFFAOYSA-N 2 2 380.124 2.615 20 0 GFADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000568438935 564419096 /nfs/dbraw/zinc/41/90/96/564419096.db2.gz QEQLFGWVQRVLAM-UHFFFAOYSA-N 2 2 380.124 2.615 20 0 GFADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@H](C[NH3+])C1 ZINC000568605851 564426946 /nfs/dbraw/zinc/42/69/46/564426946.db2.gz AFLKWHWCKIYHLX-GFCCVEGCSA-N 2 2 377.286 2.709 20 0 GFADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)[C@H](C[NH3+])C1 ZINC000568605851 564426947 /nfs/dbraw/zinc/42/69/47/564426947.db2.gz AFLKWHWCKIYHLX-GFCCVEGCSA-N 2 2 377.286 2.709 20 0 GFADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCN1CC(F)(F)F ZINC000513464220 564430537 /nfs/dbraw/zinc/43/05/37/564430537.db2.gz VWNBRQNYEDQEDB-LBPRGKRZSA-N 2 2 375.357 2.546 20 0 GFADLP Cc1c(Br)cccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000568779236 564433965 /nfs/dbraw/zinc/43/39/65/564433965.db2.gz XSVMGPZIPXUCTK-UHFFFAOYSA-N 2 2 397.361 2.583 20 0 GFADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546122132 564446112 /nfs/dbraw/zinc/44/61/12/564446112.db2.gz VKWNIVBKNWHMTQ-INIZCTEOSA-N 2 2 393.329 2.938 20 0 GFADLP CCC[N@H+]1CCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546122132 564446115 /nfs/dbraw/zinc/44/61/15/564446115.db2.gz VKWNIVBKNWHMTQ-INIZCTEOSA-N 2 2 393.329 2.938 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(I)cc1 ZINC000453260783 564450875 /nfs/dbraw/zinc/45/08/75/564450875.db2.gz RLYUCAWMENDQFX-XJKSGUPXSA-N 2 2 388.293 2.789 20 0 GFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(I)cc1 ZINC000453260783 564450881 /nfs/dbraw/zinc/45/08/81/564450881.db2.gz RLYUCAWMENDQFX-XJKSGUPXSA-N 2 2 388.293 2.789 20 0 GFADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000569136860 564451110 /nfs/dbraw/zinc/45/11/10/564451110.db2.gz ZHYKYBJFPXCTKK-CYBMUJFWSA-N 2 2 392.301 2.630 20 0 GFADLP O=C1[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724107 564475854 /nfs/dbraw/zinc/47/58/54/564475854.db2.gz YIABIOGNMMTAIN-FUHWJXTLSA-N 2 2 378.314 2.630 20 0 GFADLP O=C1[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCN1c1cccc(Br)c1 ZINC000569724107 564475856 /nfs/dbraw/zinc/47/58/56/564475856.db2.gz YIABIOGNMMTAIN-FUHWJXTLSA-N 2 2 378.314 2.630 20 0 GFADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963762 564566333 /nfs/dbraw/zinc/56/63/33/564566333.db2.gz OHRHMGGTZNJJSQ-HYVNUMGLSA-N 2 2 387.293 2.544 20 0 GFADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)COc1cc(F)cc(Br)c1 ZINC000518963762 564566335 /nfs/dbraw/zinc/56/63/35/564566335.db2.gz OHRHMGGTZNJJSQ-HYVNUMGLSA-N 2 2 387.293 2.544 20 0 GFADLP CS[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[C@@H]1[NH+]1CCCC1 ZINC000483407847 564567410 /nfs/dbraw/zinc/56/74/10/564567410.db2.gz RYYXWFMPMNYMGJ-KSZLIROESA-N 2 2 381.973 2.981 20 0 GFADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000571880952 564570826 /nfs/dbraw/zinc/57/08/26/564570826.db2.gz RJBYUMSRRUNSTL-QGZVFWFLSA-N 2 2 392.341 2.941 20 0 GFADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@@H+]1C ZINC000455860579 564575456 /nfs/dbraw/zinc/57/54/56/564575456.db2.gz FHWMOHKZFJTOJH-NWDGAFQWSA-N 2 2 384.322 2.857 20 0 GFADLP C[C@H]1C[C@H](N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC[N@H+]1C ZINC000455860579 564575461 /nfs/dbraw/zinc/57/54/61/564575461.db2.gz