smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164448995 718998360 /nfs/dbraw/zinc/99/83/60/718998360.db2.gz KZXJQBHKHAKPGY-ZYSHUDEJSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164448995 718998372 /nfs/dbraw/zinc/99/83/72/718998372.db2.gz KZXJQBHKHAKPGY-ZYSHUDEJSA-N 2 1 401.555 1.821 20 0 HDADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164617460 719014206 /nfs/dbraw/zinc/01/42/06/719014206.db2.gz OIKTYNNNNJFQSG-YYWHXJBOSA-N 2 1 407.518 1.765 20 0 HDADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164617460 719014209 /nfs/dbraw/zinc/01/42/09/719014209.db2.gz OIKTYNNNNJFQSG-YYWHXJBOSA-N 2 1 407.518 1.765 20 0 HDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746645 720840439 /nfs/dbraw/zinc/84/04/39/720840439.db2.gz PUHXZKMGPQZBQG-QHAWAJNXSA-N 2 1 423.565 1.889 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164862879 720885381 /nfs/dbraw/zinc/88/53/81/720885381.db2.gz RRWXTGSOTMFDMF-MOPGFXCFSA-N 2 1 405.543 1.029 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865724 721113586 /nfs/dbraw/zinc/11/35/86/721113586.db2.gz OVMRUPYADWKQLL-VQTJNVASSA-N 2 1 409.538 1.279 20 0 HDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164881151 721172643 /nfs/dbraw/zinc/17/26/43/721172643.db2.gz ZHFRQDOXYNOHPX-RTWAWAEBSA-N 2 1 424.549 1.730 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164783608 721453384 /nfs/dbraw/zinc/45/33/84/721453384.db2.gz CKCLEXUFKLDPBE-FQEVSTJZSA-N 2 1 415.582 1.856 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904680 721544315 /nfs/dbraw/zinc/54/43/15/721544315.db2.gz FZFJUAFDAJMPOQ-AZUAARDMSA-N 2 1 412.513 1.885 20 0 HDADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000673658714 1073606093 /nfs/dbraw/zinc/60/60/93/1073606093.db2.gz UMJFNBNPEOXQRZ-UHFFFAOYSA-N 2 1 415.582 1.956 20 0 HDADMP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670113 1073624744 /nfs/dbraw/zinc/62/47/44/1073624744.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 2 1 414.598 1.221 20 0 HDADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778013 1073734213 /nfs/dbraw/zinc/73/42/13/1073734213.db2.gz SAEAULNVCGXVAR-UXHICEINSA-N 2 1 423.989 1.648 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000673870288 1073835501 /nfs/dbraw/zinc/83/55/01/1073835501.db2.gz LFRRQSKHIFPSAT-KRWDZBQOSA-N 2 1 405.572 1.616 20 0 HDADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522642 1073993187 /nfs/dbraw/zinc/99/31/87/1073993187.db2.gz OYGQAZYNACUGGG-RBUKOAKNSA-N 2 1 407.603 1.740 20 0 HDADMP CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543523528 1073993627 /nfs/dbraw/zinc/99/36/27/1073993627.db2.gz GGLVTFAJHXSWRG-UHFFFAOYSA-N 2 1 415.582 1.676 20 0 HDADMP Cc1cc(N2CCC(NC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)nc(C)[nH+]1 ZINC000674189281 1074203896 /nfs/dbraw/zinc/20/38/96/1074203896.db2.gz KDIYNPKTIVMGPO-FQEVSTJZSA-N 2 1 415.586 1.484 20 0 HDADMP Cc1cc(N2CCC(NC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)nc(C)[nH+]1 ZINC000674189281 1074203903 /nfs/dbraw/zinc/20/39/03/1074203903.db2.gz KDIYNPKTIVMGPO-FQEVSTJZSA-N 2 1 415.586 1.484 20 0 HDADMP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674328087 1074276901 /nfs/dbraw/zinc/27/69/01/1074276901.db2.gz HBUYOHHBARTUIY-LJQANCHMSA-N 2 1 403.571 1.607 20 0 HDADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1Cc2ccccc2C1 ZINC000674341033 1074284882 /nfs/dbraw/zinc/28/48/82/1074284882.db2.gz QLHZANHNGKJALO-UHFFFAOYSA-N 2 1 400.548 1.681 20 0 HDADMP COCC[NH+]1CCC(NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000140587996 1074298144 /nfs/dbraw/zinc/29/81/44/1074298144.db2.gz YPQMFYDEDICYCK-LJQANCHMSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000140587996 1074298150 /nfs/dbraw/zinc/29/81/50/1074298150.db2.gz YPQMFYDEDICYCK-LJQANCHMSA-N 2 1 403.527 1.369 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000477081847 1074788886 /nfs/dbraw/zinc/78/88/86/1074788886.db2.gz NEUWXFFPOFJKJF-JBACZVJFSA-N 2 1 423.646 1.629 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000509328043 1075109276 /nfs/dbraw/zinc/10/92/76/1075109276.db2.gz OGUMUAMLQQZSLS-UHFFFAOYSA-N 2 1 415.582 1.630 20 0 HDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cn2)CC1 ZINC000675552498 1075207365 /nfs/dbraw/zinc/20/73/65/1075207365.db2.gz GEDNCYHAJIVBKQ-ROUUACIJSA-N 2 1 409.456 1.853 20 0 HDADMP C[C@H](c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000675608391 1075224351 /nfs/dbraw/zinc/22/43/51/1075224351.db2.gz YCZHEPVCHIVEIJ-MRXNPFEDSA-N 2 1 414.510 1.415 20 0 HDADMP CC(C)C[C@H](CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000543641676 1075252311 /nfs/dbraw/zinc/25/23/11/1075252311.db2.gz KNIBZTQORYFAHZ-OAQYLSRUSA-N 2 1 423.646 1.792 20 0 HDADMP Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000676093473 1075354336 /nfs/dbraw/zinc/35/43/36/1075354336.db2.gz JUNGTHXQDHJXKJ-KRWDZBQOSA-N 2 1 402.499 1.238 20 0 HDADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097072 1075360767 /nfs/dbraw/zinc/36/07/67/1075360767.db2.gz TYGVFVNADSFAGP-ZWKOTPCHSA-N 2 1 404.559 1.496 20 0 HDADMP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676097153 1075361946 /nfs/dbraw/zinc/36/19/46/1075361946.db2.gz IYFWMJCGRDRPFK-SFHVURJKSA-N 2 1 412.538 1.506 20 0 HDADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099860 1075364151 /nfs/dbraw/zinc/36/41/51/1075364151.db2.gz IHDGLVKENBTENB-GOSISDBHSA-N 2 1 418.586 1.886 20 0 HDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)CC2)C1 ZINC000676167891 1075416725 /nfs/dbraw/zinc/41/67/25/1075416725.db2.gz LPTRVDCULXGPFL-HBMCJLEFSA-N 2 1 407.603 1.176 20 0 HDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676190908 1075420608 /nfs/dbraw/zinc/42/06/08/1075420608.db2.gz CDLOFGRMFGSLIX-XPNTWCBSSA-N 2 1 401.551 1.508 20 0 HDADMP C[NH+](C)C1CCN(c2ccc(NCc3cnc(N4CC[NH+](C)CC4)nc3)nc2)CC1 ZINC000676201766 1075435012 /nfs/dbraw/zinc/43/50/12/1075435012.db2.gz KQFAUSIKBHBUSF-UHFFFAOYSA-N 2 1 410.570 1.766 20 0 HDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243381 1075445889 /nfs/dbraw/zinc/44/58/89/1075445889.db2.gz LQNQVIXIXMUXOF-CTNGQTDRSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243381 1075445893 /nfs/dbraw/zinc/44/58/93/1075445893.db2.gz LQNQVIXIXMUXOF-CTNGQTDRSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676249652 1075467301 /nfs/dbraw/zinc/46/73/01/1075467301.db2.gz RDWXMPAKHCMKPO-GHTZIAJQSA-N 2 1 419.570 1.178 20 0 HDADMP C[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676249652 1075467304 /nfs/dbraw/zinc/46/73/04/1075467304.db2.gz RDWXMPAKHCMKPO-GHTZIAJQSA-N 2 1 419.570 1.178 20 0 HDADMP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000543670774 1075515800 /nfs/dbraw/zinc/51/58/00/1075515800.db2.gz RNWAHRYGPRSVRA-RTWAWAEBSA-N 2 1 421.630 1.689 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000599882062 1075618455 /nfs/dbraw/zinc/61/84/55/1075618455.db2.gz IWDCKVZZAMRYSZ-UHFFFAOYSA-N 2 1 402.499 1.220 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307098 1075694663 /nfs/dbraw/zinc/69/46/63/1075694663.db2.gz CFRLSFQULZZTFA-UYAOXDASSA-N 2 1 416.566 1.923 20 0 HDADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427273255 1075809625 /nfs/dbraw/zinc/80/96/25/1075809625.db2.gz FNLCOKRXDPVEFS-FXAWDEMLSA-N 2 1 424.549 1.725 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128544 1075979253 /nfs/dbraw/zinc/97/92/53/1075979253.db2.gz VMACKEXAJPQBGW-RTBURBONSA-N 2 1 413.566 1.710 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000495127393 1076005869 /nfs/dbraw/zinc/00/58/69/1076005869.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495127393 1076005874 /nfs/dbraw/zinc/00/58/74/1076005874.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495127393 1076005878 /nfs/dbraw/zinc/00/58/78/1076005878.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 2 1 413.566 1.195 20 0 HDADMP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000730259672 1076501763 /nfs/dbraw/zinc/50/17/63/1076501763.db2.gz UJKDFFVEJJPRTM-OAHLLOKOSA-N 2 1 423.558 1.585 20 0 HDADMP C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803538 1076655017 /nfs/dbraw/zinc/65/50/17/1076655017.db2.gz JZHKACOUPXXKNM-DENIHFKCSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803538 1076655024 /nfs/dbraw/zinc/65/50/24/1076655024.db2.gz JZHKACOUPXXKNM-DENIHFKCSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803538 1076655031 /nfs/dbraw/zinc/65/50/31/1076655031.db2.gz JZHKACOUPXXKNM-DENIHFKCSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000730803538 1076655038 /nfs/dbraw/zinc/65/50/38/1076655038.db2.gz JZHKACOUPXXKNM-DENIHFKCSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730918055 1076691560 /nfs/dbraw/zinc/69/15/60/1076691560.db2.gz CEVWAIDIUHAGLL-OAQYLSRUSA-N 2 1 413.566 1.854 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1C[NH2+]CC3)CCC2 ZINC001164813403 720208558 /nfs/dbraw/zinc/20/85/58/720208558.db2.gz PIHNZUQYGVYRAR-UHFFFAOYSA-N 2 1 417.945 1.583 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834981 720552906 /nfs/dbraw/zinc/55/29/06/720552906.db2.gz GGAPEHBIPKEAJO-SLFFLAALSA-N 2 1 410.570 1.461 20 0 HDADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749293 720801113 /nfs/dbraw/zinc/80/11/13/720801113.db2.gz TVHHVZBLXFHARB-PXNSSMCTSA-N 2 1 410.522 1.687 20 0 HDADMP CCc1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853604 720865681 /nfs/dbraw/zinc/86/56/81/720865681.db2.gz HVICTRNQPZAMRN-HKUYNNGSSA-N 2 1 405.543 1.049 20 0 HDADMP CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853604 720865683 /nfs/dbraw/zinc/86/56/83/720865683.db2.gz HVICTRNQPZAMRN-HKUYNNGSSA-N 2 1 405.543 1.049 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863324 721111690 /nfs/dbraw/zinc/11/16/90/721111690.db2.gz BVENSSUALDXAHV-NHCUHLMSSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863324 721111697 /nfs/dbraw/zinc/11/16/97/721111697.db2.gz BVENSSUALDXAHV-NHCUHLMSSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863325 721113525 /nfs/dbraw/zinc/11/35/25/721113525.db2.gz BVENSSUALDXAHV-RTWAWAEBSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863325 721113531 /nfs/dbraw/zinc/11/35/31/721113531.db2.gz BVENSSUALDXAHV-RTWAWAEBSA-N 2 1 424.549 1.750 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865725 721114137 /nfs/dbraw/zinc/11/41/37/721114137.db2.gz OVMRUPYADWKQLL-WOJBJXKFSA-N 2 1 409.538 1.279 20 0 HDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762834 721228361 /nfs/dbraw/zinc/22/83/61/721228361.db2.gz LLCATDZFSUATQK-PMACEKPBSA-N 2 1 411.554 1.547 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164788603 721459609 /nfs/dbraw/zinc/45/96/09/721459609.db2.gz UROALDVSLSABSK-IBGZPJMESA-N 2 1 401.555 1.814 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164899655 721513530 /nfs/dbraw/zinc/51/35/30/721513530.db2.gz LMCPBFMXANOGRX-AZUAARDMSA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905401 721560613 /nfs/dbraw/zinc/56/06/13/721560613.db2.gz HGBFHVQMZIEMAK-AZUAARDMSA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905401 721560618 /nfs/dbraw/zinc/56/06/18/721560618.db2.gz HGBFHVQMZIEMAK-AZUAARDMSA-N 2 1 412.513 1.709 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164800354 721569463 /nfs/dbraw/zinc/56/94/63/721569463.db2.gz FCUZZHMQENITQL-XPNTWCBSSA-N 2 1 408.550 1.754 20 0 HDADMP Cc1ccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959041 722025505 /nfs/dbraw/zinc/02/55/05/722025505.db2.gz HOJXUYZMSGOYSA-PGRDOPGGSA-N 2 1 424.553 1.376 20 0 HDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429045248 1073460750 /nfs/dbraw/zinc/46/07/50/1073460750.db2.gz SMLRVVONRUBQRY-SFTDATJTSA-N 2 1 418.607 1.968 20 0 HDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429045248 1073460755 /nfs/dbraw/zinc/46/07/55/1073460755.db2.gz SMLRVVONRUBQRY-SFTDATJTSA-N 2 1 418.607 1.968 20 0 HDADMP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000673774150 1073707665 /nfs/dbraw/zinc/70/76/65/1073707665.db2.gz SEMYARJJPAXGLY-LJQANCHMSA-N 2 1 415.582 1.845 20 0 HDADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000673774150 1073707681 /nfs/dbraw/zinc/70/76/81/1073707681.db2.gz SEMYARJJPAXGLY-LJQANCHMSA-N 2 1 415.582 1.845 20 0 HDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182778 1073981880 /nfs/dbraw/zinc/98/18/80/1073981880.db2.gz NHDNVHCEWWBNIY-BGYRXZFFSA-N 2 1 423.646 1.933 20 0 HDADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182778 1073981882 /nfs/dbraw/zinc/98/18/82/1073981882.db2.gz NHDNVHCEWWBNIY-BGYRXZFFSA-N 2 1 423.646 1.933 20 0 HDADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182778 1073981887 /nfs/dbraw/zinc/98/18/87/1073981887.db2.gz NHDNVHCEWWBNIY-BGYRXZFFSA-N 2 1 423.646 1.933 20 0 HDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000674039442 1074112321 /nfs/dbraw/zinc/11/23/21/1074112321.db2.gz RDVWUHFDTOYWOJ-IBGZPJMESA-N 2 1 402.539 1.708 20 0 HDADMP C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000429234650 1074451986 /nfs/dbraw/zinc/45/19/86/1074451986.db2.gz ZFXJTVSJGJZQHV-DYESRHJHSA-N 2 1 409.530 1.986 20 0 HDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000675175658 1074748955 /nfs/dbraw/zinc/74/89/55/1074748955.db2.gz MZNRTGZDKQKPLT-FQEVSTJZSA-N 2 1 401.555 1.748 20 0 HDADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000670510721 1075094615 /nfs/dbraw/zinc/09/46/15/1075094615.db2.gz NSHSUQITIDKOEG-UHFFFAOYSA-N 2 1 422.614 1.597 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670527142 1075151496 /nfs/dbraw/zinc/15/14/96/1075151496.db2.gz GYQNTBOOZVRYCY-IBGZPJMESA-N 2 1 406.571 1.225 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000675532355 1075192532 /nfs/dbraw/zinc/19/25/32/1075192532.db2.gz FYPGHAIYTIPAAC-UHFFFAOYSA-N 2 1 405.543 1.645 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000676025570 1075328326 /nfs/dbraw/zinc/32/83/26/1075328326.db2.gz QDMIYTNGVGYOGS-UHFFFAOYSA-N 2 1 423.989 1.872 20 0 HDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047879 1075340118 /nfs/dbraw/zinc/34/01/18/1075340118.db2.gz VPLDKZHSBQFUSD-TYPHKJRUSA-N 2 1 407.603 1.222 20 0 HDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047879 1075340126 /nfs/dbraw/zinc/34/01/26/1075340126.db2.gz VPLDKZHSBQFUSD-TYPHKJRUSA-N 2 1 407.603 1.222 20 0 HDADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096115 1075360055 /nfs/dbraw/zinc/36/00/55/1075360055.db2.gz GGLORVAABDAERO-HXUWFJFHSA-N 2 1 404.474 1.987 20 0 HDADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090430 1075374576 /nfs/dbraw/zinc/37/45/76/1075374576.db2.gz XYRBSJDKWQRNDV-UHFFFAOYSA-N 2 1 404.474 1.770 20 0 HDADMP O=C(N1CC[C@H](OCC[NH+]2CCCCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676186144 1075425244 /nfs/dbraw/zinc/42/52/44/1075425244.db2.gz GJSKWTUSDJOAGX-JTHBVZDNSA-N 2 1 401.551 1.727 20 0 HDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456662 1075624569 /nfs/dbraw/zinc/62/45/69/1075624569.db2.gz RVQWSFNUVKPPDZ-QZTJIDSGSA-N 2 1 415.582 1.737 20 0 HDADMP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000732204394 1075676181 /nfs/dbraw/zinc/67/61/81/1075676181.db2.gz VDUOSQKZZXFZHN-FQEVSTJZSA-N 2 1 405.539 1.613 20 0 HDADMP Nc1nc(-n2cccn2)cc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000553336047 1075749388 /nfs/dbraw/zinc/74/93/88/1075749388.db2.gz FQYIWVPCAAJFCJ-LJQANCHMSA-N 2 1 404.522 1.641 20 0 HDADMP Nc1nc(-n2cccn2)cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000553336047 1075749393 /nfs/dbraw/zinc/74/93/93/1075749393.db2.gz FQYIWVPCAAJFCJ-LJQANCHMSA-N 2 1 404.522 1.641 20 0 HDADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427588980 1075824376 /nfs/dbraw/zinc/82/43/76/1075824376.db2.gz VTRUYWSDRZLYTD-GOSISDBHSA-N 2 1 404.559 1.715 20 0 HDADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O ZINC000733329325 1076045425 /nfs/dbraw/zinc/04/54/25/1076045425.db2.gz QFEZZLKFVDRGRF-INIZCTEOSA-N 2 1 411.930 1.946 20 0 HDADMP CC(C)[N@H+]1CCCN(CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268064 /nfs/dbraw/zinc/26/80/64/1076268064.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 2 1 413.566 1.947 20 0 HDADMP CC(C)[NH+]1CCCN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268071 /nfs/dbraw/zinc/26/80/71/1076268071.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 2 1 413.566 1.947 20 0 HDADMP CC(C)[NH+]1CCCN(CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268077 /nfs/dbraw/zinc/26/80/77/1076268077.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 2 1 413.566 1.947 20 0 HDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000731214673 1076748746 /nfs/dbraw/zinc/74/87/46/1076748746.db2.gz NGNJYWLUYSERKG-UHFFFAOYSA-N 2 1 402.539 1.317 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683191 719622574 /nfs/dbraw/zinc/62/25/74/719622574.db2.gz RJMSOMZBJYOQJY-INIZCTEOSA-N 2 1 410.526 1.093 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683191 719622580 /nfs/dbraw/zinc/62/25/80/719622580.db2.gz RJMSOMZBJYOQJY-INIZCTEOSA-N 2 1 410.526 1.093 20 0 HDADMP CCc1cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164685573 719728431 /nfs/dbraw/zinc/72/84/31/719728431.db2.gz MJVAKGMDDSMKKH-UHFFFAOYSA-N 2 1 402.543 1.056 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811778 720144914 /nfs/dbraw/zinc/14/49/14/720144914.db2.gz NGWQXACBCMJFLG-PGRDOPGGSA-N 2 1 400.571 1.589 20 0 HDADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735404 720425755 /nfs/dbraw/zinc/42/57/55/720425755.db2.gz XAAUZBKOTRNRGA-WOJBJXKFSA-N 2 1 407.522 1.165 20 0 HDADMP c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735404 720425767 /nfs/dbraw/zinc/42/57/67/720425767.db2.gz XAAUZBKOTRNRGA-WOJBJXKFSA-N 2 1 407.522 1.165 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840682 720512021 /nfs/dbraw/zinc/51/20/21/720512021.db2.gz XFLPOIGKUJIUBX-QHAWAJNXSA-N 2 1 424.597 1.803 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840680 720512263 /nfs/dbraw/zinc/51/22/63/720512263.db2.gz XFLPOIGKUJIUBX-PCCBWWKXSA-N 2 1 424.597 1.803 20 0 HDADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749296 720800634 /nfs/dbraw/zinc/80/06/34/720800634.db2.gz TVHHVZBLXFHARB-YLJYHZDGSA-N 2 1 410.522 1.687 20 0 HDADMP c1ncn(C[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746641 720840185 /nfs/dbraw/zinc/84/01/85/720840185.db2.gz PUHXZKMGPQZBQG-PWRODBHTSA-N 2 1 423.565 1.889 20 0 HDADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746033 720861975 /nfs/dbraw/zinc/86/19/75/720861975.db2.gz FJCBOTRIUUUONJ-MISYRCLQSA-N 2 1 408.554 1.443 20 0 HDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164881148 721172720 /nfs/dbraw/zinc/17/27/20/721172720.db2.gz ZHFRQDOXYNOHPX-LEWJYISDSA-N 2 1 424.549 1.730 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]C4)C2)C1 ZINC001164778675 721340909 /nfs/dbraw/zinc/34/09/09/721340909.db2.gz NPZVTJXCXVTJEB-QFIPXVFZSA-N 2 1 412.538 1.846 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3CC[NH2+]C4)C2)C1 ZINC001164778675 721340915 /nfs/dbraw/zinc/34/09/15/721340915.db2.gz NPZVTJXCXVTJEB-QFIPXVFZSA-N 2 1 412.538 1.846 20 0 HDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429045244 1073460841 /nfs/dbraw/zinc/46/08/41/1073460841.db2.gz SMLRVVONRUBQRY-NHCUHLMSSA-N 2 1 418.607 1.968 20 0 HDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429045244 1073460844 /nfs/dbraw/zinc/46/08/44/1073460844.db2.gz SMLRVVONRUBQRY-NHCUHLMSSA-N 2 1 418.607 1.968 20 0 HDADMP CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665398 1073618038 /nfs/dbraw/zinc/61/80/38/1073618038.db2.gz KCDWRRMLVFVNLR-OAQYLSRUSA-N 2 1 413.566 1.449 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)CC2)c1 ZINC000673673715 1073630142 /nfs/dbraw/zinc/63/01/42/1073630142.db2.gz UVBRAPOLMAOWMN-QHCPKHFHSA-N 2 1 413.610 1.746 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772314 /nfs/dbraw/zinc/77/23/14/1073772314.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772320 /nfs/dbraw/zinc/77/23/20/1073772320.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772327 /nfs/dbraw/zinc/77/23/27/1073772327.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772334 /nfs/dbraw/zinc/77/23/34/1073772334.