smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817890020 675185411 /nfs/dbraw/zinc/18/54/11/675185411.db2.gz WCJFRRJHCSPRIM-HSALFYBXSA-N 2 0 361.555 2.487 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057567 680984972 /nfs/dbraw/zinc/98/49/72/680984972.db2.gz KIEYPAKRRHVFDE-BBRMVZONSA-N 2 0 351.878 2.126 20 10 FECDRP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125515 680989204 /nfs/dbraw/zinc/98/92/04/680989204.db2.gz XONQZFJQTIBGSL-CYBMUJFWSA-N 2 0 355.276 2.342 20 10 FECDRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039917 /nfs/dbraw/zinc/03/99/17/681039917.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 2 0 351.878 2.078 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522720 683740115 /nfs/dbraw/zinc/74/01/15/683740115.db2.gz GACRTJBVAHBOMG-UXHICEINSA-N 2 0 360.571 2.108 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522725 683740352 /nfs/dbraw/zinc/74/03/52/683740352.db2.gz GACRTJBVAHBOMG-WOJBJXKFSA-N 2 0 360.571 2.108 20 10 FECDRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426555 /nfs/dbraw/zinc/42/65/55/546426555.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 0 360.546 2.375 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846481 673051258 /nfs/dbraw/zinc/05/12/58/673051258.db2.gz ZFLKVPNWVFWZLP-XJKSGUPXSA-N 2 0 351.878 2.126 20 10 FECDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2)CC1 ZINC000825261151 675644121 /nfs/dbraw/zinc/64/41/21/675644121.db2.gz XONGMJUXNPWHSC-OAHLLOKOSA-N 2 0 368.319 2.413 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)CCCCC[NH3+])cc2F)CC1 ZINC000828883709 675850370 /nfs/dbraw/zinc/85/03/70/675850370.db2.gz RFXHBFJPIQXGBV-UHFFFAOYSA-N 2 0 350.482 2.103 20 10 FECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858125874 682936408 /nfs/dbraw/zinc/93/64/08/682936408.db2.gz ODEVLBPXHPVOIK-HNNXBMFYSA-N 2 0 354.489 2.394 20 10 FECDRP O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127564 690616376 /nfs/dbraw/zinc/61/63/76/690616376.db2.gz LGJGQUKIEHEHMW-INIZCTEOSA-N 2 0 363.889 2.222 20 10 FECDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000268441582 550066482 /nfs/dbraw/zinc/06/64/82/550066482.db2.gz RTOKVYSAYKJMOI-UHFFFAOYSA-N 2 0 357.292 2.480 20 10 FECDRP CN(CCC[N@H+](C)Cc1c(O)cccc1Br)CC[NH+](C)C ZINC000862367997 683578886 /nfs/dbraw/zinc/57/88/86/683578886.db2.gz AVHWYYVWCYJDGM-UHFFFAOYSA-N 2 0 358.324 2.470 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995897 684514162 /nfs/dbraw/zinc/51/41/62/684514162.db2.gz KAKBUTMDXQBYFQ-SFHVURJKSA-N 2 0 351.466 2.209 20 10 FECDRP C[NH+](C)C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1C[NH+](C)C ZINC000877671225 686434018 /nfs/dbraw/zinc/43/40/18/686434018.db2.gz SUZHRJDFZGPISI-ZIAGYGMSSA-N 2 0 370.335 2.326 20 10 FECDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162784939 546141689 /nfs/dbraw/zinc/14/16/89/546141689.db2.gz XCRDRLLMLJBTBX-RBUKOAKNSA-N 2 0 360.546 2.280 20 10 FECDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185392922 547978790 /nfs/dbraw/zinc/97/87/90/547978790.db2.gz QRHBJMPUBUHHAS-QWHCGFSZSA-N 2 0 356.308 2.441 20 10 FECDRP Cc1cc(Br)cc(CN(CC[NH+](C)C)CC[NH+](C)C)c1O ZINC000809741779 674508163 /nfs/dbraw/zinc/50/81/63/674508163.db2.gz WFWZZVKTWNXEFU-UHFFFAOYSA-N 2 0 358.324 2.388 20 10 FECDRP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817890032 675185402 /nfs/dbraw/zinc/18/54/02/675185402.db2.gz WCJFRRJHCSPRIM-XUVXKRRUSA-N 2 0 361.555 2.487 20 10 FECDRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410951 /nfs/dbraw/zinc/41/09/51/675410951.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 2 0 365.905 2.468 20 10 FECDRP Cc1cc(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000825998348 675677388 /nfs/dbraw/zinc/67/73/88/675677388.db2.gz IIHRDSQVUQBKNW-UHFFFAOYSA-N 2 0 353.894 2.436 20 10 FECDRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)CC[N@@H+]1C ZINC000827096290 675728800 /nfs/dbraw/zinc/72/88/00/675728800.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 2 0 365.905 2.466 20 10 FECDRP COCCCN1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756528457 680483072 /nfs/dbraw/zinc/48/30/72/680483072.db2.gz MSQGJGAIMADPQU-CQSZACIVSA-N 2 0 350.459 2.330 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057553 680985100 /nfs/dbraw/zinc/98/51/00/680985100.db2.gz JYYILFANXVILJD-MLGOLLRUSA-N 2 0 369.868 2.265 20 10 FECDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000843125220 680989279 /nfs/dbraw/zinc/98/92/79/680989279.db2.gz OKNDFWMPKPNSEB-ZBFHGGJFSA-N 2 0 355.276 2.483 20 10 FECDRP COc1ccc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000160706767 546064875 /nfs/dbraw/zinc/06/48/75/546064875.db2.gz ZHCOBPUKDSRFJD-FQEVSTJZSA-N 2 0 361.530 2.491 20 10 FECDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)CC1 ZINC000184689302 547865895 /nfs/dbraw/zinc/86/58/95/547865895.db2.gz FXZJHFUZUNZWKF-INIZCTEOSA-N 2 0 353.894 2.266 20 10 FECDRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922677 550611275 /nfs/dbraw/zinc/61/12/75/550611275.db2.gz MTXFZTXEUCHGJY-DOMZBBRYSA-N 2 0 355.429 2.264 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856856 551439028 /nfs/dbraw/zinc/43/90/28/551439028.db2.gz BKLFDHIMTVFHAJ-INIZCTEOSA-N 2 0 374.508 2.473 20 10 FECDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625150 556923973 /nfs/dbraw/zinc/92/39/73/556923973.db2.gz VKKDIJRKTXLVMN-AZUAARDMSA-N 2 0 372.557 2.342 20 10 FECDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858127480 682936363 /nfs/dbraw/zinc/93/63/63/682936363.db2.gz GBFBRXVYSRQHIM-UHFFFAOYSA-N 2 0 354.489 2.394 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCN(OC)CC3)cc2F)CC1 ZINC000924996173 684514514 /nfs/dbraw/zinc/51/45/14/684514514.db2.gz PIRZMBSZOGUXPR-UHFFFAOYSA-N 2 0 350.482 2.083 20 10 FECDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000184899883 547895972 /nfs/dbraw/zinc/89/59/72/547895972.db2.gz XFZIAQBKDFUEBX-CYBMUJFWSA-N 2 0 356.308 2.443 20 10 FECDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C[C@H](C)O1 ZINC000263751909 549931304 /nfs/dbraw/zinc/93/13/04/549931304.db2.gz PEUGWORYGJHKNC-GASCZTMLSA-N 2 0 362.470 2.442 20 10 FECDRP CCC[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000369155717 556519567 /nfs/dbraw/zinc/51/95/67/556519567.db2.gz FGJCLYHXGKIEDZ-UHFFFAOYSA-N 2 0 361.486 2.113 20 10 FECDRP CN1CCN([C@H]2CCCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703623 558401146 /nfs/dbraw/zinc/40/11/46/558401146.db2.gz VLZIYULIUXSOTO-QFIPXVFZSA-N 2 0 372.557 2.125 20 10 FECDRP Cc1c2ccccc2n(C)c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526927377 562269646 /nfs/dbraw/zinc/26/96/46/562269646.db2.gz KOOBNVMIRYYGKV-UHFFFAOYSA-N 2 0 359.518 2.122 20 10 FECDRP COc1cc(Cl)cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620369 675069037 /nfs/dbraw/zinc/06/90/37/675069037.db2.gz RZRRCTBMUADFEH-UHFFFAOYSA-N 2 0 369.893 2.136 20 10 FECDRP COc1cc(Cl)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000841086481 680862652 /nfs/dbraw/zinc/86/26/52/680862652.db2.gz ASMZYEKBLQILQQ-UHFFFAOYSA-N 2 0 353.894 2.360 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000846221651 681203544 /nfs/dbraw/zinc/20/35/44/681203544.db2.gz AJIBPZWBZQIXSD-XCRHUMRWSA-N 2 0 350.434 2.452 20 10 FECDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522892 540731626 /nfs/dbraw/zinc/73/16/26/540731626.db2.gz FMTFPRUTEYMQBH-UHFFFAOYSA-N 2 0 360.546 2.375 20 10 FECDRP CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780687 557561126 /nfs/dbraw/zinc/56/11/26/557561126.db2.gz KZUSCJNNHLQPLY-TZIWHRDSSA-N 2 0 360.546 2.200 20 10 FECDRP C[NH+](C)C/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378298688 558523657 /nfs/dbraw/zinc/52/36/57/558523657.db2.gz IAZKNOAUKHBGHN-NBUZRDOWSA-N 2 0 351.878 2.244 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc2)CC1 ZINC000766223706 680870950 /nfs/dbraw/zinc/87/09/50/680870950.db2.gz JBLURJCQMCTFMX-UHFFFAOYSA-N 2 0 363.399 2.445 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057552 680985055 /nfs/dbraw/zinc/98/50/55/680985055.db2.gz JYYILFANXVILJD-LRDDRELGSA-N 2 0 369.868 2.265 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058323 680985119 /nfs/dbraw/zinc/98/51/19/680985119.db2.gz RQAVQZRAFVVKCN-WFASDCNBSA-N 2 0 369.868 2.265 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000846221648 681203458 /nfs/dbraw/zinc/20/34/58/681203458.db2.gz AJIBPZWBZQIXSD-FDQGKXFDSA-N 2 0 350.434 2.452 20 10 FECDRP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925816603 683040196 /nfs/dbraw/zinc/04/01/96/683040196.db2.gz ZQNHOFFWZKLBHA-OAHLLOKOSA-N 2 0 366.937 2.250 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000883283577 687598310 /nfs/dbraw/zinc/59/83/10/687598310.db2.gz KPKSALGGJDGBOV-UHFFFAOYSA-N 2 0 353.392 2.470 20 10 FECDRP O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127565 690616284 /nfs/dbraw/zinc/61/62/84/690616284.db2.gz LGJGQUKIEHEHMW-MRXNPFEDSA-N 2 0 363.889 2.222 20 10 FECDRP O=C(CCc1c[nH]cn1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540267 557713988 /nfs/dbraw/zinc/71/39/88/557713988.