FHWMOHKZFJTOJH-NWDGAFQWSA-N 2 2 384.322 2.857 20 0 GFADLP CSc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(SC)n1 ZINC000576292672 564711712 /nfs/dbraw/zinc/71/17/12/564711712.db2.gz VCTMMPKKJVDAED-YIONKMFJSA-N 2 2 379.599 2.668 20 0 GFADLP CSc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(SC)n1 ZINC000576292672 564711715 /nfs/dbraw/zinc/71/17/15/564711715.db2.gz VCTMMPKKJVDAED-YIONKMFJSA-N 2 2 379.599 2.668 20 0 GFADLP Cn1c[nH+]cc1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000459475726 564746171 /nfs/dbraw/zinc/74/61/71/564746171.db2.gz ZGCHHBCJQDVHDF-UHFFFAOYSA-N 3 2 378.274 2.717 20 0 GFADLP Cn1c[nH+]cc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000459475726 564746175 /nfs/dbraw/zinc/74/61/75/564746175.db2.gz ZGCHHBCJQDVHDF-UHFFFAOYSA-N 3 2 378.274 2.717 20 0 GFADLP Cn1c[nH+]cc1CC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000459475726 564746177 /nfs/dbraw/zinc/74/61/77/564746177.db2.gz ZGCHHBCJQDVHDF-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP Cn1c[nH+]cc1CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000459475726 564746181 /nfs/dbraw/zinc/74/61/81/564746181.db2.gz ZGCHHBCJQDVHDF-UHFFFAOYSA-N 2 2 378.274 2.717 20 0 GFADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000493962518 564815221 /nfs/dbraw/zinc/81/52/21/564815221.db2.gz UYQQGQLSKTYCMJ-HZPDHXFCSA-N 2 2 380.330 2.674 20 0 GFADLP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000493962518 564815225 /nfs/dbraw/zinc/81/52/25/564815225.db2.gz UYQQGQLSKTYCMJ-HZPDHXFCSA-N 2 2 380.330 2.674 20 0 GFADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000533563540 564965732 /nfs/dbraw/zinc/96/57/32/564965732.db2.gz PTKZVMACHOVIGL-MRXNPFEDSA-N 2 2 384.343 2.975 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004633 565002249 /nfs/dbraw/zinc/00/22/49/565002249.db2.gz NZXYVNCTYOPMPK-JKSUJKDBSA-N 2 2 381.973 2.983 20 0 GFADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000535004633 565002250 /nfs/dbraw/zinc/00/22/50/565002250.db2.gz NZXYVNCTYOPMPK-JKSUJKDBSA-N 2 2 381.973 2.983 20 0 GFADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134954 565186018 /nfs/dbraw/zinc/18/60/18/565186018.db2.gz QRVYOUYXYXZATG-AWEZNQCLSA-N 2 2 378.318 2.656 20 0 GFADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134954 565186024 /nfs/dbraw/zinc/18/60/24/565186024.db2.gz QRVYOUYXYXZATG-AWEZNQCLSA-N 2 2 378.318 2.656 20 0 GFADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134954 565186029 /nfs/dbraw/zinc/18/60/29/565186029.db2.gz QRVYOUYXYXZATG-AWEZNQCLSA-N 2 2 378.318 2.656 20 0 GFADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638134954 565186035 /nfs/dbraw/zinc/18/60/35/565186035.db2.gz QRVYOUYXYXZATG-AWEZNQCLSA-N 2 2 378.318 2.656 20 0 GFADLP Brc1cnc2c(C[NH2+]CCCCNc3cccc[nH+]3)cnn2c1 ZINC000638518496 565200338 /nfs/dbraw/zinc/20/03/38/565200338.db2.gz MCZNEGJHYLDAQZ-UHFFFAOYSA-N 2 2 375.274 2.869 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000617767447 565258803 /nfs/dbraw/zinc/25/88/03/565258803.db2.gz WAOBPBVTSAZCGK-UHFFFAOYSA-N 2 2 387.347 2.605 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(Br)sc2[nH]1 ZINC000617767447 565258807 /nfs/dbraw/zinc/25/88/07/565258807.db2.gz WAOBPBVTSAZCGK-UHFFFAOYSA-N 2 2 387.347 2.605 20 0 GFADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662474478 