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 2 1 402.514 1.731 20 0 HDADMP COC1CC[NH+](CCNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000674329919 1074279025 /nfs/dbraw/zinc/27/90/25/1074279025.db2.gz UTOJMRWPCWMGOE-GOSISDBHSA-N 2 1 404.559 1.002 20 0 HDADMP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674329798 1074279472 /nfs/dbraw/zinc/27/94/72/1074279472.db2.gz OEYPZARUJTUWSE-IBGZPJMESA-N 2 1 403.571 1.607 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000477070241 1074779386 /nfs/dbraw/zinc/77/93/86/1074779386.db2.gz RVOZEKWDANSUIO-RBUKOAKNSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000477074764 1074779561 /nfs/dbraw/zinc/77/95/61/1074779561.db2.gz YDIZIGIDWPIJEG-RTBURBONSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000477074755 1074779612 /nfs/dbraw/zinc/77/96/12/1074779612.db2.gz YDIZIGIDWPIJEG-MOPGFXCFSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000477081849 1074789006 /nfs/dbraw/zinc/78/90/06/1074789006.db2.gz NEUWXFFPOFJKJF-SESVDKBCSA-N 2 1 423.646 1.629 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000429337003 1075104127 /nfs/dbraw/zinc/10/41/27/1075104127.db2.gz SDZAGBFZAYIFLE-KRWDZBQOSA-N 2 1 402.543 1.799 20 0 HDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000429349556 1075162759 /nfs/dbraw/zinc/16/27/59/1075162759.db2.gz NJBODGPAXZOQOJ-KRWDZBQOSA-N 2 1 405.543 1.367 20 0 HDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000429349556 1075162762 /nfs/dbraw/zinc/16/27/62/1075162762.db2.gz NJBODGPAXZOQOJ-KRWDZBQOSA-N 2 1 405.543 1.367 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214276 1075228309 /nfs/dbraw/zinc/22/83/09/1075228309.db2.gz XEXBCWQZTGQOJS-LJQANCHMSA-N 2 1 412.538 1.685 20 0 HDADMP O=S(=O)(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc2c1OCO2 ZINC000509364401 1075262716 /nfs/dbraw/zinc/26/27/16/1075262716.db2.gz JBEKOHBIIYYFGF-UHFFFAOYSA-N 2 1 404.492 1.301 20 0 HDADMP Cc1ccc(NCCCNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH+]c1 ZINC000548116944 1075302642 /nfs/dbraw/zinc/30/26/42/1075302642.db2.gz NZTWZAFETOHBSH-BGYRXZFFSA-N 2 1 402.587 2.392 20 0 HDADMP Cc1ccc(NCCCNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH+]c1 ZINC000548116944 1075302648 /nfs/dbraw/zinc/30/26/48/1075302648.db2.gz NZTWZAFETOHBSH-BGYRXZFFSA-N 2 1 402.587 2.392 20 0 HDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000676075732 1075343506 /nfs/dbraw/zinc/34/35/06/1075343506.db2.gz PFBLRQJAZQNPCM-FHWLQOOXSA-N 2 1 404.621 1.374 20 0 HDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000676075735 1075343813 /nfs/dbraw/zinc/34/38/13/1075343813.db2.gz PFBLRQJAZQNPCM-QYZOEREBSA-N 2 1 404.621 1.374 20 0 HDADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097071 1075360675 /nfs/dbraw/zinc/36/06/75/1075360675.db2.gz TYGVFVNADSFAGP-ROUUACIJSA-N 2 1 404.559 1.496 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243170 1075444913 /nfs/dbraw/zinc/44/49/13/1075444913.db2.gz JVKFDXUZKQNUCC-UNMCSNQZSA-N 2 1 417.598 1.916 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243170 1075444917 /nfs/dbraw/zinc/44/49/17/1075444917.db2.gz JVKFDXUZKQNUCC-UNMCSNQZSA-N 2 1 417.598 1.916 20 0 HDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243387 1075445833 /nfs/dbraw/zinc/44/58/33/1075445833.db2.gz LQNQVIXIXMUXOF-TZIWHRDSSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243387 1075445836 /nfs/dbraw/zinc/44/58/36/1075445836.db2.gz LQNQVIXIXMUXOF-TZIWHRDSSA-N 2 1 403.571 1.607 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000676279749 1075483362 /nfs/dbraw/zinc/48/33/62/1075483362.db2.gz PQLQVINIJYGXGK-QFBILLFUSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000676279749 1075483365 /nfs/dbraw/zinc/48/33/65/1075483365.db2.gz PQLQVINIJYGXGK-QFBILLFUSA-N 2 1 406.527 1.181 20 0 HDADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437377 1075558788 /nfs/dbraw/zinc/55/87/88/1075558788.db2.gz ZKIIKOOPNGFWQT-HKBOAZHASA-N 2 1 423.646 1.791 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000509417704 1075574417 /nfs/dbraw/zinc/57/44/17/1075574417.db2.gz QGLYZHMFLDTXAW-LJQANCHMSA-N 2 1 419.570 1.494 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000676740302 1075672139 /nfs/dbraw/zinc/67/21/39/1075672139.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000676740302 1075672151 /nfs/dbraw/zinc/67/21/51/1075672151.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676740302 1075672157 /nfs/dbraw/zinc/67/21/57/1075672157.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676740302 1075672165 /nfs/dbraw/zinc/67/21/65/1075672165.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 2 1 416.566 1.239 20 0 HDADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)CC1 ZINC000732203495 1075675695 /nfs/dbraw/zinc/67/56/95/1075675695.db2.gz BFAVHLVUAPAOPO-UHFFFAOYSA-N 2 1 421.567 1.052 20 0 HDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233218 1075685588 /nfs/dbraw/zinc/68/55/88/1075685588.db2.gz YGJBAFOFNJKUBI-RTBURBONSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233218 1075685590 /nfs/dbraw/zinc/68/55/90/1075685590.db2.gz YGJBAFOFNJKUBI-RTBURBONSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233218 1075685593 /nfs/dbraw/zinc/68/55/93/1075685593.db2.gz YGJBAFOFNJKUBI-RTBURBONSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233218 1075685597 /nfs/dbraw/zinc/68/55/97/1075685597.db2.gz YGJBAFOFNJKUBI-RTBURBONSA-N 2 1 403.527 1.369 20 0 HDADMP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000511719899 1075817444 /nfs/dbraw/zinc/81/74/44/1075817444.db2.gz BNNFVDOWVLGMEK-PXNSSMCTSA-N 2 1 424.549 1.868 20 0 HDADMP CCOCC[NH+]1CCN(CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000729995537 1076409772 /nfs/dbraw/zinc/40/97/72/1076409772.db2.gz XCUINPJCMXGVCL-UHFFFAOYSA-N 2 1 403.571 1.421 20 0 HDADMP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730949665 1076700060 /nfs/dbraw/zinc/70/00/60/1076700060.db2.gz DHMABBVXSBEPRB-IBGZPJMESA-N 2 1 419.639 1.936 20 0 HDADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000731214833 1076748776 /nfs/dbraw/zinc/74/87/76/1076748776.db2.gz SAJPQYWDECGJFB-UHFFFAOYSA-N 2 1 422.595 1.143 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811780 720143648 /nfs/dbraw/zinc/14/36/48/720143648.db2.gz NGWQXACBCMJFLG-XMSQKQJNSA-N 2 1 400.571 1.589 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164840678 720512189 /nfs/dbraw/zinc/51/21/89/720512189.db2.gz XFLPOIGKUJIUBX-HKBOAZHASA-N 2 1 424.597 1.803 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746941 720729745 /nfs/dbraw/zinc/72/97/45/720729745.db2.gz ZBVJRKZNRDLTLB-QZTJIDSGSA-N 2 1 411.510 1.008 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746941 720729757 /nfs/dbraw/zinc/72/97/57/720729757.db2.gz ZBVJRKZNRDLTLB-QZTJIDSGSA-N 2 1 411.510 1.008 20 0 HDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746633 720840606 /nfs/dbraw/zinc/84/06/06/720840606.db2.gz PUHXZKMGPQZBQG-NJDAHSKKSA-N 2 1 423.565 1.889 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863328 721113099 /nfs/dbraw/zinc/11/30/99/721113099.db2.gz BVENSSUALDXAHV-SFTDATJTSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863328 721113104 /nfs/dbraw/zinc/11/31/04/721113104.db2.gz BVENSSUALDXAHV-SFTDATJTSA-N 2 1 424.549 1.750 20 0 HDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164880280 721148704 /nfs/dbraw/zinc/14/87/04/721148704.db2.gz VQMOHOPTEHQVKD-UYAOXDASSA-N 2 1 410.522 1.482 20 0 HDADMP CCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762677 721165246 /nfs/dbraw/zinc/16/52/46/721165246.db2.gz DDIJPCANVWQKMH-OALUTQOASA-N 2 1 411.554 1.567 20 0 HDADMP CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762677 721165253 /nfs/dbraw/zinc/16/52/53/721165253.db2.gz DDIJPCANVWQKMH-OALUTQOASA-N 2 1 411.554 1.567 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879872 721167786 /nfs/dbraw/zinc/16/77/86/721167786.db2.gz UWKHPQNFOYOQCE-WOJBJXKFSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879872 721167801 /nfs/dbraw/zinc/16/78/01/721167801.db2.gz UWKHPQNFOYOQCE-WOJBJXKFSA-N 2 1 409.538 1.103 20 0 HDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762852 721229740 /nfs/dbraw/zinc/22/97/40/721229740.db2.gz LLCATDZFSUATQK-WOJBJXKFSA-N 2 1 411.554 1.547 20 0 HDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)C1 ZINC001164878539 721292723 /nfs/dbraw/zinc/29/27/23/721292723.db2.gz QYVDUUHUPRHFEF-UHFFFAOYSA-N 2 1 415.582 1.684 20 0 HDADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894412 721427281 /nfs/dbraw/zinc/42/72/81/721427281.db2.gz MKFQOSTUDJOQLS-FYYLOGMGSA-N 2 1 414.598 1.257 20 0 HDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051835 1073479648 /nfs/dbraw/zinc/47/96/48/1073479648.db2.gz IXCBYSHLGKNIDA-NRFANRHFSA-N 2 1 404.555 1.641 20 0 HDADMP CCOCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051835 1073479650 /nfs/dbraw/zinc/47/96/50/1073479650.db2.gz IXCBYSHLGKNIDA-NRFANRHFSA-N 2 1 404.555 1.641 20 0 HDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000625163444 1073530581 /nfs/dbraw/zinc/53/05/81/1073530581.db2.gz YINGATPYPUISBM-UHFFFAOYSA-N 2 1 421.509 1.126 20 0 HDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646814 1073532244 /nfs/dbraw/zinc/53/22/44/1073532244.db2.gz LAHFVJILWCAJHP-DEOSSOPVSA-N 2 1 422.529 1.650 20 0 HDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646814 1073532257 /nfs/dbraw/zinc/53/22/57/1073532257.db2.gz LAHFVJILWCAJHP-DEOSSOPVSA-N 2 1 422.529 1.650 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429105789 1073591366 /nfs/dbraw/zinc/59/13/66/1073591366.db2.gz VVLIBYUUVSVMGN-AZUAARDMSA-N 2 1 400.571 1.908 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429105789 1073591377 /nfs/dbraw/zinc/59/13/77/1073591377.db2.gz VVLIBYUUVSVMGN-AZUAARDMSA-N 2 1 400.571 1.908 20 0 HDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653573 /nfs/dbraw/zinc/65/35/73/1073653573.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653577 /nfs/dbraw/zinc/65/35/77/1073653577.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653581 /nfs/dbraw/zinc/65/35/81/1073653581.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 2 1 402.583 1.666 20 0 HDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492970 1073822335 /nfs/dbraw/zinc/82/23/35/1073822335.db2.gz DHFJBHHDAJMIET-OAQYLSRUSA-N 2 1 416.566 1.290 20 0 HDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC(=O)NCc3cccs3)CC2)CC1 ZINC000543521466 1073985903 /nfs/dbraw/zinc/98/59/03/1073985903.db2.gz MDJCLXQSDXYGNC-UHFFFAOYSA-N 2 1 407.584 1.423 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000674089365 1074179933 /nfs/dbraw/zinc/17/99/33/1074179933.db2.gz DTCBUGIXNZPZKA-PMACEKPBSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000674089365 1074179938 /nfs/dbraw/zinc/17/99/38/1074179938.db2.gz DTCBUGIXNZPZKA-PMACEKPBSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000674089365 1074179945 /nfs/dbraw/zinc/17/99/45/1074179945.db2.gz DTCBUGIXNZPZKA-PMACEKPBSA-N 2 1 404.599 1.994 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCN1C(=O)CCC1=O ZINC000674308569 1074267343 /nfs/dbraw/zinc/26/73/43/1074267343.db2.gz GKHVOBSGIHTKCI-UHFFFAOYSA-N 2 1 406.571 1.570 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000674327709 1074277500 /nfs/dbraw/zinc/27/75/00/1074277500.db2.gz MOSOTIGXQRUTJJ-GOSISDBHSA-N 2 1 404.555 1.817 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000674327709 1074277507 /nfs/dbraw/zinc/27/75/07/1074277507.db2.gz MOSOTIGXQRUTJJ-GOSISDBHSA-N 2 1 404.555 1.817 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710074 1074537139 /nfs/dbraw/zinc/53/71/39/1074537139.db2.gz WPRUHKRTRMWEMT-VQHPVUNQSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710074 1074537150 /nfs/dbraw/zinc/53/71/50/1074537150.db2.gz WPRUHKRTRMWEMT-VQHPVUNQSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710074 1074537162 /nfs/dbraw/zinc/53/71/62/1074537162.db2.gz WPRUHKRTRMWEMT-VQHPVUNQSA-N 2 1 411.550 1.792 20 0 HDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)cc(OC)c1 ZINC000674853360 1074592497 /nfs/dbraw/zinc/59/24/97/1074592497.db2.gz JXOCUPWUYBHHTH-KRWDZBQOSA-N 2 1 416.526 1.858 20 0 HDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)cc(OC)c1 ZINC000674853360 1074592507 /nfs/dbraw/zinc/59/25/07/1074592507.db2.gz JXOCUPWUYBHHTH-KRWDZBQOSA-N 2 1 416.526 1.858 20 0 HDADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000584795102 1074685369 /nfs/dbraw/zinc/68/53/69/1074685369.db2.gz WHJXAMMBEVUGLZ-UHFFFAOYSA-N 2 1 423.521 2.390 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000477026311 1074704447 /nfs/dbraw/zinc/70/44/47/1074704447.db2.gz GOOWUPFBSPASLC-SFHVURJKSA-N 2 1 404.555 1.576 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000477026311 1074704454 /nfs/dbraw/zinc/70/44/54/1074704454.db2.gz GOOWUPFBSPASLC-SFHVURJKSA-N 2 1 404.555 1.576 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091024 1074791273 /nfs/dbraw/zinc/79/12/73/1074791273.db2.gz AXTLRMIJQNYOGW-QRVBRYPASA-N 2 1 418.582 1.759 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000477112164 1074817790 /nfs/dbraw/zinc/81/77/90/1074817790.db2.gz ZSVRIOIPFPYFKN-ROUUACIJSA-N 2 1 404.555 1.370 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000477112164 1074817794 /nfs/dbraw/zinc/81/77/94/1074817794.db2.gz ZSVRIOIPFPYFKN-ROUUACIJSA-N 2 1 404.555 1.370 20 0 HDADMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675577137 1075209880 /nfs/dbraw/zinc/20/98/80/1075209880.db2.gz XDWVVQPGINOLOW-VXKWHMMOSA-N 2 1 415.582 1.309 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581679 1075212491 /nfs/dbraw/zinc/21/24/91/1075212491.db2.gz HHXROGWMOKOLAA-UXHICEINSA-N 2 1 407.603 1.835 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000675887411 1075289499 /nfs/dbraw/zinc/28/94/99/1075289499.db2.gz IDDLKCRFIGDOQS-HXUWFJFHSA-N 2 1 417.554 1.787 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1Cc1ccccc1 ZINC000676099072 1075365802 /nfs/dbraw/zinc/36/58/02/1075365802.db2.gz BQFBNACBWMZXLW-SJLPKXTDSA-N 2 1 404.474 1.985 20 0 HDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091743 1075375948 /nfs/dbraw/zinc/37/59/48/1075375948.db2.gz JYJTUWXIOSOEPK-UHFFFAOYSA-N 2 1 412.538 1.426 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278300 1075478678 /nfs/dbraw/zinc/47/86/78/1075478678.db2.gz HNHKKVIRLLAEDK-XLIONFOSSA-N 2 1 418.538 1.325 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278300 1075478681 /nfs/dbraw/zinc/47/86/81/1075478681.db2.gz HNHKKVIRLLAEDK-XLIONFOSSA-N 2 1 418.538 1.325 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307444 1075493099 /nfs/dbraw/zinc/49/30/99/1075493099.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307444 1075493103 /nfs/dbraw/zinc/49/31/03/1075493103.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676307444 1075493107 /nfs/dbraw/zinc/49/31/07/1075493107.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676307444 1075493108 /nfs/dbraw/zinc/49/31/08/1075493108.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 2 1 403.571 1.165 20 0 HDADMP COc1ccc(COC[C@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701263 1075651760 /nfs/dbraw/zinc/65/17/60/1075651760.db2.gz BLVJXHYFTLGIAF-WOJBJXKFSA-N 2 1 407.555 1.293 20 0 HDADMP COc1ccc(COC[C@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000676701263 1075651762 /nfs/dbraw/zinc/65/17/62/1075651762.db2.gz BLVJXHYFTLGIAF-WOJBJXKFSA-N 2 1 407.555 1.293 20 0 HDADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(CN3CCc4ccccc43)CC1)C2=O ZINC000732187069 1075653693 /nfs/dbraw/zinc/65/36/93/1075653693.db2.gz GRQAZGCKJTXKPI-UHFFFAOYSA-N 2 1 411.550 1.735 20 0 HDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427010761 1075790914 /nfs/dbraw/zinc/79/09/14/1075790914.db2.gz YJNFDMBZUSDWKA-IEBWSBKVSA-N 2 1 424.549 2.040 20 0 HDADMP CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000611211211 1075874737 /nfs/dbraw/zinc/87/47/37/1075874737.db2.gz UDRWKOYTMMDVGQ-SIKLNZKXSA-N 2 1 419.566 1.965 20 0 HDADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000733668480 1076147775 /nfs/dbraw/zinc/14/77/75/1076147775.db2.gz DRDLAKVROFGQIZ-OAHLLOKOSA-N 2 1 407.946 1.440 20 0 HDADMP CC[NH+](CC)CC1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000727758538 1076231498 /nfs/dbraw/zinc/23/14/98/1076231498.db2.gz ARKZSVRNEOBKPN-UHFFFAOYSA-N 2 1 407.559 1.572 20 0 HDADMP C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803541 1076655096 /nfs/dbraw/zinc/65/50/96/1076655096.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803541 1076655101 /nfs/dbraw/zinc/65/51/01/1076655101.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803541 1076655111 /nfs/dbraw/zinc/65/51/11/1076655111.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000730803541 1076655116 /nfs/dbraw/zinc/65/51/16/1076655116.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 2 1 400.523 1.889 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164411973 718875283 /nfs/dbraw/zinc/87/52/83/718875283.db2.gz SKHGRMIGELQLMJ-SNRMKQJTSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164411973 718875284 /nfs/dbraw/zinc/87/52/84/718875284.db2.gz SKHGRMIGELQLMJ-SNRMKQJTSA-N 2 1 401.555 1.821 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164683014 719710217 /nfs/dbraw/zinc/71/02/17/719710217.db2.gz HUVBXGHYAYGTQC-UHFFFAOYSA-N 2 1 406.962 1.778 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164840669 720512205 /nfs/dbraw/zinc/51/22/05/720512205.db2.gz XFLPOIGKUJIUBX-ACRUOGEOSA-N 2 1 424.597 1.803 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164834979 720551801 /nfs/dbraw/zinc/55/18/01/720551801.db2.gz GGAPEHBIPKEAJO-AABGKKOBSA-N 2 1 410.570 1.461 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746937 720731223 /nfs/dbraw/zinc/73/12/23/720731223.db2.gz ZBVJRKZNRDLTLB-MSOLQXFVSA-N 2 1 411.510 1.008 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746937 720731240 /nfs/dbraw/zinc/73/12/40/720731240.db2.gz ZBVJRKZNRDLTLB-MSOLQXFVSA-N 2 1 411.510 1.008 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2N1 ZINC001164737720 720830691 /nfs/dbraw/zinc/83/06/91/720830691.db2.gz CGTJOVAJENAXNO-IXDOHACOSA-N 2 1 409.494 1.383 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1 ZINC001164737720 720830695 /nfs/dbraw/zinc/83/06/95/720830695.db2.gz CGTJOVAJENAXNO-IXDOHACOSA-N 2 1 409.494 1.383 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164854805 720846344 /nfs/dbraw/zinc/84/63/44/720846344.db2.gz SNMJATFDJDRUHZ-WMZOPIPTSA-N 2 1 409.962 1.771 20 0 HDADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH+]cc21 ZINC001164854889 720871868 /nfs/dbraw/zinc/87/18/68/720871868.db2.gz GGBAHTHHCHWQIA-DNVCBOLYSA-N 2 1 402.495 1.913 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164855626 720890124 /nfs/dbraw/zinc/89/01/24/720890124.db2.gz HMQWPYVRHNARTC-PZJWPPBQSA-N 2 1 404.555 1.634 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164869558 721045043 /nfs/dbraw/zinc/04/50/43/721045043.db2.gz UHSLBNFXGUUNRA-HZPDHXFCSA-N 2 1 400.914 1.650 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780104 721358996 /nfs/dbraw/zinc/35/89/96/721358996.db2.gz DHISHJPUKLYMRI-QFIPXVFZSA-N 2 1 412.538 1.846 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780104 721358998 /nfs/dbraw/zinc/35/89/98/721358998.db2.gz DHISHJPUKLYMRI-QFIPXVFZSA-N 2 1 412.538 1.846 20 0 HDADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895417 721424946 /nfs/dbraw/zinc/42/49/46/721424946.db2.gz OUTJPEAWYMMTPY-NZQKXSOJSA-N 2 1 414.598 1.709 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164785761 721463117 /nfs/dbraw/zinc/46/31/17/721463117.db2.gz NIGCNFRWCGHRAM-HXUWFJFHSA-N 2 1 415.582 1.856 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164788829 721474111 /nfs/dbraw/zinc/47/41/11/721474111.db2.gz LPMYRYJPNATDFA-FQEVSTJZSA-N 2 1 415.582 1.897 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905407 721561055 /nfs/dbraw/zinc/56/10/55/721561055.db2.gz HGBFHVQMZIEMAK-QUCCMNQESA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905407 721561061 /nfs/dbraw/zinc/56/10/61/721561061.db2.gz HGBFHVQMZIEMAK-QUCCMNQESA-N 2 1 412.513 1.709 20 0 HDADMP Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]21 ZINC001164946779 721953146 /nfs/dbraw/zinc/95/31/46/721953146.db2.gz OVPRZXKCLKFVPK-VQTJNVASSA-N 2 1 412.538 1.704 20 0 HDADMP Cc1ccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959043 722025313 /nfs/dbraw/zinc/02/53/13/722025313.db2.gz HOJXUYZMSGOYSA-XMSQKQJNSA-N 2 1 424.553 1.376 20 0 HDADMP C[NH+]1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n2)CC1 ZINC001164958162 722051256 /nfs/dbraw/zinc/05/12/56/722051256.db2.gz DFSSBQAKHNYDMI-DBXWQHBBSA-N 2 1 409.538 1.529 20 0 HDADMP Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1C1C[NH2+]C1 ZINC001164963926 722062603 /nfs/dbraw/zinc/06/26/03/722062603.db2.gz DJUNQQJARFJXEA-UHFFFAOYSA-N 2 1 408.550 1.986 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980528 722129236 /nfs/dbraw/zinc/12/92/36/722129236.