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N 2 0 362.861 2.482 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000378434106 558556610 /nfs/dbraw/zinc/55/66/10/558556610.db2.gz UDJXOFZURGMOPR-GOSISDBHSA-N 2 0 363.477 2.334 20 10 FECDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2O)CC1(C)C ZINC000825773192 675668310 /nfs/dbraw/zinc/66/83/10/675668310.db2.gz APMJGJSUINPNRH-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2F)CC1 ZINC000844191573 681043736 /nfs/dbraw/zinc/04/37/36/681043736.db2.gz XSKTXZKMHADVON-UHFFFAOYSA-N 2 0 350.482 2.101 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000771843389 681071978 /nfs/dbraw/zinc/07/19/78/681071978.db2.gz PMBOQKBPYIBUEX-VWLOTQADSA-N 2 0 357.523 2.466 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000846221650 681203338 /nfs/dbraw/zinc/20/33/38/681203338.db2.gz AJIBPZWBZQIXSD-QANKJYHBSA-N 2 0 350.434 2.452 20 10 FECDRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232729 689167907 /nfs/dbraw/zinc/16/79/07/689167907.db2.gz BNBWBCFXNGYLHP-BFYDXBDKSA-N 2 0 350.459 2.093 20 10 FECDRP C[C@](O)(C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)F ZINC000905193835 691078066 /nfs/dbraw/zinc/07/80/66/691078066.db2.gz FTTMNHMVFJGVNF-IBGZPJMESA-N 2 0 353.457 2.324 20 10 FECDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153744953 672203785 /nfs/dbraw/zinc/20/37/85/672203785.db2.gz BMBNIZLSRZJQRQ-INIZCTEOSA-N 2 0 353.482 2.281 20 10 FECDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825430254 675652677 /nfs/dbraw/zinc/65/26/77/675652677.db2.gz WNASJGYJRKKZOK-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(F)c1N1CCOCC1 ZINC000843341861 680998842 /nfs/dbraw/zinc/99/88/42/680998842.db2.gz HYXJZPLRHJWYPH-ARFHVFGLSA-N 2 0 351.441 2.279 20 10 FECDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858097655 682933886 /nfs/dbraw/zinc/93/38/86/682933886.db2.gz USCVZIBHAREMNC-CYBMUJFWSA-N 2 0 356.308 2.270 20 10 FECDRP CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000076893989 542328511 /nfs/dbraw/zinc/32/85/11/542328511.db2.gz JASJJPUBVYYBHP-UHFFFAOYSA-N 2 0 354.498 2.334 20 10 FECDRP COc1ccc(N2CCC([NH2+]CCCN3CCC[N@H+](C)CC3)CC2)cc1 ZINC000128394697 544050156 /nfs/dbraw/zinc/05/01/56/544050156.db2.gz QWFCLUDEZUDNFB-UHFFFAOYSA-N 2 0 360.546 2.281 20 10 FECDRP Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000179892521 547024812 /nfs/dbraw/zinc/02/48/12/547024812.db2.gz DRTDSNYHFAJHEG-UHFFFAOYSA-N 2 0 353.894 2.244 20 10 FECDRP C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000185362862 547975145 /nfs/dbraw/zinc/97/51/45/547975145.db2.gz SWUMTGPEZXIUPE-OLZOCXBDSA-N 2 0 356.308 2.441 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362200 557161254 /nfs/dbraw/zinc/16/12/54/557161254.db2.gz YBGXVTLYARSPQR-HLLBOEOZSA-N 2 0 350.459 2.093 20 10 FECDRP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378298687 558523623 /nfs/dbraw/zinc/52/36/23/558523623.db2.gz IAZKNOAUKHBGHN-MQDFFIGUSA-N 2 0 351.878 2.244 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000809757963 674508707 /nfs/dbraw/zinc/50/87/07/674508707.db2.gz XURRZUJGZXYCBG-UHFFFAOYSA-N 2 0 352.473 2.211 20 10 FECDRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000840832642 680845714 /nfs/dbraw/zinc/84/57/14/680845714.db2.gz YTCLILZUHIURMV-OAHLLOKOSA-N 2 0 367.921 2.493 20 10 FECDRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(F)c1N1CCOCC1 ZINC000843341866 680998937 /nfs/dbraw/zinc/99/89/37/680998937.db2.gz HYXJZPLRHJWYPH-HRCADAONSA-N 2 0 351.441 2.279 20 10 FECDRP C[N@@H+]1CCC[C@H](N2CCN(Cc3c(O)cccc3Br)CC2)C1 ZINC000862240094 683556736 /nfs/dbraw/zinc/55/67/36/683556736.db2.gz LTOHNXKHGWNOJH-AWEZNQCLSA-N 2 0 368.319 2.367 20 10 FECDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471356 557192046 /nfs/dbraw/zinc/19/20/46/557192046.db2.gz TUXHMEAPHZAEPK-NJYVYQBISA-N 2 0 359.514 2.207 20 10 FECDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]CC1 ZINC000817901877 675185744 /nfs/dbraw/zinc/18/57/44/675185744.db2.gz ZAXBMGVSFSJOBO-CQSZACIVSA-N 2 0 351.466 2.303 20 10 FECDRP O[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)F ZINC000819200346 675269260 /nfs/dbraw/zinc/26/92/60/675269260.db2.gz OHRMNMKKMNQTPU-KRWDZBQOSA-N 2 0 357.420 2.231 20 10 FECDRP Oc1ccc(Br)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087060 680862664 /nfs/dbraw/zinc/86/26/64/680862664.db2.gz ITQBCPUIQROVII-UHFFFAOYSA-N 2 0 368.319 2.461 20 10 FECDRP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125518 680989318 /nfs/dbraw/zinc/98/93/18/680989318.db2.gz XONQZFJQTIBGSL-ZDUSSCGKSA-N 2 0 355.276 2.342 20 10 FECDRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039881 /nfs/dbraw/zinc/03/98/81/681039881.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 2 0 351.878 2.078 20 10 FECDRP CC[NH+]1CCN(CCC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858096627 682934070 /nfs/dbraw/zinc/93/40/70/682934070.db2.gz JPPVWLRKRVXWSN-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900144 /nfs/dbraw/zinc/90/01/44/543900144.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 0 360.546 2.373 20 10 FECDRP CC[NH+]1CCC([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000263757131 549932065 /nfs/dbraw/zinc/93/20/65/549932065.db2.gz GMDSGOLWTFEPCE-UHFFFAOYSA-N 2 0 360.546 2.281 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2F)CC1 ZINC000293978525 552872469 /nfs/dbraw/zinc/87/24/69/552872469.db2.gz BMTRANVEBIZUCN-FUHWJXTLSA-N 2 0 362.493 2.101 20 10 FECDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000296759933 553208214 /nfs/dbraw/zinc/20/82/14/553208214.db2.gz KAVFFBLMBOHUFU-GOSISDBHSA-N 2 0 353.466 2.461 20 10 FECDRP Cc1cc(O)c(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000825185303 675640466 /nfs/dbraw/zinc/64/04/66/675640466.db2.gz MESFXEBFRNCYPY-INIZCTEOSA-N 2 0 353.894 2.386 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000844911566 681092915 /nfs/dbraw/zinc/09/29/15/681092915.db2.gz PAWCCOQVKJTRJY-INMHGKMJSA-N 2 0 350.459 2.270 20 10 FECDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000185042085 547922332 /nfs/dbraw/zinc/92/23/32/547922332.db2.gz ICHFYUCNZNITIP-OAHLLOKOSA-N 2 0 356.470 2.398 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1O ZINC000842478544 680949520 /nfs/dbraw/zinc/94/95/20/680949520.db2.gz HTZBVJAYDMWFPV-MJGOQNOKSA-N 2 0 350.434 2.452 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000844902193 681092655 /nfs/dbraw/zinc/09/26/55/681092655.db2.gz KSWYZHYOYCRTBP-YSVLISHTSA-N 2 0 350.459 2.128 20 10 FECDRP COc1cc(Br)cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000848528061 681572009 /nfs/dbraw/zinc/57/20/09/681572009.db2.gz JLFPFDCUYLHECK-NSHDSACASA-N 2 0 373.291 2.271 20 10 FECDRP CCn1nccc1C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000159906853 545990814 /nfs/dbraw/zinc/99/08/14/545990814.db2.gz RQFSTPKTPJWZNP-UHFFFAOYSA-N 2 0 357.502 2.214 20 10 FECDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000297741206 553332909 /nfs/dbraw/zinc/33/29/09/553332909.db2.gz NXNSACVZSUJAHL-GOSISDBHSA-N 2 0 353.466 2.461 20 10 FECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052771 556205706 /nfs/dbraw/zinc/20/57/06/556205706.db2.gz YQKUTBXFIMGIJX-LJQANCHMSA-N 2 0 372.557 2.124 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1OC ZINC000371357820 557159283 /nfs/dbraw/zinc/15/92/83/557159283.db2.gz RFDZICMCDCTCCV-UHFFFAOYSA-N 2 0 364.486 2.344 20 10 FECDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817937238 675187517 /nfs/dbraw/zinc/18/75/17/675187517.db2.gz VYMDLCYUJUQWHR-INIZCTEOSA-N 2 0 366.937 2.123 20 10 FECDRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410806 /nfs/dbraw/zinc/41/08/06/675410806.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 2 0 365.905 2.468 20 10 FECDRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922679 550611384 /nfs/dbraw/zinc/61/13/84/550611384.db2.gz MTXFZTXEUCHGJY-IUODEOHRSA-N 2 0 355.429 2.264 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1O ZINC000530238403 562403524 /nfs/dbraw/zinc/40/35/24/562403524.db2.gz NIRPHOMPWWPUSM-QGZVFWFLSA-N 2 0 350.434 2.324 20 10 FECDRP COc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000846160582 681192093 /nfs/dbraw/zinc/19/20/93/681192093.db2.gz RIZUQHLDOXZMGP-ZBFHGGJFSA-N 2 0 351.491 2.144 20 10 FECDRP CN(C)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000280220618 550972896 /nfs/dbraw/zinc/97/28/96/550972896.db2.gz IVPZRSCANMVCBZ-UHFFFAOYSA-N 2 0 358.452 2.499 20 10 FECDRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000297741208 553332894 /nfs/dbraw/zinc/33/28/94/553332894.db2.gz NXNSACVZSUJAHL-SFHVURJKSA-N 2 0 353.466 2.461 20 10 FECDRP C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958535 554857579 /nfs/dbraw/zinc/85/75/79/554857579.db2.gz KGTFPYFJGZQRQS-PXNSSMCTSA-N 2 0 373.541 2.328 20 10 FECDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625152 556924101 /nfs/dbraw/zinc/92/41/01/556924101.db2.gz VKKDIJRKTXLVMN-QUCCMNQESA-N 2 0 372.557 2.342 20 10 FECDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000376381751 558166014 /nfs/dbraw/zinc/16/60/14/558166014.db2.gz BWDBWKLJYDQYNF-UHFFFAOYSA-N 2 0 358.530 2.177 20 10 FECDRP Cc1cc(Cl)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841070194 680861885 /nfs/dbraw/zinc/86/18/85/680861885.db2.gz LWDIGLNPXCNXFV-ZDUSSCGKSA-N 2 0 351.800 2.280 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689793 681323945 /nfs/dbraw/zinc/32/39/45/681323945.db2.gz KLCAPQXWUMXZBZ-IRXDYDNUSA-N 2 0 357.420 2.326 20 10 FECDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858132649 682936788 /nfs/dbraw/zinc/93/67/88/682936788.db2.gz APKGBAOAPWPQQA-ZDUSSCGKSA-N 2 0 357.292 2.481 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522712 683740414 /nfs/dbraw/zinc/74/04/14/683740414.db2.gz GACRTJBVAHBOMG-PMACEKPBSA-N 2 0 360.571 2.108 20 10 FECDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000185363747 547975214 /nfs/dbraw/zinc/97/52/14/547975214.db2.gz SWUMTGPEZXIUPE-QWHCGFSZSA-N 2 0 356.308 2.441 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(OC)CCOCC3)cc2F)CC1 ZINC000277010741 550621574 /nfs/dbraw/zinc/62/15/74/550621574.db2.gz LIWPBNJZAIMPTQ-UHFFFAOYSA-N 2 0 365.493 2.253 20 10 FECDRP Cc1cc(Cl)cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816621062 675069175 /nfs/dbraw/zinc/06/91/75/675069175.db2.gz XAKOYRYQVLCGMP-UHFFFAOYSA-N 2 0 353.894 2.436 20 10 FECDRP CN(C)c1ccc(/C=C/C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070042 680861723 /nfs/dbraw/zinc/86/17/23/680861723.db2.gz IZCDSTASDCZTSN-IDOMTICXSA-N 2 0 356.436 2.192 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057569 680984964 /nfs/dbraw/zinc/98/49/64/680984964.db2.gz KIEYPAKRRHVFDE-CZUORRHYSA-N 2 0 351.878 2.126 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058322 680985075 /nfs/dbraw/zinc/98/50/75/680985075.db2.gz RQAVQZRAFVVKCN-SWLSCSKDSA-N 2 0 369.868 2.265 20 10 FECDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(O)cccc3Br)C2)CC1 ZINC000858135305 682937140 /nfs/dbraw/zinc/93/71/40/682937140.db2.gz QYPIHRMJAKJMSC-CYBMUJFWSA-N 2 0 368.319 2.413 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)COCCOC)cc2F)CC1 ZINC000892905971 689262566 /nfs/dbraw/zinc/26/25/66/689262566.db2.gz QISSNUXSNIWODT-INIZCTEOSA-N 2 0 353.482 2.109 20 10 FECDRP C[C@@](O)(C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)F ZINC000905193836 691077972 /nfs/dbraw/zinc/07/79/72/691077972.db2.gz FTTMNHMVFJGVNF-LJQANCHMSA-N 2 0 353.457 2.324 20 10 FECDRP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771144 544469497 /nfs/dbraw/zinc/46/94/97/544469497.db2.gz UYCLJRCJZXLPSD-IBGZPJMESA-N 2 0 358.530 2.129 20 10 FECDRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000272476011 550451351 /nfs/dbraw/zinc/45/13/51/550451351.db2.gz QXYIAILZJPUYDG-LJQANCHMSA-N 2 0 350.482 2.101 20 10 FECDRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288412375 552149327 /nfs/dbraw/zinc/14/93/27/552149327.db2.gz AQAHVZPVBPSAJI-UHFFFAOYSA-N 2 0 359.426 2.136 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)c1ccccc1O ZINC000367783041 556137840 /nfs/dbraw/zinc/13/78/40/556137840.db2.gz JQXGMQCTGYMTHT-OAHLLOKOSA-N 2 0 357.502 2.427 20 10 FECDRP Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000475199067 561092797 /nfs/dbraw/zinc/09/27/97/561092797.db2.gz ZYCJZAIXVWQZCN-UHFFFAOYSA-N 2 0 370.541 2.373 20 10 FECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1O ZINC000817936045 675187039 /nfs/dbraw/zinc/18/70/39/675187039.db2.gz MLULXXJQSNZCNT-CYBMUJFWSA-N 2 0 356.308 2.409 20 10 FECDRP CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817934703 675187251 /nfs/dbraw/zinc/18/72/51/675187251.db2.gz BEDUSZSSTJJRPH-OAHLLOKOSA-N 2 0 356.308 2.491 20 10 FECDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2)CC1 ZINC000825261150 675644133 /nfs/dbraw/zinc/64/41/33/675644133.db2.gz XONGMJUXNPWHSC-HNNXBMFYSA-N 2 0 368.319 2.413 20 10 FECDRP Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000840954932 680856815 /nfs/dbraw/zinc/85/68/15/680856815.db2.gz METQHOAKDOYLKJ-UHFFFAOYSA-N 2 0 367.921 2.240 20 10 FECDRP COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1O ZINC000848546786 681575823 /nfs/dbraw/zinc/57/58/23/681575823.db2.gz FKMHJNNCWPNERN-LLVKDONJSA-N 2 0 361.280 2.392 20 10 FECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858125875 682936376 /nfs/dbraw/zinc/93/63/76/682936376.db2.gz ODEVLBPXHPVOIK-OAHLLOKOSA-N 2 0 354.489 2.394 20 10 FECDRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232732 689167703 /nfs/dbraw/zinc/16/77/03/689167703.db2.gz BNBWBCFXNGYLHP-ZMSDIMECSA-N 2 0 350.459 2.093 20 10 FECDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185391606 547978546 /nfs/dbraw/zinc/97/85/46/547978546.db2.gz IPKQGWXNBDDRKF-CHWSQXEVSA-N 2 0 356.308 2.441 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000269285305 550176204 /nfs/dbraw/zinc/17/62/04/550176204.db2.gz HWNQTYIWYBHUTO-DLBZAZTESA-N 2 0 362.493 2.101 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC([NH+](C)C)C2)C1 ZINC000444312464 560109211 /nfs/dbraw/zinc/10/92/11/560109211.db2.gz KZUDQPDFJGSTPA-UHFFFAOYSA-N 2 0 354.498 2.180 20 10 FECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825536800 675658110 /nfs/dbraw/zinc/65/81/10/675658110.db2.gz NJDKJJUYFCQAME-CYBMUJFWSA-N 2 0 356.308 2.270 20 10 FECDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000853248549 682398282 /nfs/dbraw/zinc/39/82/82/682398282.db2.gz VOIQCIHYLMCPLW-UHFFFAOYSA-N 2 0 353.894 2.434 20 10 FECDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000185165863 547944617 /nfs/dbraw/zinc/94/46/17/547944617.db2.gz ZYMMFYPCUPUWCF-OAHLLOKOSA-N 2 0 356.470 2.398 20 10 FECDRP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817890021 675185339 /nfs/dbraw/zinc/18/53/39/675185339.db2.gz WCJFRRJHCSPRIM-SLFFLAALSA-N 2 0 361.555 2.487 20 10 FECDRP O=S1CCC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000893224299 689316031 /nfs/dbraw/zinc/31/60/31/689316031.db2.gz CBTHIIYJRRVNKZ-UHFFFAOYSA-N 2 0 361.555 2.219 20 10 FECDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185391555 547978449 /nfs/dbraw/zinc/97/84/49/547978449.db2.gz IPKQGWXNBDDRKF-STQMWFEESA-N 2 0 356.308 2.441 20 10 FECDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471354 557192104 /nfs/dbraw/zinc/19/21/04/557192104.db2.gz TUXHMEAPHZAEPK-HKBOAZHASA-N 2 0 359.514 2.207 20 10 FECDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153745058 672203676 /nfs/dbraw/zinc/20/36/76/672203676.db2.gz BMBNIZLSRZJQRQ-MRXNPFEDSA-N 2 0 353.482 2.281 20 10 FECDRP Cc1cc(Cl)cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1O ZINC000863641843 683756023 /nfs/dbraw/zinc/75/60/23/683756023.db2.gz CXNQBZHURUTCOF-CVEARBPZSA-N 2 0 365.861 2.111 20 10 FECDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000185165842 547944973 /nfs/dbraw/zinc/94/49/73/547944973.db2.gz ZYMMFYPCUPUWCF-HNNXBMFYSA-N 2 0 356.470 2.398 20 10 FECDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185392905 547978592 /nfs/dbraw/zinc/97/85/92/547978592.db2.gz QRHBJMPUBUHHAS-OLZOCXBDSA-N 2 0 356.308 2.441 20 10 FECDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000185881963 548050305 /nfs/dbraw/zinc/05/03/05/548050305.db2.gz TYKULPGLELKGHL-ZDUSSCGKSA-N 2 0 356.308 2.270 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000269285307 550176419 /nfs/dbraw/zinc/17/64/19/550176419.db2.gz HWNQTYIWYBHUTO-IRXDYDNUSA-N 2 0 362.493 2.101 20 10 FECDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000282439044 551228920 /nfs/dbraw/zinc/22/89/20/551228920.db2.gz RTVTTYVEUUTPOB-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1OC ZINC000377632172 558381231 /nfs/dbraw/zinc/38/12/31/558381231.db2.gz VLAAHRUQKDZFDM-KRWDZBQOSA-N 2 0 363.502 2.011 20 10 FECDRP Cc1cc(O)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000841070314 680861825 /nfs/dbraw/zinc/86/18/25/680861825.db2.gz NEMPBUNMJJNBJT-CQSZACIVSA-N 2 0 351.800 2.280 20 10 FECDRP COCCCN1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000756528455 680483251 /nfs/dbraw/zinc/48/32/51/680483251.db2.gz MSQGJGAIMADPQU-AWEZNQCLSA-N 2 0 350.459 2.330 20 10 FECDRP C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1C[NH+](C)C ZINC000877670056 686433985 /nfs/dbraw/zinc/43/39/85/686433985.db2.gz GTCSMAGTGWWVNH-HUUCEWRRSA-N 2 0 370.335 2.326 20 10 FECDRP C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000185365897 547975368 /nfs/dbraw/zinc/97/53/68/547975368.db2.gz AXCGPUFSFVHBEK-CHWSQXEVSA-N 2 0 356.308 2.441 20 10 FECDRP COc1ccc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000192619230 548368052 /nfs/dbraw/zinc/36/80/52/548368052.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 2 0 372.557 2.422 20 10 FECDRP CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070040 680861658 /nfs/dbraw/zinc/86/16/58/680861658.db2.gz IZCDSTASDCZTSN-CWIOURORSA-N 2 0 356.436 2.192 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000846221649 681203290 /nfs/dbraw/zinc/20/32/90/681203290.db2.gz AJIBPZWBZQIXSD-OWQGQXMQSA-N 2 0 350.434 2.452 20 10 FECDRP Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000854231220 682526877 /nfs/dbraw/zinc/52/68/77/682526877.db2.gz CPMBRFZPZXQVNY-VIFPVBQESA-N 2 0 367.247 2.268 20 10 FECDRP C[C@H](C[NH2+]Cc1c(O)cccc1Br)CN1CC[NH+](C)CC1 ZINC000858126071 682936277 /nfs/dbraw/zinc/93/62/77/682936277.db2.gz RIDFGHANBXKGPQ-CYBMUJFWSA-N 2 0 356.308 2.128 20 10 FECDRP CCO[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)CN(C)C ZINC000922756845 683778154 /nfs/dbraw/zinc/77/81/54/683778154.db2.gz PKNVBICLFDMAQD-ZDUSSCGKSA-N 2 0 361.280 2.220 20 10 FECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315701 684261755 /nfs/dbraw/zinc/26/17/55/684261755.db2.gz YEMOATBOOSECJM-CQSZACIVSA-N 2 0 355.276 2.355 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227124 685099727 /nfs/dbraw/zinc/09/97/27/685099727.db2.gz BZNOXKZMQBUFHK-NVXWUHKLSA-N 2 0 356.436 2.007 20 10 FECDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3O)c2)C1 ZINC000108420980 543289742 /nfs/dbraw/zinc/28/97/42/543289742.db2.gz FDYCZFPCOZPCBI-LJQANCHMSA-N 2 0 353.466 2.379 20 10 FECDRP COc1cc(O)c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000160255037 546023130 /nfs/dbraw/zinc/02/31/30/546023130.db2.gz MMXDPMAOSDAFGQ-KRWDZBQOSA-N 2 0 363.502 2.011 20 10 FECDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000184900243 547896212 /nfs/dbraw/zinc/89/62/12/547896212.db2.gz FGHQFNVTNODIIH-ZDUSSCGKSA-N 2 0 356.308 2.443 20 10 FECDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000185365843 547975417 /nfs/dbraw/zinc/97/54/17/547975417.db2.gz AXCGPUFSFVHBEK-STQMWFEESA-N 2 0 356.308 2.441 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cc(F)ccc1O ZINC000361745058 554932412 /nfs/dbraw/zinc/93/24/12/554932412.db2.gz PWUQUPQIWLYWPK-UHFFFAOYSA-N 2 0 361.465 2.005 20 10 FECDRP COc1ccc(N2CCC([NH2+]CCN3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000374242669 557849253 /nfs/dbraw/zinc/84/92/53/557849253.db2.gz ZPWKKDHPYTZSOL-UHFFFAOYSA-N 2 0 360.546 2.280 20 10 FECDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000817888858 675185248 /nfs/dbraw/zinc/18/52/48/675185248.db2.gz QGGVFFIVHRWKFP-INMHGKMJSA-N 2 0 353.482 2.283 20 10 FECDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000817888860 675185394 /nfs/dbraw/zinc/18/53/94/675185394.db2.gz QGGVFFIVHRWKFP-ZOBUZTSGSA-N 2 0 353.482 2.283 20 10 FECDRP COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CC[NH2+]CC1 ZINC000841068472 680861702 /nfs/dbraw/zinc/86/17/02/680861702.db2.gz PVOFLCKTDQYRCO-UHFFFAOYSA-N 2 0 373.291 2.269 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057568 680985013 /nfs/dbraw/zinc/98/50/13/680985013.db2.gz KIEYPAKRRHVFDE-CJNGLKHVSA-N 2 0 351.878 2.126 20 10 FECDRP C[NH+]1CCN(c2ccc(CNCc3n[nH]cc3Br)cc2)CC1 ZINC000771843070 681072036 /nfs/dbraw/zinc/07/20/36/681072036.db2.gz QAMSRZZHOPRTLH-UHFFFAOYSA-N 2 0 364.291 2.214 20 10 FECDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858095885 682934033 /nfs/dbraw/zinc/93/40/33/682934033.db2.gz