565370947 /nfs/dbraw/zinc/37/09/47/565370947.db2.gz ZCWOKMKZWHHBGQ-UHFFFAOYSA-N 2 2 383.315 2.896 20 0 GFADLP COc1cc[nH+]c(N2CCN(c3nc(C)[nH+]c(C)c3Br)CC2)c1 ZINC000663546849 565425978 /nfs/dbraw/zinc/42/59/78/565425978.db2.gz YWPUWPOQOSYKOF-UHFFFAOYSA-N 2 2 378.274 2.586 20 0 GFADLP CN(c1nc(C2CC2)ncc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000663593132 565428211 /nfs/dbraw/zinc/42/82/11/565428211.db2.gz NNORGKOYUKKCKA-OAHLLOKOSA-N 2 2 394.361 2.721 20 0 GFADLP CN(c1nc(C2CC2)ncc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000663593132 565428215 /nfs/dbraw/zinc/42/82/15/565428215.db2.gz NNORGKOYUKKCKA-OAHLLOKOSA-N 2 2 394.361 2.721 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780455 565441042 /nfs/dbraw/zinc/44/10/42/565441042.db2.gz RPGJXUINXWPENZ-SIIHOXLZSA-N 2 2 380.330 2.609 20 0 GFADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780455 565441046 /nfs/dbraw/zinc/44/10/46/565441046.db2.gz RPGJXUINXWPENZ-SIIHOXLZSA-N 2 2 380.330 2.609 20 0 GFADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595300 565484242 /nfs/dbraw/zinc/48/42/42/565484242.db2.gz WYBKYCXVXXYJCH-MRXNPFEDSA-N 2 2 384.307 2.850 20 0 GFADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000644595300 565484244 /nfs/dbraw/zinc/48/42/44/565484244.db2.gz WYBKYCXVXXYJCH-MRXNPFEDSA-N 2 2 384.307 2.850 20 0 GFADLP Cc1sc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635826 565486586 /nfs/dbraw/zinc/48/65/86/565486586.db2.gz CQQTWAWNSLXBJD-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP Cc1sc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644635826 565486590 /nfs/dbraw/zinc/48/65/90/565486590.db2.gz CQQTWAWNSLXBJD-LBPRGKRZSA-N 2 2 386.359 2.717 20 0 GFADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000664998130 565489101 /nfs/dbraw/zinc/48/91/01/565489101.db2.gz BWABLUKIYOOPNV-GQCTYLIASA-N 2 2 397.361 2.645 20 0 GFADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC/C=C/c1ccc(Br)cc1 ZINC000664998130 565489105 /nfs/dbraw/zinc/48/91/05/565489105.db2.gz BWABLUKIYOOPNV-GQCTYLIASA-N 2 2 397.361 2.645 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nc3cc(Br)ccc3o1)CCO2 ZINC000646106769 565586525 /nfs/dbraw/zinc/58/65/25/565586525.db2.gz RRSNNJWDICKMIR-UHFFFAOYSA-N 2 2 380.286 2.887 20 0 GFADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nc3cc(Br)ccc3o1)CCO2 ZINC000646106769 565586530 /nfs/dbraw/zinc/58/65/30/565586530.db2.gz RRSNNJWDICKMIR-UHFFFAOYSA-N 2 2 380.286 2.887 20 0 GFADLP [NH3+]CC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(F)F ZINC000647071348 565635350 /nfs/dbraw/zinc/63/53/50/565635350.db2.gz NZEIKTBKXSJNPD-UONOGXRCSA-N 2 2 390.272 2.685 20 0 GFADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000647794225 565676601 /nfs/dbraw/zinc/67/66/01/565676601.db2.gz VHEYYMAMZAWFMX-SQWLQELKSA-N 3 2 377.330 2.925 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316182 565702645 /nfs/dbraw/zinc/70/26/45/565702645.db2.gz MKFSPGCLILLOEC-QGZVFWFLSA-N 2 2 394.357 2.585 20 0 GFADLP Cc1ccc(Br)cc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316182 565702647 /nfs/dbraw/zinc/70/26/47/565702647.db2.gz MKFSPGCLILLOEC-QGZVFWFLSA-N 2 2 394.357 2.585 20 0 GFADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184930 565924348 /nfs/dbraw/zinc/92/43/48/565924348.db2.gz