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 2 1 422.577 1.956 20 0 HDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000673650327 1073549581 /nfs/dbraw/zinc/54/95/81/1073549581.db2.gz NEOLJYDNXCCDHR-QFIPXVFZSA-N 2 1 400.567 1.912 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000673669484 1073621703 /nfs/dbraw/zinc/62/17/03/1073621703.db2.gz RSZSCNSEFRDXJR-NRFANRHFSA-N 2 1 413.610 1.792 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669484 1073621704 /nfs/dbraw/zinc/62/17/04/1073621704.db2.gz RSZSCNSEFRDXJR-NRFANRHFSA-N 2 1 413.610 1.792 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670491 1073624123 /nfs/dbraw/zinc/62/41/23/1073624123.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670491 1073624127 /nfs/dbraw/zinc/62/41/27/1073624127.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670491 1073624130 /nfs/dbraw/zinc/62/41/30/1073624130.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624132 /nfs/dbraw/zinc/62/41/32/1073624132.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624136 /nfs/dbraw/zinc/62/41/36/1073624136.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670610 1073625385 /nfs/dbraw/zinc/62/53/85/1073625385.db2.gz ZWSSSDJYTZCJJK-QHCPKHFHSA-N 2 1 413.610 1.826 20 0 HDADMP CCC[N@H+](CC)CCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673760973 1073701264 /nfs/dbraw/zinc/70/12/64/1073701264.db2.gz HUHROUABDPVGBN-UHFFFAOYSA-N 2 1 418.586 1.750 20 0 HDADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673760973 1073701271 /nfs/dbraw/zinc/70/12/71/1073701271.db2.gz HUHROUABDPVGBN-UHFFFAOYSA-N 2 1 418.586 1.750 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772564 /nfs/dbraw/zinc/77/25/64/1073772564.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772570 /nfs/dbraw/zinc/77/25/70/1073772570.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772576 /nfs/dbraw/zinc/77/25/76/1073772576.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772581 /nfs/dbraw/zinc/77/25/81/1073772581.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 2 1 402.514 1.731 20 0 HDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000543520994 1073988356 /nfs/dbraw/zinc/98/83/56/1073988356.db2.gz ISSGNDIIEKPWTN-IBGZPJMESA-N 2 1 416.566 1.292 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000674229431 1074236013 /nfs/dbraw/zinc/23/60/13/1074236013.db2.gz ZSBFACASQHSWCU-GOSISDBHSA-N 2 1 418.538 1.136 20 0 HDADMP C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000429234654 1074452058 /nfs/dbraw/zinc/45/20/58/1074452058.db2.gz ZFXJTVSJGJZQHV-UTKZUKDTSA-N 2 1 409.530 1.986 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103082 1074719797 /nfs/dbraw/zinc/71/97/97/1074719797.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103082 1074719804 /nfs/dbraw/zinc/71/98/04/1074719804.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103082 1074719811 /nfs/dbraw/zinc/71/98/11/1074719811.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 2 1 415.582 1.355 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676040881 1075338249 /nfs/dbraw/zinc/33/82/49/1075338249.db2.gz ZRKAJXFAWGLXGB-WOJBJXKFSA-N 2 1 407.603 1.978 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000676088423 1075371210 /nfs/dbraw/zinc/37/12/10/1075371210.db2.gz FVQOXVYOAIURPZ-KRWDZBQOSA-N 2 1 402.499 1.320 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000676092990 1075377122 /nfs/dbraw/zinc/37/71/22/1075377122.db2.gz AWAWBXNVOOMXPY-INIZCTEOSA-N 2 1 418.567 1.473 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)CC1 ZINC000676357850 1075531536 /nfs/dbraw/zinc/53/15/36/1075531536.db2.gz HXJJVOJUJIOUCU-HXUWFJFHSA-N 2 1 420.646 1.355 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357850 1075531543 /nfs/dbraw/zinc/53/15/43/1075531543.db2.gz HXJJVOJUJIOUCU-HXUWFJFHSA-N 2 1 420.646 1.355 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000676359439 1075533101 /nfs/dbraw/zinc/53/31/01/1075533101.db2.gz QXVUYRCWIDGNJV-FGZHOGPDSA-N 2 1 421.630 1.830 20 0 HDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427010763 1075600156 /nfs/dbraw/zinc/60/01/56/1075600156.db2.gz YJNFDMBZUSDWKA-PKOBYXMFSA-N 2 1 424.549 2.040 20 0 HDADMP C[NH+]1CCN([C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307486 1075695684 /nfs/dbraw/zinc/69/56/84/1075695684.db2.gz HDFFPLLFTRFSHR-FCHUYYIVSA-N 2 1 400.567 1.735 20 0 HDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509440986 1075723367 /nfs/dbraw/zinc/72/33/67/1075723367.db2.gz IGHJSTJIOBXSJK-RBUKOAKNSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000509447400 1075765853 /nfs/dbraw/zinc/76/58/53/1075765853.db2.gz BVASNNIOCNCSQH-IBGZPJMESA-N 2 1 415.582 1.629 20 0 HDADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611181036 1075868471 /nfs/dbraw/zinc/86/84/71/1075868471.db2.gz UVKZPLWIBQSIHH-FQEVSTJZSA-N 2 1 408.587 1.421 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000493266789 1075990729 /nfs/dbraw/zinc/99/07/29/1075990729.db2.gz ZRUYNWCHVMNCCG-OALUTQOASA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c(C)cn1C ZINC000493266789 1075990734 /nfs/dbraw/zinc/99/07/34/1075990734.db2.gz ZRUYNWCHVMNCCG-OALUTQOASA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c(C)cn1C ZINC000493266789 1075990737 /nfs/dbraw/zinc/99/07/37/1075990737.db2.gz ZRUYNWCHVMNCCG-OALUTQOASA-N 2 1 417.598 1.691 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000495357536 1076007390 /nfs/dbraw/zinc/00/73/90/1076007390.db2.gz HSIPELDAASLJEF-UHFFFAOYSA-N 2 1 401.555 1.455 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000495398082 1076014816 /nfs/dbraw/zinc/01/48/16/1076014816.db2.gz YPKCDSKETDKMRB-NRFANRHFSA-N 2 1 415.582 1.497 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000495398082 1076014819 /nfs/dbraw/zinc/01/48/19/1076014819.db2.gz YPKCDSKETDKMRB-NRFANRHFSA-N 2 1 415.582 1.497 20 0 HDADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000727224903 1076084077 /nfs/dbraw/zinc/08/40/77/1076084077.db2.gz TXGNFALUIHGTAA-GOSISDBHSA-N 2 1 409.575 1.809 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@@H]54)n3)[C@H]2C1 ZINC000498095085 1076353663 /nfs/dbraw/zinc/35/36/63/1076353663.db2.gz OPMVSHWQNYXVCS-JWWGGVBKSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@@H]54)n3)[C@H]2C1 ZINC000498095085 1076353668 /nfs/dbraw/zinc/35/36/68/1076353668.db2.gz OPMVSHWQNYXVCS-JWWGGVBKSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@@H]54)n3)[C@H]2C1 ZINC000498095085 1076353674 /nfs/dbraw/zinc/35/36/74/1076353674.db2.gz OPMVSHWQNYXVCS-JWWGGVBKSA-N 2 1 411.550 1.414 20 0 HDADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000028888762 1076362302 /nfs/dbraw/zinc/36/23/02/1076362302.db2.gz JQYBILGWCGVTKF-XLIONFOSSA-N 2 1 407.580 1.796 20 0 HDADMP C[N@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803539 1076655206 /nfs/dbraw/zinc/65/52/06/1076655206.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@@H+](C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803539 1076655210 /nfs/dbraw/zinc/65/52/10/1076655210.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803539 1076655215 /nfs/dbraw/zinc/65/52/15/1076655215.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000730803539 1076655222 /nfs/dbraw/zinc/65/52/22/1076655222.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 2 1 400.523 1.889 20 0 HDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164617458 719014233 /nfs/dbraw/zinc/01/42/33/719014233.db2.gz OIKTYNNNNJFQSG-JRGCBEDISA-N 2 1 407.518 1.765 20 0 HDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164617458 719014237 /nfs/dbraw/zinc/01/42/37/719014237.db2.gz OIKTYNNNNJFQSG-JRGCBEDISA-N 2 1 407.518 1.765 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686164 719613373 /nfs/dbraw/zinc/61/33/73/719613373.db2.gz YQOPKVXLIFFWNG-UHFFFAOYSA-N 2 1 406.922 1.033 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc(N3CCOCC3)n2)c2c1CC[NH2+]C2 ZINC001164686164 719613384 /nfs/dbraw/zinc/61/33/84/719613384.db2.gz YQOPKVXLIFFWNG-UHFFFAOYSA-N 2 1 406.922 1.033 20 0 HDADMP Cc1nc(N(C)C)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164711938 720170316 /nfs/dbraw/zinc/17/03/16/720170316.db2.gz DUZMLTUJVSMKSQ-QGZVFWFLSA-N 2 1 400.531 1.196 20 0 HDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817145 720185108 /nfs/dbraw/zinc/18/51/08/720185108.db2.gz OGEBOMZIMLDDPH-SIKLNZKXSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817145 720185122 /nfs/dbraw/zinc/18/51/22/720185122.db2.gz OGEBOMZIMLDDPH-SIKLNZKXSA-N 2 1 400.571 1.413 20 0 HDADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739620 720663171 /nfs/dbraw/zinc/66/31/71/720663171.db2.gz OHGYRCVMOBFEPT-CVEARBPZSA-N 2 1 415.929 1.729 20 0 HDADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746034 720862022 /nfs/dbraw/zinc/86/20/22/720862022.db2.gz FJCBOTRIUUUONJ-YSIASYRMSA-N 2 1 408.554 1.443 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164783614 721453165 /nfs/dbraw/zinc/45/31/65/721453165.db2.gz CKCLEXUFKLDPBE-HXUWFJFHSA-N 2 1 415.582 1.856 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164801687 721567589 /nfs/dbraw/zinc/56/75/89/721567589.db2.gz HCGNRCMALWNOGY-VWPQPMDRSA-N 2 1 423.565 1.667 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164801687 721567592 /nfs/dbraw/zinc/56/75/92/721567592.db2.gz HCGNRCMALWNOGY-VWPQPMDRSA-N 2 1 423.565 1.667 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976021 722133424 /nfs/dbraw/zinc/13/34/24/722133424.db2.gz GKTXNGYALYDKGI-IFMALSPDSA-N 2 1 408.550 1.614 20 0 HDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415096 1073570675 /nfs/dbraw/zinc/57/06/75/1073570675.db2.gz IYFXILYACKWXRH-AZUAARDMSA-N 2 1 407.518 1.682 20 0 HDADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429103355 1073580917 /nfs/dbraw/zinc/58/09/17/1073580917.db2.gz MXCYJIJHHWKADQ-NRFANRHFSA-N 3 1 400.571 1.910 20 0 HDADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429103355 1073580928 /nfs/dbraw/zinc/58/09/28/1073580928.db2.gz MXCYJIJHHWKADQ-NRFANRHFSA-N 2 1 400.571 1.910 20 0 HDADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429103355 1073580939 /nfs/dbraw/zinc/58/09/39/1073580939.db2.gz MXCYJIJHHWKADQ-NRFANRHFSA-N 2 1 400.571 1.910 20 0 HDADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708314 /nfs/dbraw/zinc/70/83/14/1073708314.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708324 /nfs/dbraw/zinc/70/83/24/1073708324.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708331 /nfs/dbraw/zinc/70/83/31/1073708331.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708611 /nfs/dbraw/zinc/70/86/11/1073708611.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708616 /nfs/dbraw/zinc/70/86/16/1073708616.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708625 /nfs/dbraw/zinc/70/86/25/1073708625.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)C[C@@H](C)O1 ZINC000429182780 1073981939 /nfs/dbraw/zinc/98/19/39/1073981939.db2.gz NHDNVHCEWWBNIY-WOJBJXKFSA-N 2 1 423.646 1.933 20 0 HDADMP CC[N@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC000543579235 1074163116 /nfs/dbraw/zinc/16/31/16/1074163116.db2.gz CMDVEFOFCYMSBJ-GOSISDBHSA-N 2 1 424.611 1.687 20 0 HDADMP COC1CC[NH+](CCNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000674326063 1074274691 /nfs/dbraw/zinc/27/46/91/1074274691.db2.gz YDNHXBMBTXKRHZ-SFHVURJKSA-N 2 1 409.600 1.447 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCOC[C@H]1CCOC1 ZINC000674328794 1074277873 /nfs/dbraw/zinc/27/78/73/1074277873.db2.gz UQPNNMLFJWRQLD-FQEVSTJZSA-N 2 1 410.603 1.877 20 0 HDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000675175660 1074749258 /nfs/dbraw/zinc/74/92/58/1074749258.db2.gz MZNRTGZDKQKPLT-HXUWFJFHSA-N 2 1 401.555 1.748 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000477070234 1074779161 /nfs/dbraw/zinc/77/91/61/1074779161.db2.gz RVOZEKWDANSUIO-MOPGFXCFSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091022 1074791489 /nfs/dbraw/zinc/79/14/89/1074791489.db2.gz AXTLRMIJQNYOGW-GBESFXJTSA-N 2 1 418.582 1.759 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000477107821 1074810559 /nfs/dbraw/zinc/81/05/59/1074810559.db2.gz NJTRLIWFHYPLHD-SFHVURJKSA-N 2 1 410.603 1.763 20 0 HDADMP C[C@@H](c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000675608384 1075224303 /nfs/dbraw/zinc/22/43/03/1075224303.db2.gz YCZHEPVCHIVEIJ-INIZCTEOSA-N 2 1 414.510 1.415 20 0 HDADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000675749894 1075263994 /nfs/dbraw/zinc/26/39/94/1075263994.db2.gz VXZFZCXSWWSSSR-QGZVFWFLSA-N 2 1 405.506 1.901 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000675934634 1075296363 /nfs/dbraw/zinc/29/63/63/1075296363.db2.gz QVZYQFGIYZFPMA-YLJYHZDGSA-N 2 1 402.539 1.898 20 0 HDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000676075734 1075343941 /nfs/dbraw/zinc/34/39/41/1075343941.db2.gz PFBLRQJAZQNPCM-QRVBRYPASA-N 2 1 404.621 1.374 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000676095946 1075357379 /nfs/dbraw/zinc/35/73/79/1075357379.db2.gz XXAACKJGHXSTMM-IBGZPJMESA-N 2 1 404.559 1.544 20 0 HDADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097940 1075361219 /nfs/dbraw/zinc/36/12/19/1075361219.db2.gz XVERZENRNVAQEN-HXUWFJFHSA-N 2 1 404.474 1.939 20 0 HDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098072 1075362572 /nfs/dbraw/zinc/36/25/72/1075362572.db2.gz YFSIVBRVOAEZFM-LJQANCHMSA-N 2 1 412.538 1.364 20 0 HDADMP CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000676097200 1075362601 /nfs/dbraw/zinc/36/26/01/1075362601.db2.gz KAGOLPCKVSQUNZ-HXUWFJFHSA-N 2 1 412.538 1.506 20 0 HDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1Cc1ccccc1 ZINC000676099071 1075365766 /nfs/dbraw/zinc/36/57/66/1075365766.db2.gz BQFBNACBWMZXLW-FUHWJXTLSA-N 2 1 404.474 1.985 20 0 HDADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243385 1075445914 /nfs/dbraw/zinc/44/59/14/1075445914.db2.gz LQNQVIXIXMUXOF-PZJWPPBQSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243385 1075445916 /nfs/dbraw/zinc/44/59/16/1075445916.db2.gz LQNQVIXIXMUXOF-PZJWPPBQSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676279058 1075478696 /nfs/dbraw/zinc/47/86/96/1075478696.db2.gz LUKBYESFOCBAFD-FXAWDEMLSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279058 1075478698 /nfs/dbraw/zinc/47/86/98/1075478698.db2.gz LUKBYESFOCBAFD-FXAWDEMLSA-N 2 1 402.539 1.692 20 0 HDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000676280579 1075486092 /nfs/dbraw/zinc/48/60/92/1075486092.db2.gz JQEFMFREUBUMAX-TWOQFEAHSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000676280579 1075486095 /nfs/dbraw/zinc/48/60/95/1075486095.db2.gz JQEFMFREUBUMAX-TWOQFEAHSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000676280579 1075486098 /nfs/dbraw/zinc/48/60/98/1075486098.db2.gz JQEFMFREUBUMAX-TWOQFEAHSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000676280579 1075486102 /nfs/dbraw/zinc/48/61/02/1075486102.db2.gz JQEFMFREUBUMAX-TWOQFEAHSA-N 2 1 402.539 1.821 20 0 HDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676316803 1075506390 /nfs/dbraw/zinc/50/63/90/1075506390.db2.gz AJFCXVVMWZKBGN-UGKGYDQZSA-N 2 1 400.567 1.562 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000676359440 1075533088 /nfs/dbraw/zinc/53/30/88/1075533088.db2.gz QXVUYRCWIDGNJV-VXKWHMMOSA-N 2 1 421.630 1.830 20 0 HDADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451563 1075558232 /nfs/dbraw/zinc/55/82/32/1075558232.db2.gz FTBJNDBWOIORIM-RBUKOAKNSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000676451563 1075558239 /nfs/dbraw/zinc/55/82/39/1075558239.db2.gz FTBJNDBWOIORIM-RBUKOAKNSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000676451563 1075558246 /nfs/dbraw/zinc/55/82/46/1075558246.db2.gz FTBJNDBWOIORIM-RBUKOAKNSA-N 2 1 410.522 1.479 20 0 HDADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000426928746 1075572666 /nfs/dbraw/zinc/57/26/66/1075572666.db2.gz KHKYFOJUMISGMY-KRWDZBQOSA-N 2 1 412.538 1.725 20 0 HDADMP C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000608328070 1075589655 /nfs/dbraw/zinc/58/96/55/1075589655.db2.gz UOOWONLMMULXPI-MJGOQNOKSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000608328070 1075589660 /nfs/dbraw/zinc/58/96/60/1075589660.db2.gz UOOWONLMMULXPI-MJGOQNOKSA-N 2 1 400.527 1.856 20 0 HDADMP COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701257 1075651660 /nfs/dbraw/zinc/65/16/60/1075651660.db2.gz BLVJXHYFTLGIAF-PMACEKPBSA-N 2 1 407.555 1.293 20 0 HDADMP COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000676701257 1075651664 /nfs/dbraw/zinc/65/16/64/1075651664.db2.gz BLVJXHYFTLGIAF-PMACEKPBSA-N 2 1 407.555 1.293 20 0 HDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000543687350 1075712221 /nfs/dbraw/zinc/71/22/21/1075712221.db2.gz IBMUZTCHJBUAME-NRFANRHFSA-N 2 1 404.555 1.241 20 0 HDADMP C[NH+](CCCO)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000543687350 1075712226 /nfs/dbraw/zinc/71/22/26/1075712226.db2.gz IBMUZTCHJBUAME-NRFANRHFSA-N 2 1 404.555 1.241 20 0 HDADMP C[NH+](CCCO)C1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000543687350 1075712229 /nfs/dbraw/zinc/71/22/29/1075712229.db2.gz IBMUZTCHJBUAME-NRFANRHFSA-N 2 1 404.555 1.241 20 0 HDADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)(C)C ZINC000467672330 1075734038 /nfs/dbraw/zinc/73/40/38/1075734038.db2.gz UVTWHWXYZZNMBZ-QGZVFWFLSA-N 2 1 405.543 1.608 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000509442514 1075736779 /nfs/dbraw/zinc/73/67/79/1075736779.db2.gz QBSQDZNDNPSQIB-FQEVSTJZSA-N 2 1 415.582 1.258 20 0 HDADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H]1c1cccs1 ZINC000441946333 1075790523 /nfs/dbraw/zinc/79/05/23/1075790523.db2.gz IPGWGSZGZDNZRP-DNVCBOLYSA-N 2 1 424.530 2.467 20 0 HDADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000511719898 1075818470 /nfs/dbraw/zinc/81/84/70/1075818470.db2.gz BNNFVDOWVLGMEK-FXAWDEMLSA-N 2 1 424.549 1.868 20 0 HDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)c2C1 ZINC000568907670 1075865755 /nfs/dbraw/zinc/86/57/55/1075865755.db2.gz NFJHXCOBDUJQJF-MRXNPFEDSA-N 2 1 412.538 2.382 20 0 HDADMP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181016 1075868578 /nfs/dbraw/zinc/86/85/78/1075868578.db2.gz AQNYRVAEZCNRCR-IBGZPJMESA-N 2 1 408.587 1.279 20 0 HDADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489367046 1075882696 /nfs/dbraw/zinc/88/26/96/1075882696.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 2 1 415.582 1.906 20 0 HDADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[NH+](C)[C@@H](C(C)C)C3)n2)CC[N@@H+]1C ZINC000489367046 1075882703 /nfs/dbraw/zinc/88/27/03/1075882703.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 2 1 415.582 1.906 20 0 HDADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[NH+](C)[C@@H](C(C)C)C3)n2)CC[N@H+]1C ZINC000489367046 1075882707 /nfs/dbraw/zinc/88/27/07/1075882707.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 2 1 415.582 1.906 20 0 HDADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000511822858 1075999084 /nfs/dbraw/zinc/99/90/84/1075999084.db2.gz IVGLAGIZBNJMKJ-XJUOHMSHSA-N 2 1 404.599 1.206 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000495398083 1076014868 /nfs/dbraw/zinc/01/48/68/1076014868.db2.gz YPKCDSKETDKMRB-OAQYLSRUSA-N 2 1 415.582 1.497 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000495398083 1076014872 /nfs/dbraw/zinc/01/48/72/1076014872.db2.gz YPKCDSKETDKMRB-OAQYLSRUSA-N 2 1 415.582 1.497 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534530751 1076247941 /nfs/dbraw/zinc/24/79/41/1076247941.db2.gz JGBRNFSPVHJKBF-OAQYLSRUSA-N 2 1 409.534 1.964 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534530751 1076247942 /nfs/dbraw/zinc/24/79/42/1076247942.db2.gz JGBRNFSPVHJKBF-OAQYLSRUSA-N 2 1 409.534 1.964 20 0 HDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053053 1076321383 /nfs/dbraw/zinc/32/13/83/1076321383.db2.gz GKRIDEQAWHWFSK-NQIIRXRSSA-N 2 1 417.550 1.608 20 0 HDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053053 1076321389 /nfs/dbraw/zinc/32/13/89/1076321389.db2.gz GKRIDEQAWHWFSK-NQIIRXRSSA-N 2 1 417.550 1.608 20 0 HDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322244 /nfs/dbraw/zinc/32/22/44/1076322244.