XYDUSXULRDOEOQ-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP CN(CCC[N@H+](C)Cc1ccc(Br)cc1O)CC[NH+](C)C ZINC000825943430 675675163 /nfs/dbraw/zinc/67/51/63/675675163.db2.gz DZMKTWNSZSUXQB-UHFFFAOYSA-N 2 0 358.324 2.470 20 10 FECDRP CCOc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000076894027 542328976 /nfs/dbraw/zinc/32/89/76/542328976.db2.gz GNMBHFXRWPQEPV-UHFFFAOYSA-N 2 0 371.481 2.372 20 10 FECDRP COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000368052599 556204976 /nfs/dbraw/zinc/20/49/76/556204976.db2.gz XDTNIBQLCILOIF-KRWDZBQOSA-N 2 0 363.502 2.010 20 10 FECDRP C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502037 557892026 /nfs/dbraw/zinc/89/20/26/557892026.db2.gz IGOZPSNINZDUFR-DZFGPLHGSA-N 2 0 359.514 2.427 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1OC ZINC000377632173 558381437 /nfs/dbraw/zinc/38/14/37/558381437.db2.gz VLAAHRUQKDZFDM-QGZVFWFLSA-N 2 0 363.502 2.011 20 10 FECDRP CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000378434107 558556635 /nfs/dbraw/zinc/55/66/35/558556635.db2.gz UDJXOFZURGMOPR-SFHVURJKSA-N 2 0 363.477 2.334 20 10 FECDRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(F)c1N1CCOCC1 ZINC000843341868 680998902 /nfs/dbraw/zinc/99/89/02/680998902.db2.gz HYXJZPLRHJWYPH-OWCLPIDISA-N 2 0 351.441 2.279 20 10 FECDRP CN(C)c1cc(F)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC000877670011 686434055 /nfs/dbraw/zinc/43/40/55/686434055.db2.gz DYWFKEDULDKTDP-HZPDHXFCSA-N 2 0 354.489 2.202 20 10 FECDRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410979 /nfs/dbraw/zinc/41/09/79/675410979.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 2 0 365.905 2.468 20 10 FECDRP CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070046 680861833 /nfs/dbraw/zinc/86/18/33/680861833.db2.gz IZCDSTASDCZTSN-REMYHPOOSA-N 2 0 356.436 2.192 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1O ZINC000842477879 680949132 /nfs/dbraw/zinc/94/91/32/680949132.db2.gz BYISGEFYNITDQT-FUHWJXTLSA-N 2 0 350.434 2.452 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1O ZINC000842477887 680949313 /nfs/dbraw/zinc/94/93/13/680949313.db2.gz BYISGEFYNITDQT-WMZOPIPTSA-N 2 0 350.434 2.452 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227126 685099389 /nfs/dbraw/zinc/09/93/89/685099389.db2.gz BZNOXKZMQBUFHK-WBVHZDCISA-N 2 0 356.436 2.007 20 10 FECDRP COCC[N@@H+](Cc1ccc(OC)c(OC)c1O)CC1CC[NH+](C)CC1 ZINC000895692990 689755456 /nfs/dbraw/zinc/75/54/56/689755456.db2.gz ZOZDDERGIZVQFI-UHFFFAOYSA-N 2 0 352.475 2.200 20 10 FECDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000155647134 545554001 /nfs/dbraw/zinc/55/40/01/545554001.db2.gz JSITZHJWSVLFJC-SFHVURJKSA-N 2 0 360.546 2.280 20 10 FECDRP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000185365862 547975797 /nfs/dbraw/zinc/97/57/97/547975797.db2.gz AXCGPUFSFVHBEK-OLZOCXBDSA-N 2 0 356.308 2.441 20 10 FECDRP CC[N@H+](C)CCNC(=O)Cn1c2ccccc2c2c1CC[NH+](C(C)C)C2 ZINC000444237432 560106575 /nfs/dbraw/zinc/10/65/75/560106575.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 2 0 356.514 2.476 20 10 FECDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825284345 675645083 /nfs/dbraw/zinc/64/50/83/675645083.db2.gz YPFKELNNGLWKFO-OAHLLOKOSA-N 2 0 357.292 2.481 20 10 FECDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000853247802 682398528 /nfs/dbraw/zinc/39/85/28/682398528.db2.gz BMPMFRNNEZPYLD-UHFFFAOYSA-N 2 0 369.893 2.134 20 10 FECDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000883112098 687568261 /nfs/dbraw/zinc/56/82/61/687568261.db2.gz ZUCNYRPKLNFQSJ-UHFFFAOYSA-N 2 0 374.298 2.409 20 10 FECDRP C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000281005061 551053717 /nfs/dbraw/zinc/05/37/17/551053717.db2.gz WFTUMUGAVYGSBZ-CQSZACIVSA-N 2 0 358.452 2.497 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000367749194 556129651 /nfs/dbraw/zinc/12/96/51/556129651.db2.gz LRWUZKVJNCHUSJ-QGZVFWFLSA-N 2 0 363.502 2.010 20 10 FECDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000817888859 675185355 /nfs/dbraw/zinc/18/53/55/675185355.db2.gz QGGVFFIVHRWKFP-UXLLHSPISA-N 2 0 353.482 2.283 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057551 680985140 /nfs/dbraw/zinc/98/51/40/680985140.db2.gz JYYILFANXVILJD-BLLLJJGKSA-N 2 0 369.868 2.265 20 10 FECDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3O)c2)C1 ZINC000108420978 543289759 /nfs/dbraw/zinc/28/97/59/543289759.db2.gz FDYCZFPCOZPCBI-IBGZPJMESA-N 2 0 353.466 2.379 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000362905983 554997941 /nfs/dbraw/zinc/99/79/41/554997941.db2.gz KUKMETXRAYQMBQ-UHFFFAOYSA-N 2 0 371.529 2.483 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000443989958 560098546 /nfs/dbraw/zinc/09/85/46/560098546.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 2 0 368.525 2.476 20 10 FECDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000840832641 680845671 /nfs/dbraw/zinc/84/56/71/680845671.db2.gz YTCLILZUHIURMV-HNNXBMFYSA-N 2 0 367.921 2.493 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000841100032 680863364 /nfs/dbraw/zinc/86/33/64/680863364.db2.gz SBTGKZADTUYCLJ-BEFAXECRSA-N 2 0 350.459 2.128 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000841100036 680863383 /nfs/dbraw/zinc/86/33/83/680863383.db2.gz SBTGKZADTUYCLJ-HNAYVOBHSA-N 2 0 350.459 2.128 20 10 FECDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123585 680989032 /nfs/dbraw/zinc/98/90/32/680989032.db2.gz SDHPHSXIVXLNCB-MRXNPFEDSA-N 2 0 356.436 2.251 20 10 FECDRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018168 544852886 /nfs/dbraw/zinc/85/28/86/544852886.db2.gz GYDAXWIOBFAVMI-KRWDZBQOSA-N 2 0 365.905 2.468 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000160335785 546031522 /nfs/dbraw/zinc/03/15/22/546031522.db2.gz WDTUPOQWEHUWHB-UHFFFAOYSA-N 2 0 364.486 2.486 20 10 FECDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000184900263 547896102 /nfs/dbraw/zinc/89/61/02/547896102.db2.gz FGHQFNVTNODIIH-CYBMUJFWSA-N 2 0 356.308 2.443 20 10 FECDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000184968548 547909027 /nfs/dbraw/zinc/90/90/27/547909027.db2.gz CWQSZRSOBALOIB-HNNXBMFYSA-N 2 0 356.470 2.398 20 10 FECDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185391572 547978906 /nfs/dbraw/zinc/97/89/06/547978906.db2.gz IPKQGWXNBDDRKF-OLZOCXBDSA-N 2 0 356.308 2.441 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cc(C)ccc1O ZINC000363534208 555130249 /nfs/dbraw/zinc/13/02/49/555130249.db2.gz LMXAJNPYINERLM-UHFFFAOYSA-N 2 0 357.502 2.174 20 10 FECDRP Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Cl ZINC000824638820 675614550 /nfs/dbraw/zinc/61/45/50/675614550.db2.gz DAUAJITXYLATED-UHFFFAOYSA-N 2 0 353.894 2.244 20 10 FECDRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039726 /nfs/dbraw/zinc/03/97/26/681039726.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 2 0 351.878 2.078 20 10 FECDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000185392885 547978701 /nfs/dbraw/zinc/97/87/01/547978701.db2.gz QRHBJMPUBUHHAS-STQMWFEESA-N 2 0 356.308 2.441 20 10 FECDRP CN(C)c1ccc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000298317608 553411630 /nfs/dbraw/zinc/41/16/30/553411630.db2.gz KNDDYFXGRMQWDN-UHFFFAOYSA-N 2 0 363.550 2.168 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC[NH+](C)C)C1 ZINC000436457314 559942000 /nfs/dbraw/zinc/94/20/00/559942000.db2.gz MIJJUFQKNTWRJR-UHFFFAOYSA-N 2 0 356.514 2.476 20 10 FECDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768466549 680947775 /nfs/dbraw/zinc/94/77/75/680947775.db2.gz RVBJBSASUQSNAN-INIZCTEOSA-N 2 0 352.475 2.342 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1O ZINC000842478546 680949490 /nfs/dbraw/zinc/94/94/90/680949490.db2.gz HTZBVJAYDMWFPV-PKOBYXMFSA-N 2 0 350.434 2.452 20 10 FECDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788072154 682501391 /nfs/dbraw/zinc/50/13/91/682501391.db2.gz QGKDONUXKCJKDA-UHFFFAOYSA-N 2 0 350.463 2.253 20 10 FECDRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(O)cccc3Br)CC2)C1 ZINC000862240097 683556771 /nfs/dbraw/zinc/55/67/71/683556771.db2.gz LTOHNXKHGWNOJH-CQSZACIVSA-N 2 0 368.319 2.367 20 10 FECDRP CN(C)[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000922752107 683777634 /nfs/dbraw/zinc/77/76/34/683777634.db2.gz LTJASWQJRLRVLY-KRWDZBQOSA-N 2 0 358.452 2.411 20 10 FECDRP COc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1O ZINC000903955070 690989196 /nfs/dbraw/zinc/98/91/96/690989196.db2.gz KABAPIMQUUVALH-SNVBAGLBSA-N 2 0 365.218 2.498 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2)CC1 ZINC000903983060 690992095 /nfs/dbraw/zinc/99/20/95/690992095.db2.gz BFBHRRDJRGFNFY-IRXDYDNUSA-N 2 0 356.436 2.150 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000367749193 556129686 /nfs/dbraw/zinc/12/96/86/556129686.db2.gz LRWUZKVJNCHUSJ-KRWDZBQOSA-N 2 0 363.502 2.010 20 10 FECDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335587 557151083 /nfs/dbraw/zinc/15/10/83/557151083.db2.gz KWUHOICOUKARSO-QFIPXVFZSA-N 2 0 372.557 2.124 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2F)CC1 ZINC000819034263 675254433 /nfs/dbraw/zinc/25/44/33/675254433.db2.gz YRUILNGTWXZDSZ-AWEZNQCLSA-N 2 0 363.399 2.371 20 10 FECDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000832544086 680147110 /nfs/dbraw/zinc/14/71/10/680147110.db2.gz LGUVKEQAZQIXIF-UHFFFAOYSA-N 2 0 351.466 2.240 20 10 FECDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000774378182 681181999 /nfs/dbraw/zinc/18/19/99/681181999.db2.gz XPLSPLLTNAHVFZ-HNNXBMFYSA-N 2 0 355.910 2.405 20 10 FECDRP C[N@@H+]1CCN(CC[NH2+]Cc2c(O)cccc2Br)CC1(C)C ZINC000858161985 682939364 /nfs/dbraw/zinc/93/93/64/682939364.db2.gz KAPKCZDERSHWCH-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP CCO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966628 683190312 /nfs/dbraw/zinc/19/03/12/683190312.db2.gz XOWAREJOVVUUPC-WBVHZDCISA-N 2 0 353.482 2.280 20 10 FECDRP COc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1O ZINC000903955069 690989234 /nfs/dbraw/zinc/98/92/34/690989234.db2.gz