KPDJNCMPFFWWPD-ZDUSSCGKSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3c(Cl)cccc3Cl)C2)CC1 ZINC000604184930 565924356 /nfs/dbraw/zinc/92/43/56/565924356.db2.gz KPDJNCMPFFWWPD-ZDUSSCGKSA-N 2 2 385.339 2.961 20 0 GFADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccncc1Br ZINC000631141854 565944300 /nfs/dbraw/zinc/94/43/00/565944300.db2.gz JNDANRVJIOZXRC-UHFFFAOYSA-N 2 2 379.302 2.859 20 0 GFADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000653062840 565953289 /nfs/dbraw/zinc/95/32/89/565953289.db2.gz LYIJUHWGBWEABB-CQSZACIVSA-N 2 2 397.342 2.714 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888508 565981066 /nfs/dbraw/zinc/98/10/66/565981066.db2.gz WQONKALUZKYLLK-DOMZBBRYSA-N 2 2 386.359 2.543 20 0 GFADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888508 565981068 /nfs/dbraw/zinc/98/10/68/565981068.db2.gz WQONKALUZKYLLK-DOMZBBRYSA-N 2 2 386.359 2.543 20 0 GFADLP C[C@@H](c1ccccc1Br)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083291 565998320 /nfs/dbraw/zinc/99/83/20/565998320.db2.gz ZHVUYAFQCJIYHG-SUMWQHHRSA-N 2 2 380.330 2.924 20 0 GFADLP C[C@@H](c1ccccc1Br)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678083291 565998326 /nfs/dbraw/zinc/99/83/26/565998326.db2.gz ZHVUYAFQCJIYHG-SUMWQHHRSA-N 2 2 380.330 2.924 20 0 GFADLP Brc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655709403 566083065 /nfs/dbraw/zinc/08/30/65/566083065.db2.gz ZCBDCZQVQKEZTN-PKOBYXMFSA-N 2 2 394.357 2.871 20 0 GFADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655911990 566095542 /nfs/dbraw/zinc/09/55/42/566095542.db2.gz QDPUSCKVIMZOQW-RISCZKNCSA-N 2 2 378.826 2.618 20 0 GFADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3cc(Br)sc3[nH]2)CC1 ZINC000611974086 566146973 /nfs/dbraw/zinc/14/69/73/566146973.db2.gz MKBPKKPZBYCUAC-UHFFFAOYSA-N 2 2 399.358 2.748 20 0 GFADLP Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1Br ZINC000634687086 566170219 /nfs/dbraw/zinc/17/02/19/566170219.db2.gz XXLQXDYHSYPASU-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1Br ZINC000634687086 566170224 /nfs/dbraw/zinc/17/02/24/566170224.db2.gz XXLQXDYHSYPASU-UHFFFAOYSA-N 2 2 396.373 2.644 20 0 GFADLP Cc1c(Br)ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000684048747 566223598 /nfs/dbraw/zinc/22/35/98/566223598.db2.gz DDKWEYUOJOEZBN-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP Cc1c(Br)ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000684048747 566223602 /nfs/dbraw/zinc/22/36/02/566223602.db2.gz DDKWEYUOJOEZBN-CYBMUJFWSA-N 2 2 398.320 2.795 20 0 GFADLP CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000736482233 598368985 /nfs/dbraw/zinc/36/89/85/598368985.db2.gz YQAKKTIRDIEUCG-NRFANRHFSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000736482233 598368987 /nfs/dbraw/zinc/36/89/87/598368987.db2.gz YQAKKTIRDIEUCG-NRFANRHFSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000736482233 598368989 /nfs/dbraw/zinc/36/89/89/598368989.db2.gz YQAKKTIRDIEUCG-NRFANRHFSA-N 2 2 394.523 2.572 20 0 GFADLP CCC[NH+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000736482233 598368993 /nfs/dbraw/zinc/36/89/93/598368993.db2.gz YQAKKTIRDIEUCG-NRFANRHFSA-N 2 2 394.523 2.572 20 0 GFADLP CC[NH+](CC)C[C@@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000736532339 598745845 /nfs/dbraw/zinc/74/58/45/598745845.db2.gz BBHDUOZDKPHCLZ-LLVKDONJSA-N 