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322250 /nfs/dbraw/zinc/32/22/50/1076322250.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322256 /nfs/dbraw/zinc/32/22/56/1076322256.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)cc1 ZINC000728054120 1076322259 /nfs/dbraw/zinc/32/22/59/1076322259.db2.gz VMNMTWVOBPBPKX-FQEVSTJZSA-N 2 1 417.550 1.814 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000731120132 1076726022 /nfs/dbraw/zinc/72/60/22/1076726022.db2.gz OJRDSJXWNSPKCI-HXUWFJFHSA-N 2 1 411.554 1.887 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731120132 1076726028 /nfs/dbraw/zinc/72/60/28/1076726028.db2.gz OJRDSJXWNSPKCI-HXUWFJFHSA-N 2 1 411.554 1.887 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCOCC23C[NH2+]C3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164401094 718860472 /nfs/dbraw/zinc/86/04/72/718860472.db2.gz BVDRZCSGZCPTEV-MRXNPFEDSA-N 2 1 417.554 1.059 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCOCC23C[NH2+]C3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164401094 718860473 /nfs/dbraw/zinc/86/04/73/718860473.db2.gz BVDRZCSGZCPTEV-MRXNPFEDSA-N 2 1 417.554 1.059 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164411971 718875339 /nfs/dbraw/zinc/87/53/39/718875339.db2.gz SKHGRMIGELQLMJ-AYOQOUSVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164411971 718875341 /nfs/dbraw/zinc/87/53/41/718875341.db2.gz SKHGRMIGELQLMJ-AYOQOUSVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164411972 718875427 /nfs/dbraw/zinc/87/54/27/718875427.db2.gz SKHGRMIGELQLMJ-MNEFBYGVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164411972 718875431 /nfs/dbraw/zinc/87/54/31/718875431.db2.gz SKHGRMIGELQLMJ-MNEFBYGVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164422080 718895847 /nfs/dbraw/zinc/89/58/47/718895847.db2.gz SQVOIDXISRGDTP-DMPWYTOCSA-N 2 1 401.555 1.808 20 0 HDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164617459 719014431 /nfs/dbraw/zinc/01/44/31/719014431.db2.gz OIKTYNNNNJFQSG-QMMLZNLJSA-N 2 1 407.518 1.765 20 0 HDADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164617459 719014436 /nfs/dbraw/zinc/01/44/36/719014436.db2.gz OIKTYNNNNJFQSG-QMMLZNLJSA-N 2 1 407.518 1.765 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164690279 719756057 /nfs/dbraw/zinc/75/60/57/719756057.db2.gz YEAVRKLKQFGRSG-UHFFFAOYSA-N 2 1 401.555 1.641 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807951 720075767 /nfs/dbraw/zinc/07/57/67/720075767.db2.gz GPXUTTRLPBWPAM-KNQAVFIVSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811775 720142095 /nfs/dbraw/zinc/14/20/95/720142095.db2.gz NGWQXACBCMJFLG-AVRDEDQJSA-N 2 1 400.571 1.589 20 0 HDADMP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743366 720743032 /nfs/dbraw/zinc/74/30/32/720743032.db2.gz PSNMOTOTQVKTSO-RTBURBONSA-N 2 1 410.522 1.688 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2N1 ZINC001164737719 720830850 /nfs/dbraw/zinc/83/08/50/720830850.db2.gz CGTJOVAJENAXNO-GVDBMIGSSA-N 2 1 409.494 1.383 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1 ZINC001164737719 720830851 /nfs/dbraw/zinc/83/08/51/720830851.db2.gz CGTJOVAJENAXNO-GVDBMIGSSA-N 2 1 409.494 1.383 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164854803 720846620 /nfs/dbraw/zinc/84/66/20/720846620.db2.gz SNMJATFDJDRUHZ-FUHWJXTLSA-N 2 1 409.962 1.771 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164853357 720886911 /nfs/dbraw/zinc/88/69/11/720886911.db2.gz CAXGAOAQBBGTDE-RXVVDRJESA-N 3 1 404.555 1.728 20 0 HDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1 ZINC001164853357 720886913 /nfs/dbraw/zinc/88/69/13/720886913.db2.gz CAXGAOAQBBGTDE-RXVVDRJESA-N 2 1 404.555 1.728 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1 ZINC001164853357 720886914 /nfs/dbraw/zinc/88/69/14/720886914.db2.gz CAXGAOAQBBGTDE-RXVVDRJESA-N 2 1 404.555 1.728 20 0 HDADMP C[NH+]1CCN(c2nccc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)n2)CC1 ZINC001164766806 721041347 /nfs/dbraw/zinc/04/13/47/721041347.db2.gz RQOJTCLIJSFNIN-UHFFFAOYSA-N 2 1 419.537 1.304 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164869559 721044737 /nfs/dbraw/zinc/04/47/37/721044737.db2.gz UHSLBNFXGUUNRA-JKSUJKDBSA-N 2 1 400.914 1.650 20 0 HDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164880274 721149177 /nfs/dbraw/zinc/14/91/77/721149177.db2.gz VQMOHOPTEHQVKD-ICSRJNTNSA-N 2 1 410.522 1.482 20 0 HDADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164881149 721173543 /nfs/dbraw/zinc/17/35/43/721173543.db2.gz ZHFRQDOXYNOHPX-NHCUHLMSSA-N 2 1 424.549 1.730 20 0 HDADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762841 721229875 /nfs/dbraw/zinc/22/98/75/721229875.db2.gz LLCATDZFSUATQK-UXHICEINSA-N 2 1 411.554 1.547 20 0 HDADMP Cc1cc(N2CCCC2)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164874253 721261640 /nfs/dbraw/zinc/26/16/40/721261640.db2.gz JZMIUZRXXQSMHI-UHFFFAOYSA-N 2 1 416.570 1.392 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]C4)C2)C1 ZINC001164778664 721340273 /nfs/dbraw/zinc/34/02/73/721340273.db2.gz NPZVTJXCXVTJEB-JOCHJYFZSA-N 2 1 412.538 1.846 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3CC[NH2+]C4)C2)C1 ZINC001164778664 721340276 /nfs/dbraw/zinc/34/02/76/721340276.db2.gz NPZVTJXCXVTJEB-JOCHJYFZSA-N 2 1 412.538 1.846 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801683 721567482 /nfs/dbraw/zinc/56/74/82/721567482.db2.gz HCGNRCMALWNOGY-TUNNFDKTSA-N 2 1 423.565 1.667 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164801683 721567483 /nfs/dbraw/zinc/56/74/83/721567483.db2.gz HCGNRCMALWNOGY-TUNNFDKTSA-N 2 1 423.565 1.667 20 0 HDADMP Cc1ccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959039 722025270 /nfs/dbraw/zinc/02/52/70/722025270.db2.gz HOJXUYZMSGOYSA-GCJKJVERSA-N 2 1 424.553 1.376 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978052 722130322 /nfs/dbraw/zinc/13/03/22/722130322.db2.gz JKLVGYDNZKTHPH-CTNGQTDRSA-N 2 1 423.565 1.526 20 0 HDADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165002301 722254668 /nfs/dbraw/zinc/25/46/68/722254668.db2.gz NIVSYPRWDASZGB-UHFFFAOYSA-N 2 1 413.482 1.430 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000673669485 1073621578 /nfs/dbraw/zinc/62/15/78/1073621578.db2.gz RSZSCNSEFRDXJR-OAQYLSRUSA-N 2 1 413.610 1.792 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669485 1073621588 /nfs/dbraw/zinc/62/15/88/1073621588.db2.gz RSZSCNSEFRDXJR-OAQYLSRUSA-N 2 1 413.610 1.792 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cn1 ZINC000673809363 1073762480 /nfs/dbraw/zinc/76/24/80/1073762480.db2.gz ADIVTUXKVXFGCD-UHFFFAOYSA-N 2 1 406.453 1.563 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000673870289 1073835768 /nfs/dbraw/zinc/83/57/68/1073835768.db2.gz LFRRQSKHIFPSAT-QGZVFWFLSA-N 2 1 405.572 1.616 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673879262 1073850972 /nfs/dbraw/zinc/85/09/72/1073850972.db2.gz XMKJRIORLBZAOL-HXUWFJFHSA-N 2 1 407.603 1.489 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000673892262 1073864411 /nfs/dbraw/zinc/86/44/11/1073864411.db2.gz XWKGQABQTNENTK-UHFFFAOYSA-N 2 1 418.538 1.279 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000674089373 1074180698 /nfs/dbraw/zinc/18/06/98/1074180698.db2.gz DTCBUGIXNZPZKA-WOJBJXKFSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674089373 1074180701 /nfs/dbraw/zinc/18/07/01/1074180701.db2.gz DTCBUGIXNZPZKA-WOJBJXKFSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000674089373 1074180704 /nfs/dbraw/zinc/18/07/04/1074180704.db2.gz DTCBUGIXNZPZKA-WOJBJXKFSA-N 2 1 404.599 1.994 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000674328105 1074276924 /nfs/dbraw/zinc/27/69/24/1074276924.db2.gz HXRHPFJNVCPENM-UHFFFAOYSA-N 2 1 407.534 1.358 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000674327981 1074277476 /nfs/dbraw/zinc/27/74/76/1074277476.db2.gz FJEHFHYRMDCUJM-QFIPXVFZSA-N 2 1 417.598 1.775 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000674327981 1074277479 /nfs/dbraw/zinc/27/74/79/1074277479.db2.gz FJEHFHYRMDCUJM-QFIPXVFZSA-N 2 1 417.598 1.775 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000674327981 1074277482 /nfs/dbraw/zinc/27/74/82/1074277482.db2.gz FJEHFHYRMDCUJM-QFIPXVFZSA-N 2 1 417.598 1.775 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429239326 1074524105 /nfs/dbraw/zinc/52/41/05/1074524105.db2.gz UJGLWGIAHWRPHK-UHFFFAOYSA-N 2 1 401.511 1.735 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000429239326 1074524117 /nfs/dbraw/zinc/52/41/17/1074524117.db2.gz UJGLWGIAHWRPHK-UHFFFAOYSA-N 2 1 401.511 1.735 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079621 1074781981 /nfs/dbraw/zinc/78/19/81/1074781981.db2.gz BBWIUDFCGPWCTR-ORYQWCPZSA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079621 1074781989 /nfs/dbraw/zinc/78/19/89/1074781989.db2.gz BBWIUDFCGPWCTR-ORYQWCPZSA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000477081845 1074789091 /nfs/dbraw/zinc/78/90/91/1074789091.db2.gz NEUWXFFPOFJKJF-CEWLAPEOSA-N 2 1 423.646 1.629 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000477103203 1074801166 /nfs/dbraw/zinc/80/11/66/1074801166.db2.gz UYDWTBRPZBTUDH-AZUAARDMSA-N 2 1 404.555 1.240 20 0 HDADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427016831 1075095679 /nfs/dbraw/zinc/09/56/79/1075095679.db2.gz PZLSZELJRCYGJX-UHFFFAOYSA-N 2 1 418.586 2.059 20 0 HDADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000675886293 1075289461 /nfs/dbraw/zinc/28/94/61/1075289461.db2.gz QPUYUEPWHNZQIJ-LJQANCHMSA-N 2 1 420.985 1.941 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000675887410 1075289564 /nfs/dbraw/zinc/28/95/64/1075289564.db2.gz IDDLKCRFIGDOQS-FQEVSTJZSA-N 2 1 417.554 1.787 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000675934631 1075296421 /nfs/dbraw/zinc/29/64/21/1075296421.db2.gz QVZYQFGIYZFPMA-FXAWDEMLSA-N 2 1 402.539 1.898 20 0 HDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098909 1075363112 /nfs/dbraw/zinc/36/31/12/1075363112.db2.gz HFOPOCJUVRVALO-YLJYHZDGSA-N 2 1 412.538 1.410 20 0 HDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1Cc1ccccc1 ZINC000676099073 1075366424 /nfs/dbraw/zinc/36/64/24/1075366424.db2.gz BQFBNACBWMZXLW-WMZOPIPTSA-N 2 1 404.474 1.985 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731498643 1075368705 /nfs/dbraw/zinc/36/87/05/1075368705.db2.gz ROENFWZLAJKHBP-UHFFFAOYSA-N 2 1 413.526 1.318 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cn1 ZINC000676088424 1075371123 /nfs/dbraw/zinc/37/11/23/1075371123.db2.gz FVQOXVYOAIURPZ-QGZVFWFLSA-N 2 1 402.499 1.320 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000676129448 1075389923 /nfs/dbraw/zinc/38/99/23/1075389923.db2.gz KQBUJNHLBUEWBL-ICSRJNTNSA-N 2 1 400.527 1.449 20 0 HDADMP O=S(=O)(c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1)N1CCOCC1 ZINC000676239535 1075442617 /nfs/dbraw/zinc/44/26/17/1075442617.db2.gz HKYVAFFBLIQPOR-HXUWFJFHSA-N 2 1 423.579 1.441 20 0 HDADMP C[C@@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676249655 1075467196 /nfs/dbraw/zinc/46/71/96/1075467196.db2.gz RDWXMPAKHCMKPO-WIYYLYMNSA-N 2 1 419.570 1.178 20 0 HDADMP C[C@@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676249655 1075467201 /nfs/dbraw/zinc/46/72/01/1075467201.db2.gz RDWXMPAKHCMKPO-WIYYLYMNSA-N 2 1 419.570 1.178 20 0 HDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000676280562 1075485868 /nfs/dbraw/zinc/48/58/68/1075485868.db2.gz JQEFMFREUBUMAX-FTRWYGJKSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000676280562 1075485874 /nfs/dbraw/zinc/48/58/74/1075485874.db2.gz JQEFMFREUBUMAX-FTRWYGJKSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000676280562 1075485879 /nfs/dbraw/zinc/48/58/79/1075485879.db2.gz JQEFMFREUBUMAX-FTRWYGJKSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000676280562 1075485884 /nfs/dbraw/zinc/48/58/84/1075485884.db2.gz JQEFMFREUBUMAX-FTRWYGJKSA-N 2 1 402.539 1.821 20 0 HDADMP CC[C@H](C)n1nc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1C ZINC000439218684 1075488650 /nfs/dbraw/zinc/48/86/50/1075488650.db2.gz WQEWJTHIGDYACV-WMZOPIPTSA-N 2 1 406.575 1.976 20 0 HDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676316800 1075506414 /nfs/dbraw/zinc/50/64/14/1075506414.db2.gz AJFCXVVMWZKBGN-DENIHFKCSA-N 2 1 400.567 1.562 20 0 HDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731842895 1075548026 /nfs/dbraw/zinc/54/80/26/1075548026.db2.gz JULWOZBGRFPUOV-GMYFBSLISA-N 2 1 410.584 1.068 20 0 HDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000731842895 1075548030 /nfs/dbraw/zinc/54/80/30/1075548030.db2.gz JULWOZBGRFPUOV-GMYFBSLISA-N 2 1 410.584 1.068 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451984 1075557335 /nfs/dbraw/zinc/55/73/35/1075557335.db2.gz LMVAOPPRUBCOHN-PMACEKPBSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451984 1075557342 /nfs/dbraw/zinc/55/73/42/1075557342.db2.gz LMVAOPPRUBCOHN-PMACEKPBSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451984 1075557346 /nfs/dbraw/zinc/55/73/46/1075557346.db2.gz LMVAOPPRUBCOHN-PMACEKPBSA-N 2 1 424.549 1.787 20 0 HDADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000466731829 1075568639 /nfs/dbraw/zinc/56/86/39/1075568639.db2.gz UBMUERZDZXVTIV-IBGZPJMESA-N 2 1 405.539 1.765 20 0 HDADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456664 1075624517 /nfs/dbraw/zinc/62/45/17/1075624517.db2.gz RVQWSFNUVKPPDZ-ZWKOTPCHSA-N 2 1 415.582 1.737 20 0 HDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655004 /nfs/dbraw/zinc/65/50/04/1075655004.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 2 1 400.567 1.956 20 0 HDADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655006 /nfs/dbraw/zinc/65/50/06/1075655006.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 2 1 400.567 1.956 20 0 HDADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655009 /nfs/dbraw/zinc/65/50/09/1075655009.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 2 1 400.567 1.956 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000676740303 1075672309 /nfs/dbraw/zinc/67/23/09/1075672309.db2.gz UAPYBBZMRFMFSU-SXLOBPIMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000676740303 1075672312 /nfs/dbraw/zinc/67/23/12/1075672312.db2.gz UAPYBBZMRFMFSU-SXLOBPIMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676740303 1075672318 /nfs/dbraw/zinc/67/23/18/1075672318.db2.gz UAPYBBZMRFMFSU-SXLOBPIMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676740303 1075672323 /nfs/dbraw/zinc/67/23/23/1075672323.db2.gz UAPYBBZMRFMFSU-SXLOBPIMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@H+]1Cc1ccccc1 ZINC000466709564 1075723262 /nfs/dbraw/zinc/72/32/62/1075723262.db2.gz DWAXOMJIOMMXAM-AEFFLSMTSA-N 2 1 404.474 1.985 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260801 1075727313 /nfs/dbraw/zinc/72/73/13/1075727313.db2.gz OFRYCIDIDGYIHN-HNNXBMFYSA-N 2 1 407.540 1.832 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260801 1075727318 /nfs/dbraw/zinc/72/73/18/1075727318.db2.gz OFRYCIDIDGYIHN-HNNXBMFYSA-N 2 1 407.540 1.832 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)n1 ZINC000428848757 1075735156 /nfs/dbraw/zinc/73/51/56/1075735156.db2.gz JRJQEYMSZFTZKB-UHFFFAOYSA-N 2 1 415.542 1.596 20 0 HDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442623203 1075765282 /nfs/dbraw/zinc/76/52/82/1075765282.db2.gz RYCMNIFKZAZWRG-IBGZPJMESA-N 2 1 418.501 2.186 20 0 HDADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442623205 1075766688 /nfs/dbraw/zinc/76/66/88/1075766688.db2.gz RYCMNIFKZAZWRG-LJQANCHMSA-N 2 1 418.501 2.186 20 0 HDADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181021 1075868499 /nfs/dbraw/zinc/86/84/99/1075868499.db2.gz AQNYRVAEZCNRCR-LJQANCHMSA-N 2 1 408.587 1.279 20 0 HDADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611180902 1075868626 /nfs/dbraw/zinc/86/86/26/1075868626.db2.gz FQFFGCKZYOQHCH-AWEZNQCLSA-N 2 1 407.481 1.253 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@@H]54)o3)[C@H]2C1 ZINC000493468379 1075991622 /nfs/dbraw/zinc/99/16/22/1075991622.db2.gz WFORHTDPXAVEEW-MHORFTMASA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@@H]54)o3)[C@H]2C1 ZINC000493468379 1075991626 /nfs/dbraw/zinc/99/16/26/1075991626.db2.gz WFORHTDPXAVEEW-MHORFTMASA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@@H]54)o3)[C@H]2C1 ZINC000493468379 1075991629 /nfs/dbraw/zinc/99/16/29/1075991629.db2.gz WFORHTDPXAVEEW-MHORFTMASA-N 2 1 400.523 1.612 20 0 HDADMP NC(=O)COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000731040777 1076716908 /nfs/dbraw/zinc/71/69/08/1076716908.db2.gz AKVXIVQHSFVRBW-HXUWFJFHSA-N 2 1 410.518 1.538 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC001164681207 719632338 /nfs/dbraw/zinc/63/23/38/719632338.db2.gz DBCMZIXPWJJEDN-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC001164681207 719632351 /nfs/dbraw/zinc/63/23/51/719632351.db2.gz DBCMZIXPWJJEDN-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164834982 720552646 /nfs/dbraw/zinc/55/26/46/720552646.db2.gz GGAPEHBIPKEAJO-UFYCRDLUSA-N 2 1 410.570 1.461 20 0 HDADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739622 720662738 /nfs/dbraw/zinc/66/27/38/720662738.db2.gz OHGYRCVMOBFEPT-HOTGVXAUSA-N 2 1 415.929 1.729 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2N1 ZINC001164737718 720830351 /nfs/dbraw/zinc/83/03/51/720830351.db2.gz CGTJOVAJENAXNO-BRWVUGGUSA-N 2 1 409.494 1.383 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1 ZINC001164737718 720830354 /nfs/dbraw/zinc/83/03/54/720830354.db2.gz CGTJOVAJENAXNO-BRWVUGGUSA-N 2 1 409.494 1.383 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164865854 721058637 /nfs/dbraw/zinc/05/86/37/721058637.db2.gz APAGUGFJMNNBPW-JKSUJKDBSA-N 2 1 400.914 1.650 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C4C[NH2+]C4)ncn3)C2)C1 ZINC001164785337 721376739 /nfs/dbraw/zinc/37/67/39/721376739.db2.gz RDQPGVLTKNGKFE-JOCHJYFZSA-N 2 1 412.538 1.887 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C4C[NH2+]C4)ncn3)C2)C1 ZINC001164785337 721376745 /nfs/dbraw/zinc/37/67/45/721376745.db2.gz RDQPGVLTKNGKFE-JOCHJYFZSA-N 2 1 412.538 1.887 20 0 HDADMP C[NH+]1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)n2)CC1 ZINC001164958166 722051126 /nfs/dbraw/zinc/05/11/26/722051126.db2.gz DFSSBQAKHNYDMI-UEXGIBASSA-N 2 1 409.538 1.529 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978369 722102053 /nfs/dbraw/zinc/10/20/53/722102053.db2.gz GTATXHBIQMTXIR-RTWAWAEBSA-N 2 1 423.565 1.351 20 0 HDADMP Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]C2 ZINC001164984763 722104680 /nfs/dbraw/zinc/10/46/80/722104680.db2.gz UWYFRSXLZVDEJG-LPHOPBHVSA-N 2 1 414.941 1.898 20 0 HDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429049280 1073469193 /nfs/dbraw/zinc/46/91/93/1073469193.db2.gz UMUKNXZUYGINAD-FGZHOGPDSA-N 2 1 416.566 1.641 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000673661527 1073615443 /nfs/dbraw/zinc/61/54/43/1073615443.db2.gz HBMWPAABYWFHAA-NRFANRHFSA-N 2 1 409.534 1.654 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000673661527 1073615455 /nfs/dbraw/zinc/61/54/55/1073615455.db2.gz HBMWPAABYWFHAA-NRFANRHFSA-N 2 1 409.534 1.654 20 0 HDADMP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670487 1073623874 /nfs/dbraw/zinc/62/38/74/1073623874.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670487 1073623878 /nfs/dbraw/zinc/62/38/78/1073623878.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670487 1073623883 /nfs/dbraw/zinc/62/38/83/1073623883.