KABAPIMQUUVALH-JTQLQIEISA-N 2 0 365.218 2.498 20 10 FECDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000270434088 550272086 /nfs/dbraw/zinc/27/20/86/550272086.db2.gz CLAUINDWXBMREN-UHFFFAOYSA-N 2 0 361.486 2.111 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362201 557161203 /nfs/dbraw/zinc/16/12/03/557161203.db2.gz YBGXVTLYARSPQR-YQQAZPJKSA-N 2 0 350.459 2.093 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1O ZINC000842477875 680949327 /nfs/dbraw/zinc/94/93/27/680949327.db2.gz BYISGEFYNITDQT-AEFFLSMTSA-N 2 0 350.434 2.452 20 10 FECDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123584 680989079 /nfs/dbraw/zinc/98/90/79/680989079.db2.gz SDHPHSXIVXLNCB-INIZCTEOSA-N 2 0 356.436 2.251 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC000771843388 681072029 /nfs/dbraw/zinc/07/20/29/681072029.db2.gz PMBOQKBPYIBUEX-RUZDIDTESA-N 2 0 357.523 2.466 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689791 681324300 /nfs/dbraw/zinc/32/43/00/681324300.db2.gz KLCAPQXWUMXZBZ-IAGOWNOFSA-N 2 0 357.420 2.326 20 10 FECDRP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771114 544469402 /nfs/dbraw/zinc/46/94/02/544469402.db2.gz UYCLJRCJZXLPSD-LJQANCHMSA-N 2 0 358.530 2.129 20 10 FECDRP COc1ccc(N2CCC([NH2+][C@H](C)CCN3CC[NH+](C)CC3)CC2)cc1 ZINC000364189315 555266246 /nfs/dbraw/zinc/26/62/46/555266246.db2.gz JDPWHJRUVXGTIP-GOSISDBHSA-N 2 0 360.546 2.280 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000369286741 556565173 /nfs/dbraw/zinc/56/51/73/556565173.db2.gz CKNFPNRUDVTNFS-UHFFFAOYSA-N 2 0 370.545 2.226 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000443989959 560098592 /nfs/dbraw/zinc/09/85/92/560098592.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 2 0 368.525 2.476 20 10 FECDRP CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817934700 675187090 /nfs/dbraw/zinc/18/70/90/675187090.db2.gz BEDUSZSSTJJRPH-HNNXBMFYSA-N 2 0 356.308 2.491 20 10 FECDRP CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000858135521 682937511 /nfs/dbraw/zinc/93/75/11/682937511.db2.gz WZZQPSJCDUSONA-HNNXBMFYSA-N 2 0 352.473 2.289 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CC(F)F)cc2)CC1 ZINC000858230971 682947332 /nfs/dbraw/zinc/94/73/32/682947332.db2.gz HUIZVSMPWYMQKI-GOSISDBHSA-N 2 0 352.473 2.258 20 10 FECDRP COc1ccc(N2CCC([NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000120920536 543686801 /nfs/dbraw/zinc/68/68/01/543686801.db2.gz MNTUQDCJNVCAKT-GOSISDBHSA-N 2 0 360.546 2.137 20 10 FECDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162784810 546141938 /nfs/dbraw/zinc/14/19/38/546141938.db2.gz XCRDRLLMLJBTBX-RTBURBONSA-N 2 0 360.546 2.280 20 10 FECDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C[C@H](C)O1 ZINC000263751912 549931384 /nfs/dbraw/zinc/93/13/84/549931384.db2.gz PEUGWORYGJHKNC-GJZGRUSLSA-N 2 0 362.470 2.442 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000269285308 550176404 /nfs/dbraw/zinc/17/64/04/550176404.db2.gz HWNQTYIWYBHUTO-SJORKVTESA-N 2 0 362.493 2.101 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000412393315 559032955 /nfs/dbraw/zinc/03/29/55/559032955.db2.gz HAHQQVVLAWXEBY-INIZCTEOSA-N 2 0 356.514 2.474 20 10 FECDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000820086383 675335521 /nfs/dbraw/zinc/33/55/21/675335521.db2.gz BFFWAWDTLNEPOZ-ZDUSSCGKSA-N 2 0 356.898 2.117 20 10 FECDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1O ZINC000825536801 675658050 /nfs/dbraw/zinc/65/80/50/675658050.db2.gz NJDKJJUYFCQAME-ZDUSSCGKSA-N 2 0 356.308 2.270 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1O ZINC000842478540 680949516 /nfs/dbraw/zinc/94/95/16/680949516.db2.gz HTZBVJAYDMWFPV-HKUYNNGSSA-N 2 0 350.434 2.452 20 10 FECDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849051725 681648061 /nfs/dbraw/zinc/64/80/61/681648061.db2.gz GXTRETLXAKYPNN-CYBMUJFWSA-N 2 0 355.280 2.253 20 10 FECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746514 682335229 /nfs/dbraw/zinc/33/52/29/682335229.db2.gz MIZKQGYOWQVFRL-CQSZACIVSA-N 2 0 355.276 2.498 20 10 FECDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000853248369 682398566 /nfs/dbraw/zinc/39/85/66/682398566.db2.gz SGNBNZRMMRQGBI-UHFFFAOYSA-N 2 0 353.894 2.434 20 10 FECDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000076893798 542328870 /nfs/dbraw/zinc/32/88/70/542328870.db2.gz XFGMBQUPSSYNDU-UHFFFAOYSA-N 2 0 353.466 2.203 20 10 FECDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280972993 551050877 /nfs/dbraw/zinc/05/08/77/551050877.db2.gz TYBJILSFEVMWDG-AWEZNQCLSA-N 2 0 358.452 2.497 20 10 FECDRP C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N1CC[NH+](C)CC1 ZINC000281005058 551053806 /nfs/dbraw/zinc/05/38/06/551053806.db2.gz WFTUMUGAVYGSBZ-AWEZNQCLSA-N 2 0 358.452 2.497 20 10 FECDRP Cc1cc(O)c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1Cl ZINC000826120808 675682624 /nfs/dbraw/zinc/68/26/24/675682624.db2.gz JXICXJPOCLWJMF-UHFFFAOYSA-N 2 0 367.921 2.240 20 10 FECDRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)CC[N@@H+]1C ZINC000827096289 675728832 /nfs/dbraw/zinc/72/88/32/675728832.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 2 0 365.905 2.466 20 10 FECDRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766124201 680867978 /nfs/dbraw/zinc/86/79/78/680867978.db2.gz VFQGEHUTCFPGEZ-OAHLLOKOSA-N 2 0 367.921 2.284 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689795 681324269 /nfs/dbraw/zinc/32/42/69/681324269.db2.gz KLCAPQXWUMXZBZ-SJORKVTESA-N 2 0 357.420 2.326 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]34OCCC[C@H]3C4(F)F)cc2)CC1 ZINC000850378612 681894684 /nfs/dbraw/zinc/89/46/84/681894684.db2.gz LKNRZJWDJGYDFR-MSOLQXFVSA-N 2 0 351.441 2.342 20 10 FECDRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232730 689167868 /nfs/dbraw/zinc/16/78/68/689167868.db2.gz BNBWBCFXNGYLHP-HLLBOEOZSA-N 2 0 350.459 2.093 20 10 FECDRP COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1O ZINC000903980632 690991596 /nfs/dbraw/zinc/99/15/96/690991596.db2.gz WCYSAEGYRPGPNZ-CALCHBBNSA-N 2 0 365.905 2.455 20 10 FECDRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000288465993 552158232 /nfs/dbraw/zinc/15/82/32/552158232.db2.gz FFUKSWIQTMWHTH-UHFFFAOYSA-N 2 0 360.414 2.316 20 10 FECDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000296759939 553208232 /nfs/dbraw/zinc/20/82/32/553208232.db2.gz KAVFFBLMBOHUFU-SFHVURJKSA-N 2 0 353.466 2.461 20 10 FECDRP CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780684 557561297 /nfs/dbraw/zinc/56/12/97/557561297.db2.gz KZUSCJNNHLQPLY-PZJWPPBQSA-N 2 0 360.546 2.200 20 10 FECDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000729683871 673243841 /nfs/dbraw/zinc/24/38/41/673243841.db2.gz DTVKGFKPEIKEBD-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP CC(C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N1CC[NH+](C)CC1 ZINC000858093454 682933864 /nfs/dbraw/zinc/93/38/64/682933864.db2.gz BTIQEGIFKKRSPH-LJQANCHMSA-N 2 0 354.489 2.392 20 10 FECDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858097656 682933995 /nfs/dbraw/zinc/93/39/95/682933995.db2.gz USCVZIBHAREMNC-ZDUSSCGKSA-N 2 0 356.308 2.270 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522722 683740267 /nfs/dbraw/zinc/74/02/67/683740267.db2.gz GACRTJBVAHBOMG-VQTJNVASSA-N 2 0 360.571 2.108 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837184 689778458 /nfs/dbraw/zinc/77/84/58/689778458.db2.gz RZYJTBXWXVIVLF-QGZVFWFLSA-N 2 0 357.420 2.185 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000378345594 558534712 /nfs/dbraw/zinc/53/47/12/558534712.db2.gz LWTDXPFAWCRFLU-OAHLLOKOSA-N 2 0 363.502 2.010 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1O ZINC000842477883 680949234 /nfs/dbraw/zinc/94/92/34/680949234.db2.gz BYISGEFYNITDQT-SJLPKXTDSA-N 2 0 350.434 2.452 20 10 FECDRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039825 /nfs/dbraw/zinc/03/98/25/681039825.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 2 0 351.878 2.078 20 10 FECDRP CCO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966626 683190510 /nfs/dbraw/zinc/19/05/10/683190510.db2.gz XOWAREJOVVUUPC-NVXWUHKLSA-N 2 0 353.482 2.280 20 10 FECDRP COc1ccc(N2CCC([NH2+]C[C@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000120920389 543686526 /nfs/dbraw/zinc/68/65/26/543686526.db2.gz MNTUQDCJNVCAKT-SFHVURJKSA-N 2 0 360.546 2.137 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000367783036 556138097 /nfs/dbraw/zinc/13/80/97/556138097.db2.gz JQXGMQCTGYMTHT-HNNXBMFYSA-N 2 0 357.502 2.427 20 10 FECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371416655 557179652 /nfs/dbraw/zinc/17/96/52/557179652.db2.gz NMSSGRFNNGNVQJ-UHFFFAOYSA-N 2 0 373.541 2.458 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846480 673050998 /nfs/dbraw/zinc/05/09/98/673050998.db2.gz ZFLKVPNWVFWZLP-CZUORRHYSA-N 2 0 351.878 2.126 20 10 FECDRP O[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)F ZINC000819200347 675269272 /nfs/dbraw/zinc/26/92/72/675269272.db2.gz OHRMNMKKMNQTPU-QGZVFWFLSA-N 2 0 357.420 2.231 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000844911565 681092904 /nfs/dbraw/zinc/09/29/04/681092904.db2.gz PAWCCOQVKJTRJY-BFYDXBDKSA-N 2 0 350.459 2.270 20 10 FECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746513 682334911 /nfs/dbraw/zinc/33/49/11/682334911.db2.gz MIZKQGYOWQVFRL-AWEZNQCLSA-N 2 0 355.276 2.498 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227123 685099597 /nfs/dbraw/zinc/09/95/97/685099597.db2.gz BZNOXKZMQBUFHK-DOTOQJQBSA-N 2 0 356.436 2.007 20 10 FECDRP CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615867 542875835 /nfs/dbraw/zinc/87/58/35/542875835.db2.gz HGRIRIKTZMKDFI-UHFFFAOYSA-N 2 0 360.546 2.423 20 10 FECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134094594 544294327 /nfs/dbraw/zinc/29/43/27/544294327.db2.gz LBJOVXABMZSJRP-UHFFFAOYSA-N 2 0 359.514 2.067 20 10 FECDRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000155647240 545554076 /nfs/dbraw/zinc/55/40/76/545554076.db2.gz