2 2 391.426 2.580 20 0 GFADLP Cc1cccc2c(NCC[N@@H+]3CCc4sccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335854 599490584 /nfs/dbraw/zinc/49/05/84/599490584.db2.gz MWCDYPKYKAWURA-UHFFFAOYSA-N 2 2 391.504 2.677 20 0 GFADLP Cc1cccc2c(NCC[N@H+]3CCc4sccc4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335854 599490587 /nfs/dbraw/zinc/49/05/87/599490587.db2.gz MWCDYPKYKAWURA-UHFFFAOYSA-N 2 2 391.504 2.677 20 0 GFADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821808533 606480354 /nfs/dbraw/zinc/48/03/54/606480354.db2.gz HQPNDFCPTRDRJB-UZLBHIALSA-N 2 2 392.507 2.876 20 0 GFADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1-c1nn[nH]n1 ZINC000821808533 606480356 /nfs/dbraw/zinc/48/03/56/606480356.db2.gz HQPNDFCPTRDRJB-UZLBHIALSA-N 2 2 392.507 2.876 20 0 GFADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516802 606895892 /nfs/dbraw/zinc/89/58/92/606895892.db2.gz CCHGNOCAXPIBPH-QGZVFWFLSA-N 2 2 381.484 2.732 20 0 GFADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821516802 606895893 /nfs/dbraw/zinc/89/58/93/606895893.db2.gz CCHGNOCAXPIBPH-QGZVFWFLSA-N 2 2 381.484 2.732 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332170 608312747 /nfs/dbraw/zinc/31/27/47/608312747.db2.gz LSFXEYBQEZDSNS-UHFFFAOYSA-N 2 2 394.527 2.665 20 0 GFADLP Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1-c1nn[nH]n1 ZINC000826332170 608312749 /nfs/dbraw/zinc/31/27/49/608312749.db2.gz LSFXEYBQEZDSNS-UHFFFAOYSA-N 2 2 394.527 2.665 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168898 608356843 /nfs/dbraw/zinc/35/68/43/608356843.db2.gz BNQLHQSLFADDGX-QGZVFWFLSA-N 2 2 384.528 2.819 20 0 GFADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000826168898 608356845 /nfs/dbraw/zinc/35/68/45/608356845.db2.gz BNQLHQSLFADDGX-QGZVFWFLSA-N 2 2 384.528 2.819 20 0 GFADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594269 609336332 /nfs/dbraw/zinc/33/63/32/609336332.db2.gz JFOPYYLWNIQMMP-VCBZYWHSSA-N 2 2 390.507 2.793 20 0 GFADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC000825594269 609336333 /nfs/dbraw/zinc/33/63/33/609336333.db2.gz JFOPYYLWNIQMMP-VCBZYWHSSA-N 2 2 390.507 2.793 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000268653620 654981614 /nfs/dbraw/zinc/98/16/14/654981614.db2.gz GZJKNNBRTLLQHD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP Cc1ccc(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000268653620 654981617 /nfs/dbraw/zinc/98/16/17/654981617.db2.gz GZJKNNBRTLLQHD-UHFFFAOYSA-N 2 2 382.346 2.856 20 0 GFADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954051 654992722 /nfs/dbraw/zinc/99/27/22/654992722.db2.gz VTOBGBJHEJHPJA-HUUCEWRRSA-N 2 2 398.370 2.915 20 0 GFADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000268954051 654992725 /nfs/dbraw/zinc/99/27/25/654992725.db2.gz VTOBGBJHEJHPJA-HUUCEWRRSA-N 2 2 398.370 2.915 20 0 GFADLP C[NH+](C)CCCC1CC[NH+](Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000160039114 655118703 /nfs/dbraw/zinc/11/87/03/655118703.db2.gz JYCASOCOEPMMBM-UHFFFAOYSA-N 2 2 385.603 2.522 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372072 655120265 /nfs/dbraw/zinc/12/02/65/655120265.db2.gz XXCZEHPQBQESJN-QGZVFWFLSA-N 2 2 382.346 2.670 20 0 GFADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3OC)C2)CC1 ZINC000107372072 655120268 /nfs/dbraw/zinc/12/02/68/655120268.db2.gz XXCZEHPQBQESJN-QGZVFWFLSA-N 2 2 382.346 2.670 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541110 655435180 /nfs/dbraw/zinc/43/51/80/655435180.db2.gz DIRQIIYWOLHFMP-VBNZEHGJSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(I)cc1 ZINC000252541110 655435182 /nfs/dbraw/zinc/43/51/82/655435182.db2.gz DIRQIIYWOLHFMP-VBNZEHGJSA-N 2 2 386.277 2.805 20 0 GFADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000575172923 655436655 /nfs/dbraw/zinc/43/66/55/655436655.db2.gz XLANGJDGKOINJT-INWMFGNUSA-N 2 2 386.323 2.845 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CO2 ZINC000729683075 655566681 /nfs/dbraw/zinc/56/66/81/655566681.db2.gz BBZSDSPWDLEKIA-DLBZAZTESA-N 2 2 379.298 2.678 20 0 GFADLP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CO2 ZINC000729683075 655566683 /nfs/dbraw/zinc/56/66/83/655566683.db2.gz BBZSDSPWDLEKIA-DLBZAZTESA-N 2 2 379.298 2.678 20 0 GFADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000785476709 657367232 /nfs/dbraw/zinc/36/72/32/657367232.db2.gz YMIUQDJPJFYXHY-INIZCTEOSA-N 2 2 380.989 2.647 20 0 GFADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000785476709 657367238 /nfs/dbraw/zinc/36/72/38/657367238.db2.gz YMIUQDJPJFYXHY-INIZCTEOSA-N 2 2 380.989 2.647 20 0 GFADLP CC[NH+]1CCC[C@H]1CNC(=S)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785476709 657367242 /nfs/dbraw/zinc/36/72/42/657367242.db2.gz YMIUQDJPJFYXHY-INIZCTEOSA-N 2 2 380.989 2.647 20 0 GFADLP CC[NH+]1CCC[C@H]1CNC(=S)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785476709 657367246 /nfs/dbraw/zinc/36/72/46/657367246.db2.gz YMIUQDJPJFYXHY-INIZCTEOSA-N 2 2 380.989 2.647 20 0 GFADLP [NH3+]CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000842471486 661341197 /nfs/dbraw/zinc/34/11/97/661341197.db2.gz DOKGSGVZTGJYIZ-UHFFFAOYSA-N 2 2 379.979 2.617 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912381 661449012 /nfs/dbraw/zinc/44/90/12/661449012.db2.gz SZAPWYGJDYUWBY-BMFZPTHFSA-N 2 2 393.329 2.958 20 0 GFADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc3ccccn3c2Br)C1 ZINC000844912381 661449015 /nfs/dbraw/zinc/44/90/15/661449015.db2.gz SZAPWYGJDYUWBY-BMFZPTHFSA-N 2 2 393.329 2.958 20 0 GFADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009532 661849103 /nfs/dbraw/zinc/84/91/03/661849103.db2.gz MSGJBUCDZMQMBS-ROUUACIJSA-N 2 2 383.330 2.669 20 0 GFADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000852009532 661849106 /nfs/dbraw/zinc/84/91/06/661849106.db2.gz MSGJBUCDZMQMBS-ROUUACIJSA-N 2 2 383.330 2.669 20 0 GFADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)c1ccsc1 ZINC000870863668 662703860 /nfs/dbraw/zinc/70/38/60/662703860.db2.gz UJZNUSSXPCUFOQ-GJZGRUSLSA-N 2 2 382.327 2.930 20 0 GFADLP C[NH+]1CCN(CCCC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876928810 662868250 /nfs/dbraw/zinc/86/82/50/662868250.db2.gz OTOWYFPHZSTJGQ-UHFFFAOYSA-N 2 2 375.742 2.615 20 0 GFADLP C[NH+]1CCC(CNC(=O)NCc2cnc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000920604385 664528427 /nfs/dbraw/zinc/52/84/27/664528427.db2.gz SQMKFRNFQAWFLX-UHFFFAOYSA-N 2 2 385.965 2.546 20 0 GFADLP Cc1nc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)sc1Br ZINC000921522477 664552037 /nfs/dbraw/zinc/55/20/37/664552037.db2.gz RDZHIZDHBTUJHR-CYBMUJFWSA-N 2 2 375.380 2.576 20 0 GFADLP