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623889 /nfs/dbraw/zinc/62/38/89/1073623889.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623895 /nfs/dbraw/zinc/62/38/95/1073623895.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 1 400.567 1.250 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cn1 ZINC000673871218 1073836651 /nfs/dbraw/zinc/83/66/51/1073836651.db2.gz ZMESWGQMDIFIOO-UHFFFAOYSA-N 2 1 413.570 1.774 20 0 HDADMP Cc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674132534 1074188363 /nfs/dbraw/zinc/18/83/63/1074188363.db2.gz WQKJDCMCOSQSKG-GOSISDBHSA-N 2 1 424.549 1.358 20 0 HDADMP COC1CC[NH+](CCNC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)CC1 ZINC000674310319 1074269004 /nfs/dbraw/zinc/26/90/04/1074269004.db2.gz DQFIZRLYRLWUEM-UHFFFAOYSA-N 2 1 412.538 1.404 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000674327074 1074276429 /nfs/dbraw/zinc/27/64/29/1074276429.db2.gz KYGZGVOQIVWEHJ-UHFFFAOYSA-N 2 1 404.559 1.004 20 0 HDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484099 1074570199 /nfs/dbraw/zinc/57/01/99/1074570199.db2.gz VTQVHPOTWZUUPS-NRFANRHFSA-N 2 1 416.566 1.240 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103081 1074719862 /nfs/dbraw/zinc/71/98/62/1074719862.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103081 1074719866 /nfs/dbraw/zinc/71/98/66/1074719866.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103081 1074719871 /nfs/dbraw/zinc/71/98/71/1074719871.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 2 1 415.582 1.355 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000477103209 1074801142 /nfs/dbraw/zinc/80/11/42/1074801142.db2.gz UYDWTBRPZBTUDH-UYAOXDASSA-N 2 1 404.555 1.240 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509328654 1075113327 /nfs/dbraw/zinc/11/33/27/1075113327.db2.gz STHUGOSQZWJRHH-ROUUACIJSA-N 2 1 411.591 1.070 20 0 HDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165361 1075200822 /nfs/dbraw/zinc/20/08/22/1075200822.db2.gz FPGFRTOQBQYFLU-IJEWVQPXSA-N 2 1 403.570 1.546 20 0 HDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165361 1075200825 /nfs/dbraw/zinc/20/08/25/1075200825.db2.gz FPGFRTOQBQYFLU-IJEWVQPXSA-N 2 1 403.570 1.546 20 0 HDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cn2)CC1 ZINC000675552496 1075207414 /nfs/dbraw/zinc/20/74/14/1075207414.db2.gz GEDNCYHAJIVBKQ-MSOLQXFVSA-N 2 1 409.456 1.853 20 0 HDADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C(C)C ZINC000429364463 1075221985 /nfs/dbraw/zinc/22/19/85/1075221985.db2.gz GFQQWHDJPRBYPI-ICSRJNTNSA-N 2 1 409.571 1.657 20 0 HDADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C(C)C ZINC000429364463 1075221989 /nfs/dbraw/zinc/22/19/89/1075221989.db2.gz GFQQWHDJPRBYPI-ICSRJNTNSA-N 2 1 409.571 1.657 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000676094770 1075355654 /nfs/dbraw/zinc/35/56/54/1075355654.db2.gz QFASDALXTOMAES-UHFFFAOYSA-N 2 1 412.538 1.506 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000676094770 1075355660 /nfs/dbraw/zinc/35/56/60/1075355660.db2.gz QFASDALXTOMAES-UHFFFAOYSA-N 2 1 412.538 1.506 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474382 1075361034 /nfs/dbraw/zinc/36/10/34/1075361034.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474382 1075361039 /nfs/dbraw/zinc/36/10/39/1075361039.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474382 1075361042 /nfs/dbraw/zinc/36/10/42/1075361042.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 2 1 410.522 1.157 20 0 HDADMP O=C(N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676186140 1075425258 /nfs/dbraw/zinc/42/52/58/1075425258.db2.gz GJSKWTUSDJOAGX-FYYLOGMGSA-N 2 1 401.551 1.727 20 0 HDADMP O=C(N1CC[C@H](OCC[NH+]2CCCCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676186142 1075425402 /nfs/dbraw/zinc/42/54/02/1075425402.db2.gz GJSKWTUSDJOAGX-GMAHTHKFSA-N 2 1 401.551 1.727 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278411 1075481334 /nfs/dbraw/zinc/48/13/34/1075481334.db2.gz HOERIPKGXNZCGO-CXAGYDPISA-N 2 1 412.918 1.054 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278411 1075481338 /nfs/dbraw/zinc/48/13/38/1075481338.db2.gz HOERIPKGXNZCGO-CXAGYDPISA-N 2 1 412.918 1.054 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281205 1075487214 /nfs/dbraw/zinc/48/72/14/1075487214.db2.gz VIZBUMHBQRNIJG-APWZRJJASA-N 2 1 420.579 1.052 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281205 1075487217 /nfs/dbraw/zinc/48/72/17/1075487217.db2.gz VIZBUMHBQRNIJG-APWZRJJASA-N 2 1 420.579 1.052 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281207 1075487230 /nfs/dbraw/zinc/48/72/30/1075487230.db2.gz VIZBUMHBQRNIJG-LPHOPBHVSA-N 2 1 420.579 1.052 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281207 1075487232 /nfs/dbraw/zinc/48/72/32/1075487232.db2.gz VIZBUMHBQRNIJG-LPHOPBHVSA-N 2 1 420.579 1.052 20 0 HDADMP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000732229683 1075684405 /nfs/dbraw/zinc/68/44/05/1075684405.db2.gz YEVVOGUJUZJBLQ-JKSUJKDBSA-N 2 1 418.991 1.531 20 0 HDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000732233216 1075685448 /nfs/dbraw/zinc/68/54/48/1075685448.db2.gz YGJBAFOFNJKUBI-OALUTQOASA-N 2 1 403.527 1.369 20 0 HDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000732233216 1075685454 /nfs/dbraw/zinc/68/54/54/1075685454.db2.gz YGJBAFOFNJKUBI-OALUTQOASA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000732233216 1075685459 /nfs/dbraw/zinc/68/54/59/1075685459.db2.gz YGJBAFOFNJKUBI-OALUTQOASA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000732233216 1075685463 /nfs/dbraw/zinc/68/54/63/1075685463.db2.gz YGJBAFOFNJKUBI-OALUTQOASA-N 2 1 403.527 1.369 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)oc1C ZINC000732257543 1075688717 /nfs/dbraw/zinc/68/87/17/1075688717.db2.gz SATGTFFFDUYXNG-RBUKOAKNSA-N 2 1 405.543 1.666 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)oc1C ZINC000732257543 1075688718 /nfs/dbraw/zinc/68/87/18/1075688718.db2.gz SATGTFFFDUYXNG-RBUKOAKNSA-N 2 1 405.543 1.666 20 0 HDADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000467676049 1075787967 /nfs/dbraw/zinc/78/79/67/1075787967.db2.gz MNCSDEJGWZEDDM-RTWAWAEBSA-N 2 1 413.566 1.458 20 0 HDADMP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306804 1075799570 /nfs/dbraw/zinc/79/95/70/1075799570.db2.gz CAORARGBMSYGDE-HOTGVXAUSA-N 2 1 401.477 1.988 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128541 1075979200 /nfs/dbraw/zinc/97/92/00/1075979200.db2.gz VMACKEXAJPQBGW-MOPGFXCFSA-N 2 1 413.566 1.710 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000493266791 1075990859 /nfs/dbraw/zinc/99/08/59/1075990859.db2.gz ZRUYNWCHVMNCCG-RTBURBONSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c(C)cn1C ZINC000493266791 1075990862 /nfs/dbraw/zinc/99/08/62/1075990862.db2.gz ZRUYNWCHVMNCCG-RTBURBONSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC)c(C)cn1C ZINC000493266791 1075990864 /nfs/dbraw/zinc/99/08/64/1075990864.db2.gz ZRUYNWCHVMNCCG-RTBURBONSA-N 2 1 417.598 1.691 20 0 HDADMP C[N@@H+](CCCO)C1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000536209202 1076256310 /nfs/dbraw/zinc/25/63/10/1076256310.db2.gz RLILFKFHJIEMSZ-UHFFFAOYSA-N 2 1 402.583 1.894 20 0 HDADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164416529 718884879 /nfs/dbraw/zinc/88/48/79/718884879.db2.gz YRMQLHGCJXSZPG-UHFFFAOYSA-N 2 1 416.533 1.725 20 0 HDADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164416529 718884882 /nfs/dbraw/zinc/88/48/82/718884882.db2.gz YRMQLHGCJXSZPG-UHFFFAOYSA-N 2 1 416.533 1.725 20 0 HDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCO[C@]4(C[NH2+]CCOC4)C3)C2)cc1 ZINC001164423813 718914282 /nfs/dbraw/zinc/91/42/82/718914282.db2.gz JOZUQOPANXGEGC-HSZRJFAPSA-N 2 1 409.534 1.620 20 0 HDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCO[C@]4(C[NH2+]CCOC4)C3)C2)cc1 ZINC001164423813 718914284 /nfs/dbraw/zinc/91/42/84/718914284.db2.gz JOZUQOPANXGEGC-HSZRJFAPSA-N 2 1 409.534 1.620 20 0 HDADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817147 720185379 /nfs/dbraw/zinc/18/53/79/720185379.db2.gz OGEBOMZIMLDDPH-UGKGYDQZSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817147 720185387 /nfs/dbraw/zinc/18/53/87/720185387.db2.gz OGEBOMZIMLDDPH-UGKGYDQZSA-N 2 1 400.571 1.413 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164723711 720294785 /nfs/dbraw/zinc/29/47/85/720294785.db2.gz XBIHLXPMVQGHMX-QFIPXVFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164723711 720294794 /nfs/dbraw/zinc/29/47/94/720294794.db2.gz XBIHLXPMVQGHMX-QFIPXVFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164723711 720294800 /nfs/dbraw/zinc/29/48/00/720294800.db2.gz XBIHLXPMVQGHMX-QFIPXVFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1 ZINC001164723711 720294809 /nfs/dbraw/zinc/29/48/09/720294809.db2.gz XBIHLXPMVQGHMX-QFIPXVFZSA-N 2 1 401.555 1.341 20 0 HDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001164827245 720327155 /nfs/dbraw/zinc/32/71/55/720327155.db2.gz HIJQPJVIXVBRFZ-RTBURBONSA-N 2 1 414.554 1.225 20 0 HDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744172 720809829 /nfs/dbraw/zinc/80/98/29/720809829.db2.gz HQVFTXPKTWXMRZ-LVCYWYKZSA-N 2 1 408.554 1.136 20 0 HDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743610 720840878 /nfs/dbraw/zinc/84/08/78/720840878.db2.gz JPZIRZIMSNKOEH-BAGYTPMASA-N 2 1 422.581 1.462 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]2C1 ZINC001164860159 720869734 /nfs/dbraw/zinc/86/97/34/720869734.db2.gz VQRKLQMJAFQMMA-VQTJNVASSA-N 2 1 404.555 1.730 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164853354 720886780 /nfs/dbraw/zinc/88/67/80/720886780.db2.gz CAXGAOAQBBGTDE-GHTZIAJQSA-N 3 1 404.555 1.728 20 0 HDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1 ZINC001164853354 720886781 /nfs/dbraw/zinc/88/67/81/720886781.db2.gz CAXGAOAQBBGTDE-GHTZIAJQSA-N 2 1 404.555 1.728 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@H]2C1 ZINC001164853354 720886783 /nfs/dbraw/zinc/88/67/83/720886783.db2.gz CAXGAOAQBBGTDE-GHTZIAJQSA-N 2 1 404.555 1.728 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164870255 721126055 /nfs/dbraw/zinc/12/60/55/721126055.db2.gz CBAGYZKATDCCDO-RTWAWAEBSA-N 2 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164870255 721126072 /nfs/dbraw/zinc/12/60/72/721126072.db2.gz CBAGYZKATDCCDO-RTWAWAEBSA-N 3 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164870255 721126086 /nfs/dbraw/zinc/12/60/86/721126086.db2.gz CBAGYZKATDCCDO-RTWAWAEBSA-N 3 1 408.550 1.884 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164800348 721570049 /nfs/dbraw/zinc/57/00/49/721570049.db2.gz FCUZZHMQENITQL-MQSCRBSSSA-N 2 1 408.550 1.754 20 0 HDADMP Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164986004 722100002 /nfs/dbraw/zinc/10/00/02/722100002.db2.gz XQWRGKLQOHOBMZ-VQIMIIECSA-N 2 1 414.941 1.898 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977261 722105747 /nfs/dbraw/zinc/10/57/47/722105747.db2.gz FLUQSCKJUNPYKE-VQTJNVASSA-N 2 1 409.538 1.009 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)CC1 ZINC001165001585 722236736 /nfs/dbraw/zinc/23/67/36/722236736.db2.gz JLXBRVLGIVRBLT-UHFFFAOYSA-N 3 1 422.581 1.156 20 0 HDADMP C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CCC2 ZINC001165002240 722254920 /nfs/dbraw/zinc/25/49/20/722254920.db2.gz LWTXPQFYCQAYRN-UHFFFAOYSA-N 3 1 414.558 1.089 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000505732214 1074030087 /nfs/dbraw/zinc/03/00/87/1074030087.db2.gz VBDMOJIKHHAQDO-GOSISDBHSA-N 2 1 410.584 1.425 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000674333369 1074287490 /nfs/dbraw/zinc/28/74/90/1074287490.db2.gz WORNMYWMSNJIQF-UHFFFAOYSA-N 2 1 416.632 1.647 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581680 1075212555 /nfs/dbraw/zinc/21/25/55/1075212555.db2.gz HHXROGWMOKOLAA-VQTJNVASSA-N 2 1 407.603 1.835 20 0 HDADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000675749892 1075264058 /nfs/dbraw/zinc/26/40/58/1075264058.db2.gz VXZFZCXSWWSSSR-KRWDZBQOSA-N 2 1 405.506 1.901 20 0 HDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000676096447 1075359166 /nfs/dbraw/zinc/35/91/66/1075359166.db2.gz LMSOHIHRGAMUJO-LPHOPBHVSA-N 2 1 414.510 1.459 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474380 1075361248 /nfs/dbraw/zinc/36/12/48/1075361248.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 2 1 410.522 1.157 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000676097885 1075361263 /nfs/dbraw/zinc/36/12/63/1075361263.db2.gz XJKPDOOCXVZPRL-YJBOKZPZSA-N 2 1 418.567 1.644 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474380 1075361253 /nfs/dbraw/zinc/36/12/53/1075361253.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474380 1075361260 /nfs/dbraw/zinc/36/12/60/1075361260.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000509392879 1075449348 /nfs/dbraw/zinc/44/93/48/1075449348.db2.gz MCGFBTBDONQZBU-UHFFFAOYSA-N 2 1 417.579 1.483 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281209 1075487295 /nfs/dbraw/zinc/48/72/95/1075487295.db2.gz VIZBUMHBQRNIJG-QFBILLFUSA-N 2 1 420.579 1.052 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281209 1075487297 /nfs/dbraw/zinc/48/72/97/1075487297.db2.gz VIZBUMHBQRNIJG-QFBILLFUSA-N 2 1 420.579 1.052 20 0 HDADMP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676294973 1075498524 /nfs/dbraw/zinc/49/85/24/1075498524.db2.gz GWKTWACEAJFHJS-NSHGMRRFSA-N 2 1 404.555 1.905 20 0 HDADMP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676294973 1075498528 /nfs/dbraw/zinc/49/85/28/1075498528.db2.gz GWKTWACEAJFHJS-NSHGMRRFSA-N 2 1 404.555 1.905 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc2)CC1 ZINC000731762062 1075516468 /nfs/dbraw/zinc/51/64/68/1075516468.db2.gz ZUXZRHVAFYJUDX-UHFFFAOYSA-N 2 1 416.570 1.503 20 0 HDADMP Cc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676344396 1075518598 /nfs/dbraw/zinc/51/85/98/1075518598.db2.gz CCJNZHIZEAZYTQ-IBGZPJMESA-N 2 1 424.549 1.547 20 0 HDADMP c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000676686505 1075647998 /nfs/dbraw/zinc/64/79/98/1075647998.db2.gz NEOJTLACKVNXKP-PMACEKPBSA-N 2 1 416.570 1.079 20 0 HDADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000511719901 1075734225 /nfs/dbraw/zinc/73/42/25/1075734225.db2.gz BNNFVDOWVLGMEK-YLJYHZDGSA-N 2 1 424.549 1.868 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000509264539 1075760836 /nfs/dbraw/zinc/76/08/36/1075760836.db2.gz QTNVHISFYXDTKA-UHFFFAOYSA-N 2 1 401.555 1.240 20 0 HDADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181241 1075867830 /nfs/dbraw/zinc/86/78/30/1075867830.db2.gz WOQNWCWEBIEAGM-IBGZPJMESA-N 2 1 415.582 1.891 20 0 HDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000511822855 1075999039 /nfs/dbraw/zinc/99/90/39/1075999039.db2.gz IVGLAGIZBNJMKJ-MQSCRBSSSA-N 2 1 404.599 1.206 20 0 HDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000729882960 1076376448 /nfs/dbraw/zinc/37/64/48/1076376448.db2.gz WJZXOJNHOSVKQK-UHFFFAOYSA-N 2 1 412.494 1.275 20 0 HDADMP CCOC(=O)N1CCc2nnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164679573 719641165 /nfs/dbraw/zinc/64/11/65/719641165.db2.gz HKEDROBYWLBXDH-UHFFFAOYSA-N 2 1 413.526 1.663 20 0 HDADMP CCOC(=O)N1CCc2nnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164679573 719641174 /nfs/dbraw/zinc/64/11/74/719641174.db2.gz HKEDROBYWLBXDH-UHFFFAOYSA-N 2 1 413.526 1.663 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819447 720172559 /nfs/dbraw/zinc/17/25/59/720172559.db2.gz XCHBQPZBQYAYGY-XMSQKQJNSA-N 2 1 401.555 1.792 20 0 HDADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748704 720804178 /nfs/dbraw/zinc/80/41/78/720804178.db2.gz RBICSKRDDCPXTR-QUCCMNQESA-N 2 1 410.522 1.592 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867652 721109909 /nfs/dbraw/zinc/10/99/09/721109909.db2.gz ZGCMEKHRJZFRGY-RTWAWAEBSA-N 2 1 408.550 1.708 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164870257 721124952 /nfs/dbraw/zinc/12/49/52/721124952.db2.gz CBAGYZKATDCCDO-SFTDATJTSA-N 2 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164870257 721124970 /nfs/dbraw/zinc/12/49/70/721124970.db2.gz CBAGYZKATDCCDO-SFTDATJTSA-N 3 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164870257 721124990 /nfs/dbraw/zinc/12/49/90/721124990.db2.gz CBAGYZKATDCCDO-SFTDATJTSA-N 3 1 408.550 1.884 20 0 HDADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894413 721426849 /nfs/dbraw/zinc/42/68/49/721426849.db2.gz MKFQOSTUDJOQLS-GGAORHGYSA-N 2 1 414.598 1.257 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806631 721536917 /nfs/dbraw/zinc/53/69/17/721536917.db2.gz PJPCWZWIAOUFLZ-NNMXDRDESA-N 2 1 409.538 1.149 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809390 721558588 /nfs/dbraw/zinc/55/85/88/721558588.db2.gz WVMTVHDANVJEQW-KNKQGSTJSA-N 2 1 409.538 1.149 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809390 721558592 /nfs/dbraw/zinc/55/85/92/721558592.db2.gz WVMTVHDANVJEQW-KNKQGSTJSA-N 2 1 409.538 1.149 20 0 HDADMP C[NH+]1CCN(c2nccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n2)CC1 ZINC001165013792 721766708 /nfs/dbraw/zinc/76/67/08/721766708.db2.gz AIVJITJABSFRSJ-UHFFFAOYSA-N 2 1 420.525 1.047 20 0 HDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)ccn1 ZINC001164961936 722051709 /nfs/dbraw/zinc/05/17/09/722051709.db2.gz ZFKJVOSLWJQYTM-UHFFFAOYSA-N 2 1 408.550 1.679 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000673656320 1073587315 /nfs/dbraw/zinc/58/73/15/1073587315.db2.gz FHNFHRJXAVVUEN-OAQYLSRUSA-N 2 1 409.534 1.654 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000673656320 1073587322 /nfs/dbraw/zinc/58/73/22/1073587322.db2.gz FHNFHRJXAVVUEN-OAQYLSRUSA-N 2 1 409.534 1.654 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)NCCCN3CCC[N@H+](C)CC3)CC2)c1 ZINC000673670683 1073626864 /nfs/dbraw/zinc/62/68/64/1073626864.db2.gz MPQYKABLIZGIBQ-UHFFFAOYSA-N 2 1 401.599 1.651 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)NCCC[N@H+]3CCCN(C)CC3)CC2)c1 ZINC000673670683 1073626869 /nfs/dbraw/zinc/62/68/69/1073626869.db2.gz MPQYKABLIZGIBQ-UHFFFAOYSA-N 2 1 401.599 1.651 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)NCCC[N@@H+]3CCCN(C)CC3)CC2)c1 ZINC000673670683 1073626873 /nfs/dbraw/zinc/62/68/73/1073626873.db2.gz MPQYKABLIZGIBQ-UHFFFAOYSA-N 2 1 401.599 1.651 20 0 HDADMP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000673769736 1073713069 /nfs/dbraw/zinc/71/30/69/1073713069.db2.gz UYRFVYDQRRFZSI-IBGZPJMESA-N 2 1 401.555 1.457 20 0 HDADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000673769736 1073713075 /nfs/dbraw/zinc/71/30/75/1073713075.db2.gz UYRFVYDQRRFZSI-IBGZPJMESA-N 2 1 401.555 1.457 20 0 HDADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673866436 1073843621 /nfs/dbraw/zinc/84/36/21/1073843621.db2.gz CIHNYEJLDSQDES-UHFFFAOYSA-N 2 1 413.570 1.904 20 0 HDADMP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543521521 1073979923 /nfs/dbraw/zinc/97/99/23/1073979923.db2.gz GGIIJJGPFTWBHM-UHFFFAOYSA-N 2 1 415.582 1.724 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000505732215 1074030143 /nfs/dbraw/zinc/03/01/43/1074030143.db2.gz VBDMOJIKHHAQDO-SFHVURJKSA-N 2 1 410.584 1.425 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101281 1074798744 /nfs/dbraw/zinc/79/87/44/1074798744.db2.gz QDIKEFYTWKXXCL-GBESFXJTSA-N 2 1 410.603 1.571 20 0 HDADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1OC ZINC000429352708 1075170763 /nfs/dbraw/zinc/17/07/63/1075170763.db2.gz IJARQZNSBOVNDP-QGZVFWFLSA-N 2 1 408.543 1.946 20 0 HDADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1OC ZINC000429352708 1075170766 /nfs/dbraw/zinc/17/07/66/1075170766.db2.gz IJARQZNSBOVNDP-QGZVFWFLSA-N 2 1 408.543 1.946 20 0 HDADMP CN(C(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000675605855 1075222701 /nfs/dbraw/zinc/22/27/01/1075222701.db2.gz ZMLRTDUOLNRNLU-RTBURBONSA-N 2 1 411.550 1.699 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000676095684 1075357419 /nfs/dbraw/zinc/35/74/19/1075357419.db2.gz TWKQBJHCLVBGID-VCSGRIEYSA-N 2 1 424.549 1.695 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000676097884 1075361101 /nfs/dbraw/zinc/36/11/01/1075361101.db2.gz XJKPDOOCXVZPRL-QAPCUYQASA-N 2 1 418.567 1.644 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000676129447 1075389989 /nfs/dbraw/zinc/38/99/89/1075389989.db2.gz KQBUJNHLBUEWBL-AZUAARDMSA-N 2 1 400.527 1.449 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676279063 1075478653 /nfs/dbraw/zinc/47/86/53/1075478653.db2.gz LUKBYESFOCBAFD-YLJYHZDGSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279063 1075478655 /nfs/dbraw/zinc/47/86/55/1075478655.db2.gz LUKBYESFOCBAFD-YLJYHZDGSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279060 1075478700 /nfs/dbraw/zinc/47/87/00/1075478700.db2.gz LUKBYESFOCBAFD-XLIONFOSSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279060 1075478702 /nfs/dbraw/zinc/47/87/02/1075478702.db2.gz LUKBYESFOCBAFD-XLIONFOSSA-N 2 1 402.539 1.692 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307095 1075694645 /nfs/dbraw/zinc/69/46/45/1075694645.db2.gz CFRLSFQULZZTFA-AZUAARDMSA-N 2 1 416.566 1.923 20 0 HDADMP C[NH+]1CCN([C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307487 1075695773 /nfs/dbraw/zinc/69/57/73/1075695773.db2.gz HDFFPLLFTRFSHR-FGZHOGPDSA-N 2 1 400.567 1.735 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000509436955 1075707353 /nfs/dbraw/zinc/70/73/53/1075707353.db2.gz NGOLCHQTKYAUTG-UHFFFAOYSA-N 2 1 403.571 1.834 20 0 HDADMP CC[N@@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000804223763 1075775440 /nfs/dbraw/zinc/77/54/40/1075775440.db2.gz HIIVVFZNBWYYKK-UHFFFAOYSA-N 2 1 401.555 1.438 20 0 HDADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427588981 1075824280 /nfs/dbraw/zinc/82/42/80/1075824280.db2.gz VTRUYWSDRZLYTD-SFHVURJKSA-N 2 1 404.559 1.715 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128542 1075979164 /nfs/dbraw/zinc/97/91/64/1075979164.db2.gz VMACKEXAJPQBGW-OALUTQOASA-N 2 1 413.566 1.710 20 0 HDADMP C[C@@H]1C[N@H+](C[C@H](O)CN2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002615 /nfs/dbraw/zinc/00/26/15/1076002615.