JSITZHJWSVLFJC-GOSISDBHSA-N 2 0 360.546 2.280 20 10 FECDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000184968566 547909389 /nfs/dbraw/zinc/90/93/89/547909389.db2.gz CWQSZRSOBALOIB-OAHLLOKOSA-N 2 0 356.470 2.398 20 10 FECDRP Cc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000840955751 680856954 /nfs/dbraw/zinc/85/69/54/680856954.db2.gz WNQGPZRLPRMTRZ-UHFFFAOYSA-N 2 0 367.921 2.240 20 10 FECDRP Cc1cc(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000840950958 680856245 /nfs/dbraw/zinc/85/62/45/680856245.db2.gz UZHFVSWNLHQGJU-UHFFFAOYSA-N 2 0 353.894 2.436 20 10 FECDRP C[NH+](C)CCN1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858095682 682933924 /nfs/dbraw/zinc/93/39/24/682933924.db2.gz RSDCSZSIHBSQIH-UHFFFAOYSA-N 2 0 356.308 2.270 20 10 FECDRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863646753 683756639 /nfs/dbraw/zinc/75/66/39/683756639.db2.gz DQXMTPLXEAZTOU-UHFFFAOYSA-N 2 0 350.463 2.253 20 10 FECDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000185042068 547922733 /nfs/dbraw/zinc/92/27/33/547922733.db2.gz ICHFYUCNZNITIP-HNNXBMFYSA-N 2 0 356.470 2.398 20 10 FECDRP COc1c(O)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289743213 552371442 /nfs/dbraw/zinc/37/14/42/552371442.db2.gz IROVYCDWSDCSPF-UHFFFAOYSA-N 2 0 368.478 2.014 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846478 673051103 /nfs/dbraw/zinc/05/11/03/673051103.db2.gz ZFLKVPNWVFWZLP-BBRMVZONSA-N 2 0 351.878 2.126 20 10 FECDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000841099792 680863309 /nfs/dbraw/zinc/86/33/09/680863309.db2.gz PAGOGEFZXOFHOL-AWEZNQCLSA-N 2 0 366.263 2.042 20 10 FECDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000841099793 680863385 /nfs/dbraw/zinc/86/33/85/680863385.db2.gz PAGOGEFZXOFHOL-CQSZACIVSA-N 2 0 366.263 2.042 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCC(F)(F)CC3)cc2)CC1 ZINC000850405551 681898359 /nfs/dbraw/zinc/89/83/59/681898359.db2.gz TTXKREITYJOXRJ-UHFFFAOYSA-N 2 0 353.457 2.468 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000378345593 558534618 /nfs/dbraw/zinc/53/46/18/558534618.db2.gz LWTDXPFAWCRFLU-HNNXBMFYSA-N 2 0 363.502 2.010 20 10 FECDRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410928 /nfs/dbraw/zinc/41/09/28/675410928.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 2 0 365.905 2.468 20 10 FECDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825114963 675637360 /nfs/dbraw/zinc/63/73/60/675637360.db2.gz XLBAGQWWPFXGFN-CYBMUJFWSA-N 2 0 356.308 2.270 20 10 FECDRP CCN(CC)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070797 680861856 /nfs/dbraw/zinc/86/18/56/680861856.db2.gz TXMWBWMJANKSGX-QGZVFWFLSA-N 2 0 358.452 2.459 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000841100038 680863328 /nfs/dbraw/zinc/86/33/28/680863328.db2.gz SBTGKZADTUYCLJ-KXBFYZLASA-N 2 0 350.459 2.128 20 10 FECDRP CN(C)[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000922752108 683777607 /nfs/dbraw/zinc/77/76/07/683777607.db2.gz LTJASWQJRLRVLY-QGZVFWFLSA-N 2 0 358.452 2.411 20 10 FECDRP CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000076893986 542328393 /nfs/dbraw/zinc/32/83/93/542328393.db2.gz RBKPWSULUXNTLH-UHFFFAOYSA-N 2 0 372.488 2.473 20 10 FECDRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000185391587 547978365 /nfs/dbraw/zinc/97/83/65/547978365.db2.gz IPKQGWXNBDDRKF-QWHCGFSZSA-N 2 0 356.308 2.441 20 10 FECDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625151 556923816 /nfs/dbraw/zinc/92/38/16/556923816.db2.gz VKKDIJRKTXLVMN-ICSRJNTNSA-N 2 0 372.557 2.342 20 10 FECDRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(F)c1N1CCOCC1 ZINC000843341864 680998959 /nfs/dbraw/zinc/99/89/59/680998959.db2.gz HYXJZPLRHJWYPH-BZUAXINKSA-N 2 0 351.441 2.279 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000844902191 681092674 /nfs/dbraw/zinc/09/26/74/681092674.db2.gz KSWYZHYOYCRTBP-LXZKKBNFSA-N 2 0 350.459 2.128 20 10 FECDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858132648 682936574 /nfs/dbraw/zinc/93/65/74/682936574.db2.gz APKGBAOAPWPQQA-CYBMUJFWSA-N 2 0 357.292 2.481 20 10 FECDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000925689317 684578775 /nfs/dbraw/zinc/57/87/75/684578775.db2.gz CNPLWGCCUIUAQI-FLOBVVSRSA-N 2 0 351.441 2.407 20 10 FECDRP COc1ccc(N2CCC([NH2+]C3CCN(CC[NH+](C)C)CC3)CC2)cc1 ZINC000150973865 544492007 /nfs/dbraw/zinc/49/20/07/544492007.db2.gz WCUNVMZRFATPTQ-UHFFFAOYSA-N 2 0 360.546 2.280 20 10 FECDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471355 557191974 /nfs/dbraw/zinc/19/19/74/557191974.db2.gz TUXHMEAPHZAEPK-NJDAHSKKSA-N 2 0 359.514 2.207 20 10 FECDRP Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1O ZINC000817936046 675187123 /nfs/dbraw/zinc/18/71/23/675187123.db2.gz MLULXXJQSNZCNT-ZDUSSCGKSA-N 2 0 356.308 2.409 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc2)CC1 ZINC000883366990 687615365 /nfs/dbraw/zinc/61/53/65/687615365.db2.gz FNFSZLIGVUXDTG-CQSZACIVSA-N 2 0 367.362 2.087 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)CC1 ZINC000903983056 690992132 /nfs/dbraw/zinc/99/21/32/690992132.db2.gz BFBHRRDJRGFNFY-DLBZAZTESA-N 2 0 356.436 2.150 20 10 FECDRP CCOc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000123846646 543786820 /nfs/dbraw/zinc/78/68/20/543786820.db2.gz DQRORAMIMQJSHM-UHFFFAOYSA-N 2 0 371.481 2.372 20 10 FECDRP CCCN(c1ccc(C[NH3+])cc1)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000365497618 555591384 /nfs/dbraw/zinc/59/13/84/555591384.db2.gz XMNUEJSPOBINHZ-UHFFFAOYSA-N 2 0 360.546 2.158 20 10 FECDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc(C)c1O ZINC000368401024 556297580 /nfs/dbraw/zinc/29/75/80/556297580.db2.gz BEXNAKSGPMKTEF-UHFFFAOYSA-N 2 0 357.502 2.174 20 10 FECDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625153 556924024 /nfs/dbraw/zinc/92/40/24/556924024.db2.gz VKKDIJRKTXLVMN-UYAOXDASSA-N 2 0 372.557 2.342 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1O ZINC000842478542 680949506 /nfs/dbraw/zinc/94/95/06/680949506.db2.gz HTZBVJAYDMWFPV-IEBWSBKVSA-N 2 0 350.434 2.452 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058320 680985046 /nfs/dbraw/zinc/98/50/46/680985046.db2.gz RQAVQZRAFVVKCN-DOMZBBRYSA-N 2 0 369.868 2.265 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(C(F)(F)F)CC3)cc2)CC1 ZINC000780892814 681884364 /nfs/dbraw/zinc/88/43/64/681884364.db2.gz KZWDEGXZWMXHRI-UHFFFAOYSA-N 2 0 357.420 2.328 20 10 FECDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858126863 682936178 /nfs/dbraw/zinc/93/61/78/682936178.db2.gz LOUAZHMZXQVLIZ-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3CC(F)F)cc2)CC1 ZINC000858230975 682947193 /nfs/dbraw/zinc/94/71/93/682947193.db2.gz HUIZVSMPWYMQKI-SFHVURJKSA-N 2 0 352.473 2.258 20 10 FECDRP COCCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283191 687598470 /nfs/dbraw/zinc/59/84/70/687598470.db2.gz UHYIRYOZFLJODG-UHFFFAOYSA-N 2 0 360.527 2.374 20 10 FECDRP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899770 /nfs/dbraw/zinc/89/97/70/543899770.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 0 360.546 2.373 20 10 FECDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C[C@@H](C)O1 ZINC000263751917 549931509 /nfs/dbraw/zinc/93/15/09/549931509.db2.gz PEUGWORYGJHKNC-HUUCEWRRSA-N 2 0 362.470 2.442 20 10 FECDRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922681 550611437 /nfs/dbraw/zinc/61/14/37/550611437.db2.gz MTXFZTXEUCHGJY-WFASDCNBSA-N 2 0 355.429 2.264 20 10 FECDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698311 556117270 /nfs/dbraw/zinc/11/72/70/556117270.db2.gz OPWGHXHJGFYELU-SHFXZJCHSA-N 2 0 358.530 2.487 20 10 FECDRP CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780680 557561234 /nfs/dbraw/zinc/56/12/34/557561234.db2.gz KZUSCJNNHLQPLY-CTNGQTDRSA-N 2 0 360.546 2.200 20 10 FECDRP CN1CCN([C@@H]2CCCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703622 558401225 /nfs/dbraw/zinc/40/12/25/558401225.db2.gz VLZIYULIUXSOTO-JOCHJYFZSA-N 2 0 372.557 2.125 20 10 FECDRP CN(CCC[N@H+](C)Cc1cc(Br)ccc1O)CC[NH+](C)C ZINC000809788334 674510249 /nfs/dbraw/zinc/51/02/49/674510249.db2.gz QXOITQNQOXPZSU-UHFFFAOYSA-N 2 0 358.324 2.470 20 10 FECDRP COc1cc(O)c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000160254892 546022994 /nfs/dbraw/zinc/02/29/94/546022994.db2.gz MMXDPMAOSDAFGQ-QGZVFWFLSA-N 2 0 363.502 2.011 20 10 FECDRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000289140074 552271857 /nfs/dbraw/zinc/27/18/57/552271857.db2.gz AEZJQCSBXQIICU-UHFFFAOYSA-N 2 0 363.477 2.345 20 10 FECDRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825284343 675645128 /nfs/dbraw/zinc/64/51/28/675645128.db2.gz YPFKELNNGLWKFO-HNNXBMFYSA-N 2 0 357.292 2.481 20 10 FECDRP Cc1cc(O)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000841070312 680861852 /nfs/dbraw/zinc/86/18/52/680861852.db2.gz NEMPBUNMJJNBJT-AWEZNQCLSA-N 2 0 351.800 2.280 20 10 FECDRP COc1cc(O)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000841100034 680863290 /nfs/dbraw/zinc/86/32/90/680863290.db2.gz SBTGKZADTUYCLJ-DNVCBOLYSA-N 2 0 350.459 2.128 20 10 FECDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768466550 680947836 /nfs/dbraw/zinc/94/78/36/680947836.db2.gz RVBJBSASUQSNAN-MRXNPFEDSA-N 2 0 352.475 2.342 20 10 FECDRP COc1cc(Br)cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000848528060 681571861 /nfs/dbraw/zinc/57/18/61/681571861.db2.gz JLFPFDCUYLHECK-LLVKDONJSA-N 2 0 373.291 2.271 20 10 FECDRP CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000858135522 682937456 /nfs/dbraw/zinc/93/74/56/682937456.db2.gz WZZQPSJCDUSONA-OAHLLOKOSA-N 2 0 352.473 2.289 20 10 FECDRP CCO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966622 683190341 /nfs/dbraw/zinc/19/03/41/683190341.db2.gz XOWAREJOVVUUPC-DOTOQJQBSA-N 2 0 353.482 2.280 20 10 FECDRP Cc1cc(O)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Cl)c1 ZINC000863643703 683756614 /nfs/dbraw/zinc/75/66/14/683756614.db2.gz TUZWHENZRKSABW-WBVHZDCISA-N 2 0 365.861 2.111 20 10 FECDRP COc1ccc(N2CCC([NH2+]CCN3CCC([NH+](C)C)CC3)CC2)cc1 ZINC000160214497 546018325 /nfs/dbraw/zinc/01/83/25/546018325.db2.gz PGIANSDDPFJMFO-UHFFFAOYSA-N 2 0 360.546 2.280 20 10 FECDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(OC)c3O)C2)CC1 ZINC000184689284 547866200 /nfs/dbraw/zinc/86/62/00/547866200.db2.gz FXZJHFUZUNZWKF-MRXNPFEDSA-N 2 0 353.894 2.266 20 10 FECDRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1O ZINC000185365879 547975504 /nfs/dbraw/zinc/97/55/04/547975504.db2.gz AXCGPUFSFVHBEK-QWHCGFSZSA-N 2 0 356.308 2.441 20 10 FECDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)ccc1O ZINC000289488394 552329586 /nfs/dbraw/zinc/32/95/86/552329586.db2.gz RHWCCZQPOHRKTO-UHFFFAOYSA-N 2 0 356.308 2.224 20 10 FECDRP CCC[NH+]1CCC(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000367901887 556168680 /nfs/dbraw/zinc/16/86/80/556168680.db2.gz HSAGQGDZKJHDMX-GQCTYLIASA-N 2 0 373.497 2.130 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2F)CC1 ZINC000377956737 558451521 /nfs/dbraw/zinc/45/15/21/558451521.db2.gz MKWNREBTTOTVCV-UHFFFAOYSA-N 2 0 374.504 2.212 20 10 FECDRP CCCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(O)c1 ZINC000092615796 542875483 /nfs/dbraw/zinc/87/54/83/542875483.db2.gz SAXQQWKYCIEKRT-UHFFFAOYSA-N 2 0 363.502 2.071 20 10 FECDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162785059 546141066 /nfs/dbraw/zinc/14/10/66/546141066.db2.gz XCRDRLLMLJBTBX-MOPGFXCFSA-N 2 0 360.546 2.280 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2F)CC1 ZINC000819034264 675254310 /nfs/dbraw/zinc/25/43/10/675254310.db2.gz YRUILNGTWXZDSZ-CQSZACIVSA-N 2 0 363.399 2.371 20 10 FECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057570 680985017 /nfs/dbraw/zinc/98/50/17/680985017.db2.gz KIEYPAKRRHVFDE-XJKSGUPXSA-N 2 0 351.878 2.126 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000873227125 685099969 /nfs/dbraw/zinc/09/99/69/685099969.db2.gz BZNOXKZMQBUFHK-RDJZCZTQSA-N 2 0 356.436 2.007 20 10 FECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1O ZINC000185881977 548050977 /nfs/dbraw/zinc/05/09/77/548050977.db2.gz TYKULPGLELKGHL-CYBMUJFWSA-N 2 0 356.308 2.270 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000292049037 552688237 /nfs/dbraw/zinc/68/82/37/552688237.db2.gz IWYGZRJQWVXJFB-QGZVFWFLSA-N 2 0 362.493 2.116 20 10 FECDRP CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780682 557561365 /nfs/dbraw/zinc/56/13/65/557561365.db2.gz KZUSCJNNHLQPLY-FPOVZHCZSA-N 2 0 360.546 2.200 20 10 FECDRP O=C(CCc1c[nH]cn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540266 557713936 /nfs/dbraw/zinc/71/39/36/557713936.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N 2 0 362.861 2.482 20 10 FECDRP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000443945324 560096794 /nfs/dbraw/zinc/09/67/94/560096794.db2.gz HAHQQVVLAWXEBY-MRXNPFEDSA-N 2 0 356.514 2.474 20 10 FECDRP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817890022 675185395 /nfs/dbraw/zinc/18/53/95/675185395.db2.gz WCJFRRJHCSPRIM-VAMGGRTRSA-N 2 0 361.555 2.487 20 10 FECDRP Cc1cc(O)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Cl)c1 ZINC000840912795 680852503 /nfs/dbraw/zinc/85/25/03/680852503.db2.gz WJRJABKAKUAWER-UHFFFAOYSA-N 2 0 353.894 2.244 20 10 FECDRP COc1cc(Br)cc(C[NH+]2CCC(OCCC[NH3+])CC2)c1O ZINC000843055985 680985067 /nfs/dbraw/zinc/98/50/67/680985067.db2.gz BKLUEIYSVPCAAI-UHFFFAOYSA-N 2 0 373.291 2.493 20 10 FECDRP CC[NH+]1CCN(CCC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000154270698 544884068 /nfs/dbraw/zinc/88/40/68/544884068.db2.gz DUTIFCYNZVIAFK-UHFFFAOYSA-N 2 0 360.546 2.281 20 10 FECDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471357 557191525 /nfs/dbraw/zinc/19/15/25/557191525.db2.gz TUXHMEAPHZAEPK-QHAWAJNXSA-N 2 0 359.514 2.207 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000844902192 681092567 /nfs/dbraw/zinc/09/25/67/681092567.db2.gz KSWYZHYOYCRTBP-QRTARXTBSA-N 2 0 350.459 2.128 20 10 FECDRP CCO[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)CN(C)C ZINC000922756844 683778097 /nfs/dbraw/zinc/77/80/97/683778097.db2.gz PKNVBICLFDMAQD-CYBMUJFWSA-N 2 0 361.280 2.220 20 10 FECDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000185392941 547978655 /nfs/dbraw/zinc/97/86/55/547978655.db2.gz QRHBJMPUBUHHAS-CHWSQXEVSA-N 2 0 356.308 2.441 20 10 FECDRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000276922680 550611313 /nfs/dbraw/zinc/61/13/13/550611313.db2.gz MTXFZTXEUCHGJY-SWLSCSKDSA-N 2 0 355.429 2.264 20 10 FECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052770 556205505 /nfs/dbraw/zinc/20/55/05/556205505.db2.gz YQKUTBXFIMGIJX-IBGZPJMESA-N 2 0 372.557 2.124 20 10 FECDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC[NH2+]CC1 ZINC000817901874 675185591 /nfs/dbraw/zinc/18/55/91/675185591.db2.gz ZAXBMGVSFSJOBO-AWEZNQCLSA-N 2 0 351.466 2.303 20 10 FECDRP COCCC1([NH2+]Cc2cc(Br)cc(OC)c2O)CC[NH2+]CC1 ZINC000873224368 685098987 /nfs/dbraw/zinc/09/89/87/685098987.db2.gz DGGSKAZLEACWIT-UHFFFAOYSA-N 2 0 373.291 2.412 20 10 FECDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000877521318 686400165 /nfs/dbraw/zinc/40/01/65/686400165.db2.gz VVFBVZHANJIHRE-UHFFFAOYSA-N 2 0 357.292 2.480 20 10 FECDRP NC(=O)c1c[nH+]ccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000302156844 553707743 /nfs/dbraw/zinc/70/77/43/553707743.db2.gz NWMVAIANKGAYCS-UHFFFAOYSA-N 2 0 365.481 2.325 20 10 FECDRP C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502038 557892039 /nfs/dbraw/zinc/89/20/39/557892039.db2.gz IGOZPSNINZDUFR-YYWHXJBOSA-N 2 0 359.514 2.427 20 10 FECDRP CSC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+](C)CC1 ZINC000810170206 674535480 /nfs/dbraw/zinc/53/54/80/674535480.db2.gz IJFICCOUVQVGOV-UHFFFAOYSA-N 3 0 362.587 2.355 20 10 FECDRP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865710448 684017322 /nfs/dbraw/zinc/01/73/22/684017322.db2.gz AGTXEYRXAOMVGE-IRXDYDNUSA-N 2 0 359.436 2.476 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000877694021 686438153 /nfs/dbraw/zinc/43/81/53/686438153.db2.gz XGINCZDIUVYFFI-DOTOQJQBSA-N 2 0 357.420 2.041 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)CC1 ZINC000903983058 690992083 /nfs/dbraw/zinc/99/20/83/690992083.db2.gz BFBHRRDJRGFNFY-IAGOWNOFSA-N 2 0 356.436 2.150 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2F)CC1 ZINC000178882581 546865884 /nfs/dbraw/zinc/86/58/84/546865884.db2.gz PGTRPSUCGXVKHR-UHFFFAOYSA-N 2 0 370.472 2.356 20 10 FECDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000817888857 675185198 /nfs/dbraw/zinc/18/51/98/675185198.db2.gz QGGVFFIVHRWKFP-HLLBOEOZSA-N 2 0 353.482 2.283 20 10 FECDRP CN(C)c1ccc(/C=C\C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070044 680861831 /nfs/dbraw/zinc/86/18/31/680861831.db2.gz IZCDSTASDCZTSN-LIMHQNJXSA-N 2 0 356.436 2.192 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000844911567 681092769 /nfs/dbraw/zinc/09/27/69/681092769.db2.gz PAWCCOQVKJTRJY-UXLLHSPISA-N 2 0 350.459 2.270 20 10 FECDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849051729 681647857 /nfs/dbraw/zinc/64/78/57/681647857.db2.gz GXTRETLXAKYPNN-ZDUSSCGKSA-N 2 0 355.280 2.253 20 10 FECDRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018070 544852787 /nfs/dbraw/zinc/85/27/87/544852787.db2.gz GYDAXWIOBFAVMI-QGZVFWFLSA-N 2 0 365.905 2.468 20 10 FECDRP COc1ccc(N2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000160706648 546065294 /nfs/dbraw/zinc/06/52/94/546065294.db2.gz ZHCOBPUKDSRFJD-HXUWFJFHSA-N 2 0 361.530 2.491 20 10 FECDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000184899870 547895950 /nfs/dbraw/zinc/89/59/50/547895950.db2.gz XFZIAQBKDFUEBX-ZDUSSCGKSA-N 2 0 356.308 2.443 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000292048037 552688411 /nfs/dbraw/zinc/68/84/11/552688411.db2.gz IWYGZRJQWVXJFB-KRWDZBQOSA-N 2 0 362.493 2.116 20 10 FECDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698312 556117388 /nfs/dbraw/zinc/11/73/88/556117388.db2.gz OPWGHXHJGFYELU-XIHRNRATSA-N 2 0 358.530 2.487 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000844911568 681092834 /nfs/dbraw/zinc/09/28/34/681092834.db2.gz PAWCCOQVKJTRJY-ZMSDIMECSA-N 2 0 350.459 2.270 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689788 681324200 /nfs/dbraw/zinc/32/42/00/681324200.db2.gz KLCAPQXWUMXZBZ-DLBZAZTESA-N 2 0 357.420 2.326 20 10 FECDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162785185 546140907 /nfs/dbraw/zinc/14/09/07/546140907.db2.gz XCRDRLLMLJBTBX-OALUTQOASA-N 2 0 360.546 2.280 20 10 FECDRP COc1ccc(N2CCC([NH2+][C@@H](C)CCN3CC[NH+](C)CC3)CC2)cc1 ZINC000364189316 555266365 /nfs/dbraw/zinc/26/63/65/555266365.db2.gz JDPWHJRUVXGTIP-SFHVURJKSA-N 2 0 360.546 2.280 20 10 FECDRP Cc1cc(O)c(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000825185304 675640536 /nfs/dbraw/zinc/64/05/36/675640536.db2.gz MESFXEBFRNCYPY-MRXNPFEDSA-N 2 0 353.894 2.386 20 10 FECDRP Cc1cc(Cl)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841070193 680861838 /nfs/dbraw/zinc/86/18/38/680861838.db2.gz LWDIGLNPXCNXFV-CYBMUJFWSA-N 2 0 351.800 2.280 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000844902190 681092705 /nfs/dbraw/zinc/09/27/05/681092705.db2.gz KSWYZHYOYCRTBP-JLJPHGGASA-N 2 0 350.459 2.128 20 10 FECDRP CC(C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N1CC[NH+](C)CC1 ZINC000858093453 682934005 /nfs/dbraw/zinc/93/40/05/682934005.db2.gz BTIQEGIFKKRSPH-IBGZPJMESA-N 2 0 354.489 2.392 20 10 FECDRP CCO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966627 683190424 /nfs/dbraw/zinc/19/04/24/683190424.db2.gz XOWAREJOVVUUPC-RDJZCZTQSA-N 2 0 353.482 2.280 20 10 FECDRP C[NH+](C)C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1C[NH+](C)C ZINC000877669284 686433472 /nfs/dbraw/zinc/43/34/72/686433472.db2.gz BMDNQHYLLBLCLW-HUUCEWRRSA-N 2 0 370.335 2.326 20 10 FECDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000894377057 689521192 /nfs/dbraw/zinc/52/11/92/689521192.db2.gz XZCSWHHIOOFOEL-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP COc1cc(O)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc1OC