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 1 416.610 1.349 20 0 HDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002622 /nfs/dbraw/zinc/00/26/22/1076002622.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 1 416.610 1.349 20 0 HDADMP C[C@@H]1C[NH+](C[C@H](O)CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002626 /nfs/dbraw/zinc/00/26/26/1076002626.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 1 416.610 1.349 20 0 HDADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733296276 1076041966 /nfs/dbraw/zinc/04/19/66/1076041966.db2.gz KJQSXBIOWGWTFW-HSZRJFAPSA-N 2 1 411.550 1.701 20 0 HDADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733296280 1076042127 /nfs/dbraw/zinc/04/21/27/1076042127.db2.gz KJQSXBIOWGWTFW-QHCPKHFHSA-N 2 1 411.550 1.701 20 0 HDADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169732 1076068351 /nfs/dbraw/zinc/06/83/51/1076068351.db2.gz MSYQNULFDGMLJR-NZQKXSOJSA-N 2 1 411.550 1.701 20 0 HDADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169733 1076068464 /nfs/dbraw/zinc/06/84/64/1076068464.db2.gz MSYQNULFDGMLJR-OFNKIYASSA-N 2 1 411.550 1.701 20 0 HDADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000733669504 1076149522 /nfs/dbraw/zinc/14/95/22/1076149522.db2.gz KCTKDIHEMZRZNE-SFHVURJKSA-N 2 1 401.555 1.758 20 0 HDADMP CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@@H]3CC[N@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528421 1076236389 /nfs/dbraw/zinc/23/63/89/1076236389.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@H]3CC[N@@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528421 1076236394 /nfs/dbraw/zinc/23/63/94/1076236394.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@H]3CC[N@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528421 1076236401 /nfs/dbraw/zinc/23/64/01/1076236401.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 2 1 400.575 1.831 20 0 HDADMP COC(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C(=O)OC ZINC001164685295 719608225 /nfs/dbraw/zinc/60/82/25/719608225.db2.gz UWUIPQRNBMCBFH-UHFFFAOYSA-N 2 1 401.467 1.326 20 0 HDADMP COC(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C(=O)OC ZINC001164685295 719608230 /nfs/dbraw/zinc/60/82/30/719608230.db2.gz UWUIPQRNBMCBFH-UHFFFAOYSA-N 2 1 401.467 1.326 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)NC3CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679833 719641914 /nfs/dbraw/zinc/64/19/14/719641914.db2.gz OSOQXCONYFZSKI-UHFFFAOYSA-N 2 1 404.540 1.194 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)NC3CC3)cn2)c2c1CC[NH2+]C2 ZINC001164679833 719641920 /nfs/dbraw/zinc/64/19/20/719641920.db2.gz OSOQXCONYFZSKI-UHFFFAOYSA-N 2 1 404.540 1.194 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819439 720172937 /nfs/dbraw/zinc/17/29/37/720172937.db2.gz XCHBQPZBQYAYGY-AVRDEDQJSA-N 2 1 401.555 1.792 20 0 HDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744170 720809920 /nfs/dbraw/zinc/80/99/20/720809920.db2.gz HQVFTXPKTWXMRZ-DBXWQHBBSA-N 2 1 408.554 1.136 20 0 HDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164746637 720840555 /nfs/dbraw/zinc/84/05/55/720840555.db2.gz PUHXZKMGPQZBQG-PCCBWWKXSA-N 2 1 423.565 1.889 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867653 721110821 /nfs/dbraw/zinc/11/08/21/721110821.db2.gz ZGCMEKHRJZFRGY-SFTDATJTSA-N 2 1 408.550 1.708 20 0 HDADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164881153 721174174 /nfs/dbraw/zinc/17/41/74/721174174.db2.gz ZHFRQDOXYNOHPX-SFTDATJTSA-N 2 1 424.549 1.730 20 0 HDADMP Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890971 721453102 /nfs/dbraw/zinc/45/31/02/721453102.db2.gz TXJTYCRSCOIXEQ-DENIHFKCSA-N 2 1 400.571 1.237 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971866 722122679 /nfs/dbraw/zinc/12/26/79/722122679.db2.gz CXVKHJRSZXHPOI-PMACEKPBSA-N 2 1 409.538 1.009 20 0 HDADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429103358 1073580979 /nfs/dbraw/zinc/58/09/79/1073580979.db2.gz MXCYJIJHHWKADQ-OAQYLSRUSA-N 3 1 400.571 1.910 20 0 HDADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429103358 1073580990 /nfs/dbraw/zinc/58/09/90/1073580990.db2.gz MXCYJIJHHWKADQ-OAQYLSRUSA-N 2 1 400.571 1.910 20 0 HDADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429103358 1073581000 /nfs/dbraw/zinc/58/10/00/1073581000.db2.gz MXCYJIJHHWKADQ-OAQYLSRUSA-N 2 1 400.571 1.910 20 0 HDADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000673868768 1073845572 /nfs/dbraw/zinc/84/55/72/1073845572.db2.gz DJOLLJHDSHFMMZ-UHFFFAOYSA-N 2 1 419.574 1.243 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995653 /nfs/dbraw/zinc/99/56/53/1073995653.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995658 /nfs/dbraw/zinc/99/56/58/1073995658.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995661 /nfs/dbraw/zinc/99/56/61/1073995661.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 2 1 422.520 1.847 20 0 HDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000674686715 1074524147 /nfs/dbraw/zinc/52/41/47/1074524147.db2.gz BMLPKIXYYQVZDK-GOSISDBHSA-N 2 1 414.554 1.650 20 0 HDADMP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670481524 1074534676 /nfs/dbraw/zinc/53/46/76/1074534676.db2.gz MMXJHDTZWHTPPH-GOSISDBHSA-N 2 1 407.603 1.039 20 0 HDADMP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670481524 1074534683 /nfs/dbraw/zinc/53/46/83/1074534683.db2.gz MMXJHDTZWHTPPH-GOSISDBHSA-N 2 1 407.603 1.039 20 0 HDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000674914142 1074612495 /nfs/dbraw/zinc/61/24/95/1074612495.db2.gz LRDHXWYFWLRSET-UHFFFAOYSA-N 2 1 403.567 1.893 20 0 HDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000674914142 1074612503 /nfs/dbraw/zinc/61/25/03/1074612503.db2.gz LRDHXWYFWLRSET-UHFFFAOYSA-N 2 1 403.567 1.893 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079622 1074782065 /nfs/dbraw/zinc/78/20/65/1074782065.db2.gz BBWIUDFCGPWCTR-ZLGUVYLKSA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079622 1074782075 /nfs/dbraw/zinc/78/20/75/1074782075.db2.gz BBWIUDFCGPWCTR-ZLGUVYLKSA-N 2 1 416.566 1.936 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000429337005 1075104177 /nfs/dbraw/zinc/10/41/77/1075104177.db2.gz SDZAGBFZAYIFLE-QGZVFWFLSA-N 2 1 402.543 1.799 20 0 HDADMP C[C@H](CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1)[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000431614427 1075156785 /nfs/dbraw/zinc/15/67/85/1075156785.db2.gz ODSWNSWHQNVUJZ-SMIHKQSGSA-N 2 1 422.658 1.853 20 0 HDADMP C[C@H](CC[NH+]1CCC[C@@H](CN2CCOCC2)C1)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000431614427 1075156791 /nfs/dbraw/zinc/15/67/91/1075156791.db2.gz ODSWNSWHQNVUJZ-SMIHKQSGSA-N 2 1 422.658 1.853 20 0 HDADMP C[C@H](CC[NH+]1CCC[C@@H](CN2CCOCC2)C1)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000431614427 1075156795 /nfs/dbraw/zinc/15/67/95/1075156795.db2.gz ODSWNSWHQNVUJZ-SMIHKQSGSA-N 2 1 422.658 1.853 20 0 HDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675498135 1075179194 /nfs/dbraw/zinc/17/91/94/1075179194.db2.gz MTSUHZFPLWAQPR-HXUWFJFHSA-N 2 1 423.561 1.741 20 0 HDADMP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000675605850 1075222651 /nfs/dbraw/zinc/22/26/51/1075222651.db2.gz ZMLRTDUOLNRNLU-KDURUIRLSA-N 2 1 411.550 1.699 20 0 HDADMP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000675605850 1075222653 /nfs/dbraw/zinc/22/26/53/1075222653.db2.gz ZMLRTDUOLNRNLU-KDURUIRLSA-N 2 1 411.550 1.699 20 0 HDADMP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000675605850 1075222655 /nfs/dbraw/zinc/22/26/55/1075222655.db2.gz ZMLRTDUOLNRNLU-KDURUIRLSA-N 2 1 411.550 1.699 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000676092991 1075377046 /nfs/dbraw/zinc/37/70/46/1075377046.db2.gz AWAWBXNVOOMXPY-MRXNPFEDSA-N 2 1 418.567 1.473 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128846 1075388764 /nfs/dbraw/zinc/38/87/64/1075388764.db2.gz FPIOQARTKGUCPP-AZUAARDMSA-N 2 1 400.527 1.449 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307443 1075493073 /nfs/dbraw/zinc/49/30/73/1075493073.db2.gz PLJXRZFGZPFRJY-FPOVZHCZSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307443 1075493080 /nfs/dbraw/zinc/49/30/80/1075493080.db2.gz PLJXRZFGZPFRJY-FPOVZHCZSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307443 1075493083 /nfs/dbraw/zinc/49/30/83/1075493083.db2.gz PLJXRZFGZPFRJY-FPOVZHCZSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307443 1075493086 /nfs/dbraw/zinc/49/30/86/1075493086.db2.gz PLJXRZFGZPFRJY-FPOVZHCZSA-N 2 1 403.571 1.165 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509402315 1075496597 /nfs/dbraw/zinc/49/65/97/1075496597.db2.gz WFTTTZGGCWUXCV-HXUWFJFHSA-N 2 1 401.555 1.457 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451986 1075557567 /nfs/dbraw/zinc/55/75/67/1075557567.db2.gz LMVAOPPRUBCOHN-VQTJNVASSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451986 1075557571 /nfs/dbraw/zinc/55/75/71/1075557571.db2.gz LMVAOPPRUBCOHN-VQTJNVASSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451986 1075557575 /nfs/dbraw/zinc/55/75/75/1075557575.db2.gz LMVAOPPRUBCOHN-VQTJNVASSA-N 2 1 424.549 1.787 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732188916 1075654448 /nfs/dbraw/zinc/65/44/48/1075654448.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188916 1075654451 /nfs/dbraw/zinc/65/44/51/1075654451.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188916 1075654454 /nfs/dbraw/zinc/65/44/54/1075654454.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 2 1 411.550 1.699 20 0 HDADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181242 1075867894 /nfs/dbraw/zinc/86/78/94/1075867894.db2.gz WOQNWCWEBIEAGM-LJQANCHMSA-N 2 1 415.582 1.891 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000495127391 1076005648 /nfs/dbraw/zinc/00/56/48/1076005648.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495127391 1076005649 /nfs/dbraw/zinc/00/56/49/1076005649.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495127391 1076005655 /nfs/dbraw/zinc/00/56/55/1076005655.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 2 1 413.566 1.195 20 0 HDADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169734 1076068444 /nfs/dbraw/zinc/06/84/44/1076068444.db2.gz MSYQNULFDGMLJR-REWPJTCUSA-N 2 1 411.550 1.701 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@H]54)n3)[C@H]2C1 ZINC000498095082 1076353432 /nfs/dbraw/zinc/35/34/32/1076353432.db2.gz OPMVSHWQNYXVCS-ALFLXDJESA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@@H]54)n3)[C@@H]2C1 ZINC000498095082 1076353435 /nfs/dbraw/zinc/35/34/35/1076353435.db2.gz OPMVSHWQNYXVCS-ALFLXDJESA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@@H]54)n3)[C@@H]2C1 ZINC000498095082 1076353444 /nfs/dbraw/zinc/35/34/44/1076353444.db2.gz OPMVSHWQNYXVCS-ALFLXDJESA-N 2 1 411.550 1.414 20 0 HDADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000028888756 1076362237 /nfs/dbraw/zinc/36/22/37/1076362237.db2.gz JQYBILGWCGVTKF-FXAWDEMLSA-N 2 1 407.580 1.796 20 0 HDADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000028888768 1076362287 /nfs/dbraw/zinc/36/22/87/1076362287.db2.gz JQYBILGWCGVTKF-PXNSSMCTSA-N 2 1 407.580 1.796 20 0 HDADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC(=O)NC4(CC[NH2+]CC4)C3)c2c1C ZINC001164392382 718809672 /nfs/dbraw/zinc/80/96/72/718809672.db2.gz MFUUYTQAPUDNDS-UHFFFAOYSA-N 2 1 414.579 1.962 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ncc2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164682925 719623875 /nfs/dbraw/zinc/62/38/75/719623875.db2.gz PUZIESTWGOOLSI-UHFFFAOYSA-N 2 1 405.934 1.638 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ncc2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164682925 719623883 /nfs/dbraw/zinc/62/38/83/719623883.db2.gz PUZIESTWGOOLSI-UHFFFAOYSA-N 2 1 405.934 1.638 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164690053 719751612 /nfs/dbraw/zinc/75/16/12/719751612.db2.gz RIFJGYVMOZGHQG-UHFFFAOYSA-N 2 1 402.543 1.036 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164721959 720282380 /nfs/dbraw/zinc/28/23/80/720282380.db2.gz NSBWJVVADVKZQX-QFIPXVFZSA-N 2 1 401.555 1.342 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164721959 720282392 /nfs/dbraw/zinc/28/23/92/720282392.db2.gz NSBWJVVADVKZQX-QFIPXVFZSA-N 2 1 401.555 1.342 20 0 HDADMP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748703 720804171 /nfs/dbraw/zinc/80/41/71/720804171.db2.gz RBICSKRDDCPXTR-ICSRJNTNSA-N 2 1 410.522 1.592 20 0 HDADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748705 720804431 /nfs/dbraw/zinc/80/44/31/720804431.db2.gz RBICSKRDDCPXTR-UYAOXDASSA-N 2 1 410.522 1.592 20 0 HDADMP CCc1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853621 720865842 /nfs/dbraw/zinc/86/58/42/720865842.db2.gz HVICTRNQPZAMRN-MJGOQNOKSA-N 2 1 405.543 1.049 20 0 HDADMP CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853621 720865843 /nfs/dbraw/zinc/86/58/43/720865843.db2.gz HVICTRNQPZAMRN-MJGOQNOKSA-N 2 1 405.543 1.049 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867056 721052163 /nfs/dbraw/zinc/05/21/63/721052163.db2.gz HDVBQNQHCSURJD-UXHICEINSA-N 2 1 409.538 1.103 20 0 HDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164865343 721109998 /nfs/dbraw/zinc/10/99/98/721109998.db2.gz KFGJXYFALPEHEK-UXHICEINSA-N 2 1 422.533 1.002 20 0 HDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1 ZINC001164872142 721284321 /nfs/dbraw/zinc/28/43/21/721284321.db2.gz AYDAFQRBCLGAMB-UHFFFAOYSA-N 2 1 415.582 1.684 20 0 HDADMP Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890984 721453636 /nfs/dbraw/zinc/45/36/36/721453636.db2.gz TXJTYCRSCOIXEQ-SIKLNZKXSA-N 2 1 400.571 1.237 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164788602 721454878 /nfs/dbraw/zinc/45/48/78/721454878.db2.gz RREITJBAJQPWJL-IBGZPJMESA-N 2 1 415.582 1.856 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164899661 721513881 /nfs/dbraw/zinc/51/38/81/721513881.db2.gz LMCPBFMXANOGRX-QUCCMNQESA-N 2 1 412.513 1.709 20 0 HDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164961168 722053698 /nfs/dbraw/zinc/05/36/98/722053698.db2.gz TXZYESKULJDGHQ-UHFFFAOYSA-N 2 1 423.565 1.400 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)CC1 ZINC001164997640 722236041 /nfs/dbraw/zinc/23/60/41/722236041.db2.gz SQONAUSNUQVJRH-UHFFFAOYSA-N 2 1 408.554 1.091 20 0 HDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429056199 1073484668 /nfs/dbraw/zinc/48/46/68/1073484668.db2.gz YWOQZYGJPGSMJP-FQEVSTJZSA-N 2 1 402.539 1.747 20 0 HDADMP CN1CC[N@@H+](CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2ccccc2)C1 ZINC000673867908 1073833025 /nfs/dbraw/zinc/83/30/25/1073833025.db2.gz UBESXYASZDOUKA-NRFANRHFSA-N 2 1 413.570 1.945 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000673867908 1073833038 /nfs/dbraw/zinc/83/30/38/1073833038.db2.gz UBESXYASZDOUKA-NRFANRHFSA-N 2 1 413.570 1.945 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000673867908 1073833049 /nfs/dbraw/zinc/83/30/49/1073833049.db2.gz UBESXYASZDOUKA-NRFANRHFSA-N 2 1 413.570 1.945 20 0 HDADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)c2)CCO1 ZINC000673869049 1073834367 /nfs/dbraw/zinc/83/43/67/1073834367.db2.gz LAMFVBZLJNKAMR-KRWDZBQOSA-N 2 1 400.527 1.987 20 0 HDADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)c2)CCO1 ZINC000673869049 1073834378 /nfs/dbraw/zinc/83/43/78/1073834378.db2.gz LAMFVBZLJNKAMR-KRWDZBQOSA-N 2 1 400.527 1.987 20 0 HDADMP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543522932 1073992196 /nfs/dbraw/zinc/99/21/96/1073992196.db2.gz DPDATOSXKOCCQK-UHFFFAOYSA-N 2 1 417.554 1.693 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000674328444 1074278475 /nfs/dbraw/zinc/27/84/75/1074278475.db2.gz KLLNFYQHXZFTBB-UHFFFAOYSA-N 2 1 417.598 1.604 20 0 HDADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)cc1 ZINC000674913392 1074618800 /nfs/dbraw/zinc/61/88/00/1074618800.db2.gz SOQNESUKRSXZFE-UHFFFAOYSA-N 2 1 403.567 1.893 20 0 HDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)cc1 ZINC000674913392 1074618803 /nfs/dbraw/zinc/61/88/03/1074618803.db2.gz SOQNESUKRSXZFE-UHFFFAOYSA-N 2 1 403.567 1.893 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000477070237 1074779246 /nfs/dbraw/zinc/77/92/46/1074779246.db2.gz RVOZEKWDANSUIO-OALUTQOASA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000477099898 1074790302 /nfs/dbraw/zinc/79/03/02/1074790302.db2.gz LVXGOTUAMLHFRS-OAHLLOKOSA-N 2 1 407.559 1.466 20 0 HDADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527114 1075151189 /nfs/dbraw/zinc/15/11/89/1075151189.db2.gz ZDNZGPAJEFPBKU-OALUTQOASA-N 2 1 406.571 1.080 20 0 HDADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527114 1075151193 /nfs/dbraw/zinc/15/11/93/1075151193.db2.gz ZDNZGPAJEFPBKU-OALUTQOASA-N 2 1 406.571 1.080 20 0 HDADMP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000675884484 1075288814 /nfs/dbraw/zinc/28/88/14/1075288814.db2.gz ZQGYRRGCVOXRMO-HXUWFJFHSA-N 2 1 419.570 1.943 20 0 HDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096114 1075358216 /nfs/dbraw/zinc/35/82/16/1075358216.db2.gz GGLORVAABDAERO-FQEVSTJZSA-N 2 1 404.474 1.987 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000676097883 1075361169 /nfs/dbraw/zinc/36/11/69/1075361169.db2.gz XJKPDOOCXVZPRL-MAUKXSAKSA-N 2 1 418.567 1.644 20 0 HDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098907 1075363143 /nfs/dbraw/zinc/36/31/43/1075363143.db2.gz HFOPOCJUVRVALO-PXNSSMCTSA-N 2 1 412.538 1.410 20 0 HDADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090277 1075374895 /nfs/dbraw/zinc/37/48/95/1075374895.db2.gz ORAXKBOHAKUBOL-UHFFFAOYSA-N 2 1 400.527 1.540 20 0 HDADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243383 1075445850 /nfs/dbraw/zinc/44/58/50/1075445850.db2.gz LQNQVIXIXMUXOF-FPOVZHCZSA-N 2 1 403.571 1.607 20 0 HDADMP C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243383 1075445852 /nfs/dbraw/zinc/44/58/52/1075445852.db2.gz LQNQVIXIXMUXOF-FPOVZHCZSA-N 2 1 403.571 1.607 20 0 HDADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737439 1075480740 /nfs/dbraw/zinc/48/07/40/1075480740.db2.gz ONMFEAGSFFNUJX-HXUWFJFHSA-N 