ZINC000289950970 552404650 /nfs/dbraw/zinc/40/46/50/552404650.db2.gz XVLXVQLUJCVGAO-UHFFFAOYSA-N 2 0 353.507 2.115 20 10 FECDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825336424 675647458 /nfs/dbraw/zinc/64/74/58/675647458.db2.gz AASIQKLKWIBLKA-UHFFFAOYSA-N 2 0 357.292 2.480 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058321 680984996 /nfs/dbraw/zinc/98/49/96/680984996.db2.gz RQAVQZRAFVVKCN-IUODEOHRSA-N 2 0 369.868 2.265 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995896 684514082 /nfs/dbraw/zinc/51/40/82/684514082.db2.gz KAKBUTMDXQBYFQ-GOSISDBHSA-N 2 0 351.466 2.209 20 10 FECDRP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232731 689167847 /nfs/dbraw/zinc/16/78/47/689167847.db2.gz BNBWBCFXNGYLHP-YQQAZPJKSA-N 2 0 350.459 2.093 20 10 FECDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000904392565 691024440 /nfs/dbraw/zinc/02/44/40/691024440.db2.gz SYCJZVQGGOFYIP-AWEZNQCLSA-N 2 0 355.276 2.485 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000269285306 550176197 /nfs/dbraw/zinc/17/61/97/550176197.db2.gz HWNQTYIWYBHUTO-IAGOWNOFSA-N 2 0 362.493 2.101 20 10 FECDRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000272476008 550451572 /nfs/dbraw/zinc/45/15/72/550451572.db2.gz QXYIAILZJPUYDG-IBGZPJMESA-N 2 0 350.482 2.101 20 10 FECDRP COc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000368052600 556204965 /nfs/dbraw/zinc/20/49/65/556204965.db2.gz XDTNIBQLCILOIF-QGZVFWFLSA-N 2 0 363.502 2.010 20 10 FECDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335586 557150881 /nfs/dbraw/zinc/15/08/81/557150881.db2.gz KWUHOICOUKARSO-JOCHJYFZSA-N 2 0 372.557 2.124 20 10 FECDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825108747 675637036 /nfs/dbraw/zinc/63/70/36/675637036.db2.gz ZMFSLAYENFOBOB-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1O ZINC000825916009 675674027 /nfs/dbraw/zinc/67/40/27/675674027.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 2 0 356.308 2.224 20 10 FECDRP COc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000846160581 681192161 /nfs/dbraw/zinc/19/21/61/681192161.db2.gz RIZUQHLDOXZMGP-HOCLYGCPSA-N 2 0 351.491 2.144 20 10 FECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000854231219 682526829 /nfs/dbraw/zinc/52/68/29/682526829.db2.gz CPMBRFZPZXQVNY-SECBINFHSA-N 2 0 367.247 2.268 20 10 FECDRP CN1CC[NH+](CCCC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858096780 682933902 /nfs/dbraw/zinc/93/39/02/682933902.db2.gz OLPQBEDHEGIQOH-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc2)CC1 ZINC000883366989 687615607 /nfs/dbraw/zinc/61/56/07/687615607.db2.gz FNFSZLIGVUXDTG-AWEZNQCLSA-N 2 0 367.362 2.087 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)COCCOC)cc2F)CC1 ZINC000892905972 689262603 /nfs/dbraw/zinc/26/26/03/689262603.db2.gz QISSNUXSNIWODT-MRXNPFEDSA-N 2 0 353.482 2.109 20 10 FECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856861 551439086 /nfs/dbraw/zinc/43/90/86/551439086.db2.gz BKLFDHIMTVFHAJ-MRXNPFEDSA-N 2 0 374.508 2.473 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362202 557160949 /nfs/dbraw/zinc/16/09/49/557160949.db2.gz YBGXVTLYARSPQR-ZMSDIMECSA-N 2 0 350.459 2.093 20 10 FECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000756857483 680502075 /nfs/dbraw/zinc/50/20/75/680502075.db2.gz KBQVGZCXUKRNGE-PBHICJAKSA-N 2 0 351.491 2.144 20 10 FECDRP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)ccc1O ZINC000854231194 682526807 /nfs/dbraw/zinc/52/68/07/682526807.db2.gz BUFMYJORBGPYMG-LBPRGKRZSA-N 2 0 367.247 2.350 20 10 FECDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(O)cccc3Br)C2)CC1 ZINC000858135306 682937126 /nfs/dbraw/zinc/93/71/26/682937126.db2.gz QYPIHRMJAKJMSC-ZDUSSCGKSA-N 2 0 368.319 2.413 20 10 FECDRP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925816602 683040492 /nfs/dbraw/zinc/04/04/92/683040492.db2.gz ZQNHOFFWZKLBHA-HNNXBMFYSA-N 2 0 366.937 2.250 20 10 FECDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146823 689156475 /nfs/dbraw/zinc/15/64/75/689156475.db2.gz YVXWWCQXFJQZJY-INIZCTEOSA-N 2 0 352.475 2.342 20 10 FECDRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426198 /nfs/dbraw/zinc/42/61/98/546426198.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 0 360.546 2.375 20 10 FECDRP C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000185363767 547975819 /nfs/dbraw/zinc/97/58/19/547975819.db2.gz SWUMTGPEZXIUPE-CHWSQXEVSA-N 2 0 356.308 2.441 20 10 FECDRP COc1cc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362199 557161117 /nfs/dbraw/zinc/16/11/17/557161117.db2.gz YBGXVTLYARSPQR-BFYDXBDKSA-N 2 0 350.459 2.093 20 10 FECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1O ZINC000530238402 562403393 /nfs/dbraw/zinc/40/33/93/562403393.db2.gz NIRPHOMPWWPUSM-KRWDZBQOSA-N 2 0 350.434 2.324 20 10 FECDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825114966 675637470 /nfs/dbraw/zinc/63/74/70/675637470.db2.gz XLBAGQWWPFXGFN-ZDUSSCGKSA-N 2 0 356.308 2.270 20 10 FECDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825421814 675652306 /nfs/dbraw/zinc/65/23/06/675652306.db2.gz HECNDYUTNMZSTG-UHFFFAOYSA-N 2 0 356.308 2.272 20 10 FECDRP CCN(CC)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070796 680861850 /nfs/dbraw/zinc/86/18/50/680861850.db2.gz TXMWBWMJANKSGX-KRWDZBQOSA-N 2 0 358.452 2.459 20 10 FECDRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766124199 680867960 /nfs/dbraw/zinc/86/79/60/680867960.db2.gz VFQGEHUTCFPGEZ-HNNXBMFYSA-N 2 0 367.921 2.284 20 10 FECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3cn4c(n3)SCC4)cc2)CC1 ZINC000767189596 680902171 /nfs/dbraw/zinc/90/21/71/680902171.db2.gz QPHRYHBZKKEYTA-UHFFFAOYSA-N 2 0 357.527 2.073 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057554 680985007 /nfs/dbraw/zinc/98/50/07/680985007.db2.gz JYYILFANXVILJD-WBMJQRKESA-N 2 0 369.868 2.265 20 10 FECDRP COc1cc(Cl)cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000877669289 686433494 /nfs/dbraw/zinc/43/34/94/686433494.db2.gz BTSQLAXRPZMUNM-HUUCEWRRSA-N 2 0 355.910 2.225 20 10 FECDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146824 689156578 /nfs/dbraw/zinc/15/65/78/689156578.db2.gz YVXWWCQXFJQZJY-MRXNPFEDSA-N 2 0 352.475 2.342 20 10 FECDRP COc1ccc(N2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192716590 548371181 /nfs/dbraw/zinc/37/11/81/548371181.db2.gz AMBKLIZBJIXKEU-UHFFFAOYSA-N 2 0 360.546 2.233 20 10 FECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846479 673051180 /nfs/dbraw/zinc/05/11/80/673051180.db2.gz ZFLKVPNWVFWZLP-CJNGLKHVSA-N 2 0 351.878 2.126 20 10 FECDRP COc1cc(Br)cc([C@H](C)[NH2+]CCOCC[NH+](C)C)c1O ZINC000848546787 681575786 /nfs/dbraw/zinc/57/57/86/681575786.db2.gz FKMHJNNCWPNERN-NSHDSACASA-N 2 0 361.280 2.392 20 10 FECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837182 689778289 /nfs/dbraw/zinc/77/82/89/689778289.db2.gz RZYJTBXWXVIVLF-KRWDZBQOSA-N 2 0 357.420 2.185 20 10 FECDRP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158708121 545887758 /nfs/dbraw/zinc/88/77/58/545887758.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 0 358.530 2.127 20 10 FECDRP COc1cc(Br)cc(CN(CC[NH+](C)C)CC[NH+](C)C)c1O ZINC000809740873 674507971 /nfs/dbraw/zinc/50/79/71/674507971.db2.gz DRTKUOOZOXMNBU-UHFFFAOYSA-N 2 0 374.323 2.089 20 10 FECDRP C[C@@H](C[NH2+]Cc1c(O)cccc1Br)CN1CC[NH+](C)CC1 ZINC000858126072 682936415 /nfs/dbraw/zinc/93/64/15/682936415.db2.gz RIDFGHANBXKGPQ-ZDUSSCGKSA-N 2 0 356.308 2.128 20 10 FECDRP COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC1CC[NH+](C)CC1 ZINC000872632299 684992841 /nfs/dbraw/zinc/99/28/41/684992841.db2.gz YYVKWMHJWNZFNK-UHFFFAOYSA-N 2 0 352.475 2.200 20 10 FECDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Br)ccc1O)CC2 ZINC000904392566 691024508 /nfs/dbraw/zinc/02/45/08/691024508.db2.gz SYCJZVQGGOFYIP-CQSZACIVSA-N 2 0 355.276 2.485 20 10 FECDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123441305 543761975 /nfs/dbraw/zinc/76/19/75/543761975.db2.gz UYWCZIJEILHQCQ-UHFFFAOYSA-N 2 0 360.546 2.423 20 10 FECDRP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000185362842 547975236 /nfs/dbraw/zinc/97/52/36/547975236.db2.gz SWUMTGPEZXIUPE-STQMWFEESA-N 2 0 356.308 2.441 20 10 FECDRP CC[NH+]1CCN(c2ccc(CNCc3nccnc3OC)cc2F)CC1 ZINC000295184107 552967425 /nfs/dbraw/zinc/96/74/25/552967425.db2.gz NDJVAGXEONJKAU-UHFFFAOYSA-N 2 0 359.449 2.056 20 10 FECDRP Cc1cc(Br)c(O)c(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000809741107 674508041 /nfs/dbraw/zinc/50/80/41/674508041.db2.gz IYEMWQZKENNFGW-UHFFFAOYSA-N 2 0 358.324 2.388 20 10 FECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000756857488 680501994 /nfs/dbraw/zinc/50/19/94/680501994.db2.gz KBQVGZCXUKRNGE-YOEHRIQHSA-N 2 0 351.491 2.144 20 10 FECDRP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)ccc1O ZINC000854231193 682526841 /nfs/dbraw/zinc/52/68/41/682526841.db2.gz BUFMYJORBGPYMG-GFCCVEGCSA-N 2 0 367.247 2.350 20 10 FECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315700 684261921 /nfs/dbraw/zinc/26/19/21/684261921.db2.gz YEMOATBOOSECJM-AWEZNQCLSA-N 2 0 355.276 2.355 20 10 FECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2)CC1 ZINC000903983061 690992104 /nfs/dbraw/zinc/99/21/04/690992104.db2.gz BFBHRRDJRGFNFY-SJORKVTESA-N 2 0 356.436 2.150 20 10 FECDRP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158708277 545887714 /nfs/dbraw/zinc/88/77/14/545887714.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 0 358.530 2.127 20 10 FECDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280972994 551050688 /nfs/dbraw/zinc/05/06/88/551050688.db2.gz TYBJILSFEVMWDG-CQSZACIVSA-N 2 0 358.452 2.497 20 10 FECDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817937243 675187506 /nfs/dbraw/zinc/18/75/06/675187506.db2.gz VYMDLCYUJUQWHR-MRXNPFEDSA-N 2 0 366.937 2.123 20 10 FECDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000774378185 681182126 /nfs/dbraw/zinc/18/21/26/681182126.db2.gz XPLSPLLTNAHVFZ-OAHLLOKOSA-N 2 0 355.910 2.405 20 10 FECDRP