2 1 401.555 1.457 20 0 HDADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737439 1075480747 /nfs/dbraw/zinc/48/07/47/1075480747.db2.gz ONMFEAGSFFNUJX-HXUWFJFHSA-N 2 1 401.555 1.457 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278413 1075481437 /nfs/dbraw/zinc/48/14/37/1075481437.db2.gz HOERIPKGXNZCGO-GUYCJALGSA-N 2 1 412.918 1.054 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278413 1075481441 /nfs/dbraw/zinc/48/14/41/1075481441.db2.gz HOERIPKGXNZCGO-GUYCJALGSA-N 2 1 412.918 1.054 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676281280 1075489247 /nfs/dbraw/zinc/48/92/47/1075489247.db2.gz VQLLIKVQWKTJGD-FUHIMQAGSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676281280 1075489249 /nfs/dbraw/zinc/48/92/49/1075489249.db2.gz VQLLIKVQWKTJGD-FUHIMQAGSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281280 1075489252 /nfs/dbraw/zinc/48/92/52/1075489252.db2.gz VQLLIKVQWKTJGD-FUHIMQAGSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281280 1075489254 /nfs/dbraw/zinc/48/92/54/1075489254.db2.gz VQLLIKVQWKTJGD-FUHIMQAGSA-N 2 1 402.539 1.692 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CC2)CC1 ZINC000676357845 1075531430 /nfs/dbraw/zinc/53/14/30/1075531430.db2.gz HXJJVOJUJIOUCU-FQEVSTJZSA-N 2 1 420.646 1.355 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357845 1075531436 /nfs/dbraw/zinc/53/14/36/1075531436.db2.gz HXJJVOJUJIOUCU-FQEVSTJZSA-N 2 1 420.646 1.355 20 0 HDADMP CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000731853469 1075534693 /nfs/dbraw/zinc/53/46/93/1075534693.db2.gz FMGFLZSEQAXOGU-QGZVFWFLSA-N 2 1 418.604 1.285 20 0 HDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000543679875 1075608763 /nfs/dbraw/zinc/60/87/63/1075608763.db2.gz JVHJZKLMMGCMBL-LJQANCHMSA-N 2 1 402.587 1.965 20 0 HDADMP COc1ccc(COC[C@H](O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701261 1075651721 /nfs/dbraw/zinc/65/17/21/1075651721.db2.gz BLVJXHYFTLGIAF-VQTJNVASSA-N 2 1 407.555 1.293 20 0 HDADMP COc1ccc(COC[C@H](O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000676701261 1075651723 /nfs/dbraw/zinc/65/17/23/1075651723.db2.gz BLVJXHYFTLGIAF-VQTJNVASSA-N 2 1 407.555 1.293 20 0 HDADMP COCc1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(N)n1 ZINC000500503379 1075657589 /nfs/dbraw/zinc/65/75/89/1075657589.db2.gz QFWFVWPCOOEDAA-UHFFFAOYSA-N 2 1 404.559 1.474 20 0 HDADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000732246126 1075679804 /nfs/dbraw/zinc/67/98/04/1075679804.db2.gz NKWPDRZEVUYMBQ-FPOVZHCZSA-N 2 1 402.539 1.824 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)n2)CC1 ZINC000437091251 1075779661 /nfs/dbraw/zinc/77/96/61/1075779661.db2.gz CBRMPKRDEKXBRW-IBGZPJMESA-N 2 1 416.570 2.002 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000493468382 1075991542 /nfs/dbraw/zinc/99/15/42/1075991542.db2.gz WFORHTDPXAVEEW-USTZCAOPSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@H]54)o3)[C@H]2C1 ZINC000493468382 1075991544 /nfs/dbraw/zinc/99/15/44/1075991544.db2.gz WFORHTDPXAVEEW-USTZCAOPSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@H]54)o3)[C@H]2C1 ZINC000493468382 1075991547 /nfs/dbraw/zinc/99/15/47/1075991547.db2.gz WFORHTDPXAVEEW-USTZCAOPSA-N 2 1 400.523 1.612 20 0 HDADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000495373713 1076008986 /nfs/dbraw/zinc/00/89/86/1076008986.db2.gz HNSZSEGOEPHUDP-RXVVDRJESA-N 2 1 415.582 1.891 20 0 HDADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O ZINC000733329153 1076044965 /nfs/dbraw/zinc/04/49/65/1076044965.db2.gz OBWDYMPIHBKEBH-KRWDZBQOSA-N 2 1 407.511 1.301 20 0 HDADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(Cl)c1OCC(N)=O ZINC000733329326 1076045317 /nfs/dbraw/zinc/04/53/17/1076045317.db2.gz QFEZZLKFVDRGRF-MRXNPFEDSA-N 2 1 411.930 1.946 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158524 1076071274 /nfs/dbraw/zinc/07/12/74/1076071274.db2.gz TUIQMBFAFVWFSK-SFHVURJKSA-N 2 1 401.555 1.745 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158524 1076071280 /nfs/dbraw/zinc/07/12/80/1076071280.db2.gz TUIQMBFAFVWFSK-SFHVURJKSA-N 2 1 401.555 1.745 20 0 HDADMP COc1ccc([C@@H](CNC(=O)C[NH+]2CCC(C(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000029695355 1076363332 /nfs/dbraw/zinc/36/33/32/1076363332.db2.gz BIXFQCULYFJRRR-HXUWFJFHSA-N 2 1 402.539 1.536 20 0 HDADMP COc1ccc([C@H](CNC(=O)C[NH+]2CCC(C(N)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000029695360 1076363367 /nfs/dbraw/zinc/36/33/67/1076363367.db2.gz BIXFQCULYFJRRR-FQEVSTJZSA-N 2 1 402.539 1.536 20 0 HDADMP CCOC(=O)c1nnc(SC)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681741 719615013 /nfs/dbraw/zinc/61/50/13/719615013.db2.gz AJOZQFDEGIHIGB-UHFFFAOYSA-N 2 1 405.528 1.442 20 0 HDADMP CCOC(=O)c1nnc(SC)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681741 719615020 /nfs/dbraw/zinc/61/50/20/719615020.db2.gz AJOZQFDEGIHIGB-UHFFFAOYSA-N 2 1 405.528 1.442 20 0 HDADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)c1 ZINC001164695714 719888268 /nfs/dbraw/zinc/88/82/68/719888268.db2.gz SCPCTDPKVRWTHN-UHFFFAOYSA-N 2 1 414.579 1.819 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807955 720076014 /nfs/dbraw/zinc/07/60/14/720076014.db2.gz GPXUTTRLPBWPAM-UGKGYDQZSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811777 720141667 /nfs/dbraw/zinc/14/16/67/720141667.db2.gz NGWQXACBCMJFLG-GCJKJVERSA-N 2 1 400.571 1.589 20 0 HDADMP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746032 720861797 /nfs/dbraw/zinc/86/17/97/720861797.db2.gz FJCBOTRIUUUONJ-DFQSSKMNSA-N 2 1 408.554 1.443 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164862880 720885255 /nfs/dbraw/zinc/88/52/55/720885255.db2.gz RRWXTGSOTMFDMF-OALUTQOASA-N 2 1 405.543 1.029 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867057 721051563 /nfs/dbraw/zinc/05/15/63/721051563.db2.gz HDVBQNQHCSURJD-VQTJNVASSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879870 721167005 /nfs/dbraw/zinc/16/70/05/721167005.db2.gz UWKHPQNFOYOQCE-UXHICEINSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164879870 721167007 /nfs/dbraw/zinc/16/70/07/721167007.db2.gz UWKHPQNFOYOQCE-UXHICEINSA-N 2 1 409.538 1.103 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976023 722133203 /nfs/dbraw/zinc/13/32/03/722133203.db2.gz GKTXNGYALYDKGI-IRLDBZIGSA-N 2 1 408.550 1.614 20 0 HDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653653 /nfs/dbraw/zinc/65/36/53/1073653653.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653656 /nfs/dbraw/zinc/65/36/56/1073653656.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653660 /nfs/dbraw/zinc/65/36/60/1073653660.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 2 1 402.583 1.666 20 0 HDADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673879259 1073851206 /nfs/dbraw/zinc/85/12/06/1073851206.db2.gz XMKJRIORLBZAOL-FQEVSTJZSA-N 2 1 407.603 1.489 20 0 HDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000674039443 1074112451 /nfs/dbraw/zinc/11/24/51/1074112451.db2.gz RDVWUHFDTOYWOJ-LJQANCHMSA-N 2 1 402.539 1.708 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509328652 1075113291 /nfs/dbraw/zinc/11/32/91/1075113291.db2.gz STHUGOSQZWJRHH-QZTJIDSGSA-N 2 1 411.591 1.070 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000670526904 1075149316 /nfs/dbraw/zinc/14/93/16/1075149316.db2.gz JRQMONLVHKOEIM-GOSISDBHSA-N 2 1 406.571 1.271 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000670526904 1075149317 /nfs/dbraw/zinc/14/93/17/1075149317.db2.gz JRQMONLVHKOEIM-GOSISDBHSA-N 2 1 406.571 1.271 20 0 HDADMP CCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446877496 1075187221 /nfs/dbraw/zinc/18/72/21/1075187221.db2.gz MJWMCZPHLIDCLX-FQEVSTJZSA-N 2 1 418.501 2.329 20 0 HDADMP CN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675577136 1075210001 /nfs/dbraw/zinc/21/00/01/1075210001.db2.gz XDWVVQPGINOLOW-FGZHOGPDSA-N 2 1 415.582 1.309 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581678 1075212624 /nfs/dbraw/zinc/21/26/24/1075212624.db2.gz HHXROGWMOKOLAA-PMACEKPBSA-N 2 1 407.603 1.835 20 0 HDADMP CC(C)C[C@@H](CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CCOCC1 ZINC000543641660 1075252251 /nfs/dbraw/zinc/25/22/51/1075252251.db2.gz KNIBZTQORYFAHZ-NRFANRHFSA-N 2 1 423.646 1.792 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000676094739 1075355515 /nfs/dbraw/zinc/35/55/15/1075355515.db2.gz OYZQJIXPQNVZMK-IBGZPJMESA-N 2 1 412.538 1.064 20 0 HDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097041 1075360499 /nfs/dbraw/zinc/36/04/99/1075360499.db2.gz LYRKBFHWKIWXIG-SFHVURJKSA-N 2 1 412.538 1.506 20 0 HDADMP CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000676097199 1075362659 /nfs/dbraw/zinc/36/26/59/1075362659.db2.gz KAGOLPCKVSQUNZ-FQEVSTJZSA-N 2 1 412.538 1.506 20 0 HDADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099862 1075364656 /nfs/dbraw/zinc/36/46/56/1075364656.db2.gz IHDGLVKENBTENB-SFHVURJKSA-N 2 1 418.586 1.886 20 0 HDADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2sccc2C1 ZINC000676089229 1075373280 /nfs/dbraw/zinc/37/32/80/1075373280.db2.gz IIDYCRRELQIYHD-CQSZACIVSA-N 2 1 404.540 1.008 20 0 HDADMP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2sccc2C1 ZINC000676089229 1075373281 /nfs/dbraw/zinc/37/32/81/1075373281.db2.gz IIDYCRRELQIYHD-CQSZACIVSA-N 2 1 404.540 1.008 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676244998 1075446434 /nfs/dbraw/zinc/44/64/34/1075446434.db2.gz YKCMIRVDPCAURM-UTKZUKDTSA-N 2 1 404.555 1.926 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676244998 1075446437 /nfs/dbraw/zinc/44/64/37/1075446437.db2.gz YKCMIRVDPCAURM-UTKZUKDTSA-N 2 1 404.555 1.926 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676278773 1075479835 /nfs/dbraw/zinc/47/98/35/1075479835.db2.gz JRFNSPPPYQLQJU-FXAWDEMLSA-N 2 1 402.539 1.489 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278773 1075479838 /nfs/dbraw/zinc/47/98/38/1075479838.db2.gz JRFNSPPPYQLQJU-FXAWDEMLSA-N 2 1 402.539 1.489 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676280866 1075485394 /nfs/dbraw/zinc/48/53/94/1075485394.db2.gz UJCJJXMGZPFKKG-VQIMIIECSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676280866 1075485400 /nfs/dbraw/zinc/48/54/00/1075485400.db2.gz UJCJJXMGZPFKKG-VQIMIIECSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676280863 1075485638 /nfs/dbraw/zinc/48/56/38/1075485638.db2.gz UJCJJXMGZPFKKG-APWZRJJASA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280863 1075485641 /nfs/dbraw/zinc/48/56/41/1075485641.db2.gz UJCJJXMGZPFKKG-APWZRJJASA-N 2 1 406.527 1.181 20 0 HDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000731761953 1075516747 /nfs/dbraw/zinc/51/67/47/1075516747.db2.gz QIBPWZPFQBDZRG-UHFFFAOYSA-N 2 1 403.571 1.355 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456663 1075624533 /nfs/dbraw/zinc/62/45/33/1075624533.db2.gz RVQWSFNUVKPPDZ-ROUUACIJSA-N 2 1 415.582 1.737 20 0 HDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000429464251 1075678602 /nfs/dbraw/zinc/67/86/02/1075678602.db2.gz DPTVLQHXOXBPEP-MOPGFXCFSA-N 2 1 415.582 1.609 20 0 HDADMP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000732229682 1075684323 /nfs/dbraw/zinc/68/43/23/1075684323.db2.gz YEVVOGUJUZJBLQ-HZPDHXFCSA-N 2 1 418.991 1.531 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000509438203 1075695618 /nfs/dbraw/zinc/69/56/18/1075695618.db2.gz MMAAROIQYMDRBL-LJQANCHMSA-N 2 1 415.582 1.256 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000509442515 1075736842 /nfs/dbraw/zinc/73/68/42/1075736842.db2.gz QBSQDZNDNPSQIB-HXUWFJFHSA-N 2 1 415.582 1.258 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000476154409 1075738048 /nfs/dbraw/zinc/73/80/48/1075738048.db2.gz NVMVZYYADWRZOJ-IBGZPJMESA-N 2 1 400.527 1.723 20 0 HDADMP S=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624839 1075810141 /nfs/dbraw/zinc/81/01/41/1075810141.db2.gz FUBNWYQCWNBIFR-UHFFFAOYSA-N 2 1 400.658 1.925 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC000509069497 1075987107 /nfs/dbraw/zinc/98/71/07/1075987107.db2.gz NQQXDLHHLGRSIG-SFHVURJKSA-N 2 1 403.531 1.419 20 0 HDADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000511822853 1075998971 /nfs/dbraw/zinc/99/89/71/1075998971.db2.gz IVGLAGIZBNJMKJ-FUPPJEDESA-N 2 1 404.599 1.206 20 0 HDADMP CC(C)[N@H+]1CCCN(CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268129 /nfs/dbraw/zinc/26/81/29/1076268129.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 2 1 413.566 1.947 20 0 HDADMP CC(C)[NH+]1CCCN(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268133 /nfs/dbraw/zinc/26/81/33/1076268133.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 2 1 413.566 1.947 20 0 HDADMP CC(C)[NH+]1CCCN(CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268141 /nfs/dbraw/zinc/26/81/41/1076268141.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 2 1 413.566 1.947 20 0 HDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728053055 1076321214 /nfs/dbraw/zinc/32/12/14/1076321214.db2.gz GKRIDEQAWHWFSK-WIYYLYMNSA-N 2 1 417.550 1.608 20 0 HDADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728053055 1076321218 /nfs/dbraw/zinc/32/12/18/1076321218.db2.gz GKRIDEQAWHWFSK-WIYYLYMNSA-N 2 1 417.550 1.608 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000728055584 1076322467 /nfs/dbraw/zinc/32/24/67/1076322467.db2.gz VVUZSNGZKZFRGZ-GOSISDBHSA-N 2 1 402.539 1.852 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000498095084 1076353839 /nfs/dbraw/zinc/35/38/39/1076353839.db2.gz OPMVSHWQNYXVCS-HRQSHJORSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000498095084 1076353840 /nfs/dbraw/zinc/35/38/40/1076353840.db2.gz OPMVSHWQNYXVCS-HRQSHJORSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000498095084 1076353846 /nfs/dbraw/zinc/35/38/46/1076353846.db2.gz OPMVSHWQNYXVCS-HRQSHJORSA-N 2 1 411.550 1.414 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000731120131 1076725982 /nfs/dbraw/zinc/72/59/82/1076725982.db2.gz OJRDSJXWNSPKCI-FQEVSTJZSA-N 2 1 411.554 1.887 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731120131 1076725988 /nfs/dbraw/zinc/72/59/88/1076725988.db2.gz OJRDSJXWNSPKCI-FQEVSTJZSA-N 2 1 411.554 1.887 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164448992 718998332 /nfs/dbraw/zinc/99/83/32/718998332.db2.gz KZXJQBHKHAKPGY-AYOQOUSVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164448992 718998340 /nfs/dbraw/zinc/99/83/40/718998340.db2.gz KZXJQBHKHAKPGY-AYOQOUSVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164448994 718998733 /nfs/dbraw/zinc/99/87/33/718998733.db2.gz KZXJQBHKHAKPGY-SNRMKQJTSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164448994 718998734 /nfs/dbraw/zinc/99/87/34/718998734.db2.gz KZXJQBHKHAKPGY-SNRMKQJTSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)NS(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679798 719639366 /nfs/dbraw/zinc/63/93/66/719639366.db2.gz NILXAEUWXOBCSX-UHFFFAOYSA-N 2 1 406.556 1.440 20 0 HDADMP CC(C)NS(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679798 719639383 /nfs/dbraw/zinc/63/93/83/719639383.db2.gz NILXAEUWXOBCSX-UHFFFAOYSA-N 2 1 406.556 1.440 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807953 720075441 /nfs/dbraw/zinc/07/54/41/720075441.db2.gz GPXUTTRLPBWPAM-SIKLNZKXSA-N 2 1 400.571 1.413 20 0 HDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001164827244 720327562 /nfs/dbraw/zinc/32/75/62/720327562.db2.gz HIJQPJVIXVBRFZ-RBUKOAKNSA-N 2 1 414.554 1.225 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839439 720518791 /nfs/dbraw/zinc/51/87/91/720518791.db2.gz ULGRAAGIQVJHDN-HSALFYBXSA-N 2 1 410.570 1.461 20 0 HDADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739623 720664005 /nfs/dbraw/zinc/66/40/05/720664005.db2.gz OHGYRCVMOBFEPT-HZPDHXFCSA-N 2 1 415.929 1.729 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746946 720730092 /nfs/dbraw/zinc/73/00/92/720730092.db2.gz ZBVJRKZNRDLTLB-ZWKOTPCHSA-N 2 1 411.510 1.008 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746946 720730099 /nfs/dbraw/zinc/73/00/99/720730099.db2.gz ZBVJRKZNRDLTLB-ZWKOTPCHSA-N 2 1 411.510 1.008 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164855619 720890023 /nfs/dbraw/zinc/89/00/23/720890023.db2.gz HMQWPYVRHNARTC-CTNGQTDRSA-N 2 1 404.555 1.634 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164808168 721580528 /nfs/dbraw/zinc/58/05/28/721580528.db2.gz PZUZPIVMDBXORA-VIZSFHNOSA-N 2 1 424.549 1.871 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164808168 721580532 /nfs/dbraw/zinc/58/05/32/721580532.db2.gz PZUZPIVMDBXORA-VIZSFHNOSA-N 2 1 424.549 1.871 20 0 HDADMP Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164984764 722104670 /nfs/dbraw/zinc/10/46/70/722104670.db2.gz UWYFRSXLZVDEJG-QFBILLFUSA-N 2 1 414.941 1.898 20 0 HDADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000673650063 1073543829 /nfs/dbraw/zinc/54/38/29/1073543829.db2.gz AERDYGVSKXFLGC-FQEVSTJZSA-N 2 1 401.555 1.307 20 0 HDADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000673650064 1073543884 /nfs/dbraw/zinc/54/38/84/1073543884.db2.gz AERDYGVSKXFLGC-HXUWFJFHSA-N 2 1 401.555 1.307 20 0 HDADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673658227 1073605344 /nfs/dbraw/zinc/60/53/44/1073605344.db2.gz GXYXRTXBMVGPEY-ROUUACIJSA-N 2 1 401.555 1.708 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000673661528 1073615811 /nfs/dbraw/zinc/61/58/11/1073615811.db2.gz HBMWPAABYWFHAA-OAQYLSRUSA-N 2 1 409.534 1.654 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1 ZINC000673661528 1073615818 /nfs/dbraw/zinc/61/58/18/1073615818.db2.gz HBMWPAABYWFHAA-OAQYLSRUSA-N 2 1 409.534 1.654 20 0 HDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673896315 1073867256 /nfs/dbraw/zinc/86/72/56/1073867256.db2.gz UFPLCVRTORCWCC-UHFFFAOYSA-N 2 1 418.582 1.118 20 0 HDADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522638 1073993213 /nfs/dbraw/zinc/99/32/13/1073993213.db2.gz OYGQAZYNACUGGG-OALUTQOASA-N 2 1 407.603 1.740 20 0 HDADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674183166 1074216631 /nfs/dbraw/zinc/21/66/31/1074216631.db2.gz YKVFHGJPXCBZGO-QFIPXVFZSA-N 2 1 416.566 1.650 20 0 HDADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674183165 1074216692 /nfs/dbraw/zinc/21/66/92/1074216692.db2.gz YKVFHGJPXCBZGO-JOCHJYFZSA-N 2 1 416.566 1.650 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000674308654 1074266833 /nfs/dbraw/zinc/26/68/33/1074266833.db2.gz PRMDXWSLJUERIK-LJQANCHMSA-N 2 1 414.616 1.065 20 0 HDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000674318913 1074279991 /nfs/dbraw/zinc/27/99/91/1074279991.db2.gz KVWOJEFYFPWVFH-OAQYLSRUSA-N 2 1 413.566 1.999 20 0 HDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1 ZINC000674318913 1074279994 /nfs/dbraw/zinc/27/99/94/1074279994.db2.gz KVWOJEFYFPWVFH-OAQYLSRUSA-N 2 1 413.566 1.999 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079619 1074782004 /nfs/dbraw/zinc/78/20/04/1074782004.db2.gz BBWIUDFCGPWCTR-DQLDELGASA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079619 1074782012 /nfs/dbraw/zinc/78/20/12/1074782012.db2.gz BBWIUDFCGPWCTR-DQLDELGASA-N 2 1 416.566 1.936 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249636 1075118379 /nfs/dbraw/zinc/11/83/79/1075118379.db2.gz SQIFOQHJGPENAF-OAHLLOKOSA-N 2 1 407.540 1.832 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249636 1075118382 /nfs/dbraw/zinc/11/83/82/1075118382.db2.gz SQIFOQHJGPENAF-OAHLLOKOSA-N 2 1 407.540 1.832 20 0 HDADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527115 1075151126 /nfs/dbraw/zinc/15/11/26/1075151126.db2.gz ZDNZGPAJEFPBKU-RBUKOAKNSA-N 2 1 406.571 1.080 20 0 HDADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527115 1075151131 /nfs/dbraw/zinc/15/11/31/1075151131.db2.gz ZDNZGPAJEFPBKU-RBUKOAKNSA-N 2 1 406.571 1.080 20 0 HDADMP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000675500493 1075185618 /nfs/dbraw/zinc/18/56/18/1075185618.db2.gz VVCZSMYVCSYAFS-UHFFFAOYSA-N 2 1 423.561 1.947 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000675934632 1075296472 /nfs/dbraw/zinc/29/64/72/1075296472.db2.gz QVZYQFGIYZFPMA-PXNSSMCTSA-N 2 1 402.539 1.898 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676040879 1075337832 /nfs/dbraw/zinc/33/78/32/1075337832.db2.gz ZRKAJXFAWGLXGB-UXHICEINSA-N 2 1 407.603 1.978 20 0 HDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000676096449 1075359216 /nfs/dbraw/zinc/35/92/16/1075359216.db2.gz LMSOHIHRGAMUJO-VQIMIIECSA-N 2 1 414.510 1.459 20 0 HDADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097069 1075360449 /nfs/dbraw/zinc/36/04/49/1075360449.db2.gz TYGVFVNADSFAGP-MSOLQXFVSA-N 2 1 404.559 1.496 20 0 HDADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098906 1075363074 /nfs/dbraw/zinc/36/30/74/1075363074.db2.gz HFOPOCJUVRVALO-FXAWDEMLSA-N 2 1 412.538 1.410 20 0 HDADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2sccc2C1 ZINC000676089221 1075373330 /nfs/dbraw/zinc/37/33/30/1075373330.db2.gz IIDYCRRELQIYHD-AWEZNQCLSA-N 2 1 404.540 1.008 20 0 HDADMP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2sccc2C1 ZINC000676089221 1075373337 /nfs/dbraw/zinc/37/33/37/1075373337.db2.gz IIDYCRRELQIYHD-AWEZNQCLSA-N 2 1 404.540 1.008 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676244990 1075446510 /nfs/dbraw/zinc/44/65/10/1075446510.db2.gz YKCMIRVDPCAURM-DYESRHJHSA-N 2 1 404.555 1.926 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676244990 1075446512 /nfs/dbraw/zinc/44/65/12/1075446512.db2.gz YKCMIRVDPCAURM-DYESRHJHSA-N 2 1 404.555 1.926 20 0 HDADMP C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676294971 1075498401 /nfs/dbraw/zinc/49/84/01/1075498401.db2.gz GWKTWACEAJFHJS-CMKODMSKSA-N 2 1 404.555 1.905 20 0 HDADMP C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676294971 1075498405 /nfs/dbraw/zinc/49/84/05/1075498405.db2.gz GWKTWACEAJFHJS-CMKODMSKSA-N 2 1 404.555 1.905 20 0 HDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2F)CC1 ZINC000676343550 1075517432 /nfs/dbraw/zinc/51/74/32/1075517432.db2.gz UAOQGWRBSZZCLA-LJQANCHMSA-N 2 1 404.530 1.951 20 0 HDADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451561 1075558320 /nfs/dbraw/zinc/55/83/20/1075558320.db2.gz FTBJNDBWOIORIM-MOPGFXCFSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000676451561 1075558325 /nfs/dbraw/zinc/55/83/25/1075558325.db2.gz FTBJNDBWOIORIM-MOPGFXCFSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000676451561 1075558330 /nfs/dbraw/zinc/55/83/30/1075558330.db2.gz FTBJNDBWOIORIM-MOPGFXCFSA-N 2 1 410.522 1.479 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676500811 1075570328 /nfs/dbraw/zinc/57/03/28/1075570328.db2.gz DZEZTNAGSXIGCF-SFHLNBCPSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676500811 1075570330 /nfs/dbraw/zinc/57/03/30/1075570330.db2.gz DZEZTNAGSXIGCF-SFHLNBCPSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676500811 1075570333 /nfs/dbraw/zinc/57/03/33/1075570333.db2.gz DZEZTNAGSXIGCF-SFHLNBCPSA-N 2 1 405.587 1.051 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)[C@H]1CC[NH+](C2CC2)C1 ZINC000732188917 1075654550 /nfs/dbraw/zinc/65/45/50/1075654550.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188917 1075654552 /nfs/dbraw/zinc/65/45/52/1075654552.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188917 1075654553 /nfs/dbraw/zinc/65/45/53/1075654553.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 2 1 411.550 1.699 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000676740301 1075671948 /nfs/dbraw/zinc/67/19/48/1075671948.db2.gz UAPYBBZMRFMFSU-DFQSSKMNSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1C[NH+](C)CCO1 ZINC000676740301 1075671954 /nfs/dbraw/zinc/67/19/54/1075671954.db2.gz UAPYBBZMRFMFSU-DFQSSKMNSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676740301 1075671957 /nfs/dbraw/zinc/67/19/57/1075671957.db2.gz UAPYBBZMRFMFSU-DFQSSKMNSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676740301 1075671960 /nfs/dbraw/zinc/67/19/60/1075671960.db2.gz UAPYBBZMRFMFSU-DFQSSKMNSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000509442903 1075734307 /nfs/dbraw/zinc/73/43/07/1075734307.db2.gz VHPVKIQHQCBIJG-VQTJNVASSA-N 2 1 415.582 1.114 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000509442903 1075734311 /nfs/dbraw/zinc/73/43/11/1075734311.db2.gz VHPVKIQHQCBIJG-VQTJNVASSA-N 2 1 415.582 1.114 20 0 HDADMP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000608328068 1075769770 /nfs/dbraw/zinc/76/97/70/1075769770.db2.gz UOOWONLMMULXPI-HKUYNNGSSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000608328068 1075769775 /nfs/dbraw/zinc/76/97/75/1075769775.db2.gz UOOWONLMMULXPI-HKUYNNGSSA-N 2 1 400.527 1.856 20 0 HDADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cn1 ZINC000732706666 1075841017 /nfs/dbraw/zinc/84/10/17/1075841017.db2.gz QULWZLHTDSQKQL-UHFFFAOYSA-N 2 1 400.483 1.083 20 0 HDADMP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611180903 1075868486 /nfs/dbraw/zinc/86/84/86/1075868486.db2.gz FQFFGCKZYOQHCH-CQSZACIVSA-N 2 1 407.481 1.253 20 0 HDADMP CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217170 1075878180 /nfs/dbraw/zinc/87/81/80/1075878180.db2.gz VFJKOZZFLXJUGO-MOPGFXCFSA-N 2 1 414.579 1.681 20 0 HDADMP CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217175 1075878341 /nfs/dbraw/zinc/87/83/41/1075878341.db2.gz VFJKOZZFLXJUGO-OALUTQOASA-N 2 1 414.579 1.681 20 0 HDADMP CN(c1ncnc2c1c(Br)nn2C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000733893540 1076254881 /nfs/dbraw/zinc/25/48/81/1076254881.db2.gz BMCHPRGXFHHYIJ-CYBMUJFWSA-N 2 1 408.348 1.731 20 0 HDADMP CN(c1ncnc2c1c(Br)nn2C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000733893540 1076254888 /nfs/dbraw/zinc/25/48/88/1076254888.db2.gz BMCHPRGXFHHYIJ-CYBMUJFWSA-N 2 1 408.348 1.731 20 0 HDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536050956 1076255263 /nfs/dbraw/zinc/25/52/63/1076255263.db2.gz TXVVREQZWZNFIH-FCHUYYIVSA-N 2 1 423.561 1.761 20 0 HDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536050956 1076255266 /nfs/dbraw/zinc/25/52/66/1076255266.db2.gz TXVVREQZWZNFIH-FCHUYYIVSA-N 2 1 423.561 1.761 20 0 HDADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727822722 1076267779 /nfs/dbraw/zinc/26/77/79/1076267779.db2.gz LMNPLASFTDAYNN-UHFFFAOYSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727822722 1076267781 /nfs/dbraw/zinc/26/77/81/1076267781.db2.gz LMNPLASFTDAYNN-UHFFFAOYSA-N 2 1 400.523 1.889 20 0 HDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053054 1076321333 /nfs/dbraw/zinc/32/13/33/1076321333.db2.gz GKRIDEQAWHWFSK-RXVVDRJESA-N 2 1 417.550 1.608 20 0 HDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053054 1076321339 /nfs/dbraw/zinc/32/13/39/1076321339.db2.gz GKRIDEQAWHWFSK-RXVVDRJESA-N 2 1 417.550 1.608 20 0 HDADMP C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730918054 1076691422 /nfs/dbraw/zinc/69/14/22/1076691422.db2.gz CEVWAIDIUHAGLL-NRFANRHFSA-N 2 1 413.566 1.854 20 0 HDADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001164617457 719014304 /nfs/dbraw/zinc/01/43/04/719014304.db2.gz OIKTYNNNNJFQSG-DZFGPLHGSA-N 2 1 407.518 1.765 20 0 HDADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001164617457 719014308 /nfs/dbraw/zinc/01/43/08/719014308.db2.gz OIKTYNNNNJFQSG-DZFGPLHGSA-N 2 1 407.518 1.765 20 0 HDADMP CCN(CC)S(=O)(=O)c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680578 719638723 /nfs/dbraw/zinc/63/87/23/719638723.db2.gz WQFGEHNFQBDPDO-UHFFFAOYSA-N 2 1 420.583 1.784 20 0 HDADMP CCN(CC)S(=O)(=O)c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680578 719638732 /nfs/dbraw/zinc/63/87/32/719638732.db2.gz WQFGEHNFQBDPDO-UHFFFAOYSA-N 2 1 420.583 1.784 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834980 720552385 /nfs/dbraw/zinc/55/23/85/720552385.db2.gz GGAPEHBIPKEAJO-HSALFYBXSA-N 2 1 410.570 1.461 20 0 HDADMP Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746036 720861650 /nfs/dbraw/zinc/86/16/50/720861650.db2.gz FJCBOTRIUUUONJ-YZGWKJHDSA-N 2 1 408.554 1.443 20 0 HDADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH+]cc21 ZINC001164854900 720871655 /nfs/dbraw/zinc/87/16/55/720871655.db2.gz GGBAHTHHCHWQIA-KXBFYZLASA-N 2 1 402.495 1.913 20 0 HDADMP c1csc(C[NH+]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164788986 721433600 /nfs/dbraw/zinc/43/36/00/721433600.db2.gz UVYJTEKTORPEOE-IAGOWNOFSA-N 2 1 400.552 1.880 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977262 722105842 /nfs/dbraw/zinc/10/58/42/722105842.db2.gz FLUQSCKJUNPYKE-WOJBJXKFSA-N 2 1 409.538 1.009 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978904 722149388 /nfs/dbraw/zinc/14/93/88/722149388.db2.gz KRHGRMNBNJXEOD-RTWAWAEBSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978904 722149391 /nfs/dbraw/zinc/14/93/91/722149391.db2.gz KRHGRMNBNJXEOD-RTWAWAEBSA-N 2 1 423.565 1.351 20 0 HDADMP COCCn1ccc2c1nc[nH+]c2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002873 722254101 /nfs/dbraw/zinc/25/41/01/722254101.db2.gz VPVOSUHDVFIKAX-UHFFFAOYSA-N 2 1 413.526 1.763 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772381 /nfs/dbraw/zinc/77/23/81/1073772381.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772388 /nfs/dbraw/zinc/77/23/88/1073772388.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772390 /nfs/dbraw/zinc/77/23/90/1073772390.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772396 /nfs/dbraw/zinc/77/23/96/1073772396.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 2 1 402.514 1.731 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867873 1073833225 /nfs/dbraw/zinc/83/32/25/1073833225.db2.gz SHFXMHYBHUOBSH-QGZVFWFLSA-N 2 1 400.531 1.172 20 0 HDADMP CN1CC[N@@H+](CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](c2ccccc2)C1 ZINC000673867909 1073833830 /nfs/dbraw/zinc/83/38/30/1073833830.db2.gz UBESXYASZDOUKA-OAQYLSRUSA-N 2 1 413.570 1.945 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000673867909 1073833843 /nfs/dbraw/zinc/83/38/43/1073833843.db2.gz UBESXYASZDOUKA-OAQYLSRUSA-N 2 1 413.570 1.945 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000673867909 1073833857 /nfs/dbraw/zinc/83/38/57/1073833857.db2.gz UBESXYASZDOUKA-OAQYLSRUSA-N 2 1 413.570 1.945 20 0 HDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673895240 1073865908 /nfs/dbraw/zinc/86/59/08/1073865908.db2.gz GXKZQNSTJGXGLM-UHFFFAOYSA-N 2 1 402.583 1.418 20 0 HDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593228 1074054087 /nfs/dbraw/zinc/05/40/87/1074054087.db2.gz NMRPRPNBBAFXDH-OZOXKJRCSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593228 1074054095 /nfs/dbraw/zinc/05/40/95/1074054095.db2.gz NMRPRPNBBAFXDH-OZOXKJRCSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593228 1074054103 /nfs/dbraw/zinc/05/41/03/1074054103.db2.gz NMRPRPNBBAFXDH-OZOXKJRCSA-N 2 1 413.566 1.666 20 0 HDADMP CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674139844 1074194123 /nfs/dbraw/zinc/19/41/23/1074194123.db2.gz DBCXIGOCZVDADY-UHFFFAOYSA-N 2 1 417.598 1.469 20 0 HDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674630401 1074493761 /nfs/dbraw/zinc/49/37/61/1074493761.db2.gz BTEHYVITSGVPIX-GOSISDBHSA-N 2 1 409.600 1.228 20 0 HDADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524480249 1074784476 /nfs/dbraw/zinc/78/44/76/1074784476.db2.gz UGSHSEKTGAHKRO-IBGZPJMESA-N 2 1 404.474 1.987 20 0 HDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507219125 1074797587 /nfs/dbraw/zinc/79/75/87/1074797587.db2.gz WZBFZYIKWSPJBC-LJQANCHMSA-N 2 1 418.501 1.887 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101284 1074799467 /nfs/dbraw/zinc/79/94/67/1074799467.db2.gz QDIKEFYTWKXXCL-QRVBRYPASA-N 2 1 410.603 1.571 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000477107552 1074806218 /nfs/dbraw/zinc/80/62/18/1074806218.db2.gz NJTRLIWFHYPLHD-GOSISDBHSA-N 2 1 410.603 1.763 20 0 HDADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527116 1075151004 /nfs/dbraw/zinc/15/10/04/1075151004.db2.gz ZDNZGPAJEFPBKU-RTBURBONSA-N 2 1 406.571 1.080 20 0 HDADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527116 1075151007 /nfs/dbraw/zinc/15/10/07/1075151007.db2.gz ZDNZGPAJEFPBKU-RTBURBONSA-N 2 1 406.571 1.080 20 0 HDADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527113 1075151222 /nfs/dbraw/zinc/15/12/22/1075151222.db2.gz ZDNZGPAJEFPBKU-MOPGFXCFSA-N 2 1 406.571 1.080 20 0 HDADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527113 1075151225 /nfs/dbraw/zinc/15/12/25/1075151225.db2.gz ZDNZGPAJEFPBKU-MOPGFXCFSA-N 2 1 406.571 1.080 20 0 HDADMP CCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446877497 1075187083 /nfs/dbraw/zinc/18/70/83/1075187083.db2.gz MJWMCZPHLIDCLX-HXUWFJFHSA-N 2 1 418.501 2.329 20 0 HDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165363 1075200685 /nfs/dbraw/zinc/20/06/85/1075200685.db2.gz FPGFRTOQBQYFLU-YCPHGPKFSA-N 2 1 403.570 1.546 20 0 HDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165363 1075200692 /nfs/dbraw/zinc/20/06/92/1075200692.db2.gz FPGFRTOQBQYFLU-YCPHGPKFSA-N 2 1 403.570 1.546 20 0 HDADMP Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)no1 ZINC000604342284 1075213469 /nfs/dbraw/zinc/21/34/69/1075213469.db2.gz INGXLQBDVZDKGO-CQSZACIVSA-N 2 1 418.523 1.829 20 0 HDADMP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000429372761 1075259501 /nfs/dbraw/zinc/25/95/01/1075259501.db2.gz OHPAPBJHEOHYGT-HXUWFJFHSA-N 2 1 406.615 1.944 20 0 HDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000676092113 1075352907 /nfs/dbraw/zinc/35/29/07/1075352907.db2.gz XRNHSWPJAKTIIB-UHFFFAOYSA-N 2 1 404.474 1.940 20 0 HDADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094554 1075356078 /nfs/dbraw/zinc/35/60/78/1075356078.db2.gz JRFIPQFFKBSDIQ-IBGZPJMESA-N 2 1 418.501 1.887 20 0 HDADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000676096446 1075359050 /nfs/dbraw/zinc/35/90/50/1075359050.db2.gz LMSOHIHRGAMUJO-APWZRJJASA-N 2 1 414.510 1.459 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000676097882 1075361195 /nfs/dbraw/zinc/36/11/95/1075361195.db2.gz XJKPDOOCXVZPRL-CRAIPNDOSA-N 2 1 418.567 1.644 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128856 1075388707 /nfs/dbraw/zinc/38/87/07/1075388707.db2.gz FPIOQARTKGUCPP-UYAOXDASSA-N 2 1 400.527 1.449 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000676129451 1075390231 /nfs/dbraw/zinc/39/02/31/1075390231.db2.gz KQBUJNHLBUEWBL-UYAOXDASSA-N 2 1 400.527 1.449 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676244999 1075446485 /nfs/dbraw/zinc/44/64/85/1075446485.db2.gz YKCMIRVDPCAURM-UWJYYQICSA-N 2 1 404.555 1.926 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676244999 1075446486 /nfs/dbraw/zinc/44/64/86/1075446486.db2.gz YKCMIRVDPCAURM-UWJYYQICSA-N 2 1 404.555 1.926 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676279748 1075483292 /nfs/dbraw/zinc/48/32/92/1075483292.db2.gz PQLQVINIJYGXGK-LPHOPBHVSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676279748 1075483295 /nfs/dbraw/zinc/48/32/95/1075483295.db2.gz PQLQVINIJYGXGK-LPHOPBHVSA-N 2 1 406.527 1.181 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281212 1075487945 /nfs/dbraw/zinc/48/79/45/1075487945.db2.gz VIZBUMHBQRNIJG-VQIMIIECSA-N 2 1 420.579 1.052 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281212 1075487951 /nfs/dbraw/zinc/48/79/51/1075487951.db2.gz VIZBUMHBQRNIJG-VQIMIIECSA-N 2 1 420.579 1.052 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676281285 1075489171 /nfs/dbraw/zinc/48/91/71/1075489171.db2.gz VQLLIKVQWKTJGD-MBOZVWFJSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676281285 1075489173 /nfs/dbraw/zinc/48/91/73/1075489173.db2.gz VQLLIKVQWKTJGD-MBOZVWFJSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676281285 1075489178 /nfs/dbraw/zinc/48/91/78/1075489178.db2.gz VQLLIKVQWKTJGD-MBOZVWFJSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676281285 1075489179 /nfs/dbraw/zinc/48/91/79/1075489179.db2.gz VQLLIKVQWKTJGD-MBOZVWFJSA-N 2 1 402.539 1.692 20 0 HDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nc(N4CCOCC4)cc[nH+]3)c2)C1 ZINC000676310912 1075508997 /nfs/dbraw/zinc/50/89/97/1075508997.db2.gz QDFSHIJSOJOTCR-IBGZPJMESA-N 2 1 410.522 1.623 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N4CCOCC4)cc[nH+]3)c2)C1 ZINC000676310912 1075508998 /nfs/dbraw/zinc/50/89/98/1075508998.db2.gz QDFSHIJSOJOTCR-IBGZPJMESA-N 2 1 410.522 1.623 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000676359438 1075533214 /nfs/dbraw/zinc/53/32/14/1075533214.db2.gz QXVUYRCWIDGNJV-FCHUYYIVSA-N 2 1 421.630 1.830 20 0 HDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731842896 1075548042 /nfs/dbraw/zinc/54/80/42/1075548042.db2.gz JULWOZBGRFPUOV-SQFNAUOLSA-N 2 1 410.584 1.068 20 0 HDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000731842896 1075548045 /nfs/dbraw/zinc/54/80/45/1075548045.db2.gz JULWOZBGRFPUOV-SQFNAUOLSA-N 2 1 410.584 1.068 20 0 HDADMP c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000676686506 1075648049 /nfs/dbraw/zinc/64/80/49/1075648049.db2.gz NEOJTLACKVNXKP-WOJBJXKFSA-N 2 1 416.570 1.079 20 0 HDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702060 1075652081 /nfs/dbraw/zinc/65/20/81/1075652081.db2.gz PKWCJUQNEWZAIU-FYYLOGMGSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000676702060 1075652090 /nfs/dbraw/zinc/65/20/90/1075652090.db2.gz PKWCJUQNEWZAIU-FYYLOGMGSA-N 2 1 413.610 1.604 20 0 HDADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233217 1075685637 /nfs/dbraw/zinc/68/56/37/1075685637.db2.gz YGJBAFOFNJKUBI-RBUKOAKNSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233217 1075685641 /nfs/dbraw/zinc/68/56/41/1075685641.db2.gz YGJBAFOFNJKUBI-RBUKOAKNSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233217 1075685643 /nfs/dbraw/zinc/68/56/43/1075685643.db2.gz YGJBAFOFNJKUBI-RBUKOAKNSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@H]1CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000732233217 1075685646 /nfs/dbraw/zinc/68/56/46/1075685646.db2.gz YGJBAFOFNJKUBI-RBUKOAKNSA-N 2 1 403.527 1.369 20 0 HDADMP C[NH+]1CCN([C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307488 1075695642 /nfs/dbraw/zinc/69/56/42/1075695642.db2.gz HDFFPLLFTRFSHR-VXKWHMMOSA-N 2 1 400.567 1.735 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000493266788 1075990839 /nfs/dbraw/zinc/99/08/39/1075990839.db2.gz ZRUYNWCHVMNCCG-MOPGFXCFSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c(C)cn1C ZINC000493266788 1075990840 /nfs/dbraw/zinc/99/08/40/1075990840.db2.gz ZRUYNWCHVMNCCG-MOPGFXCFSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC)c(C)cn1C ZINC000493266788 1075990842 /nfs/dbraw/zinc/99/08/42/1075990842.db2.gz ZRUYNWCHVMNCCG-MOPGFXCFSA-N 2 1 417.598 1.691 20 0 HDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950526 1076700423 /nfs/dbraw/zinc/70/04/23/1076700423.db2.gz PQRYMRGBKSANDU-UXHICEINSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950526 1076700432 /nfs/dbraw/zinc/70/04/32/1076700432.db2.gz PQRYMRGBKSANDU-UXHICEINSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950526 1076700440 /nfs/dbraw/zinc/70/04/40/1076700440.db2.gz PQRYMRGBKSANDU-UXHICEINSA-N 2 1 417.623 1.832 20 0 HDADMP O=C1NCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C12C[NH2+]C2 ZINC001164412249 718879029 /nfs/dbraw/zinc/87/90/29/718879029.db2.gz UTJONWIFKLOWEC-UHFFFAOYSA-N 2 1 412.563 1.444 20 0 HDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817143 720185978 /nfs/dbraw/zinc/18/59/78/720185978.db2.gz OGEBOMZIMLDDPH-KNQAVFIVSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817143 720185990 /nfs/dbraw/zinc/18/59/90/720185990.db2.gz OGEBOMZIMLDDPH-KNQAVFIVSA-N 2 1 400.571 1.413 20 0 HDADMP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743359 720742694 /nfs/dbraw/zinc/74/26/94/720742694.db2.gz PSNMOTOTQVKTSO-MOPGFXCFSA-N 2 1 410.522 1.688 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2N1 ZINC001164737721 720830906 /nfs/dbraw/zinc/83/09/06/720830906.db2.gz CGTJOVAJENAXNO-YESZJQIVSA-N 2 1 409.494 1.383 20 0 HDADMP O=C1COc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2N1 ZINC001164737721 720830907 /nfs/dbraw/zinc/83/09/07/720830907.db2.gz CGTJOVAJENAXNO-YESZJQIVSA-N 2 1 409.494 1.383 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164855630 720890399 /nfs/dbraw/zinc/89/03/99/720890399.db2.gz HMQWPYVRHNARTC-TZIWHRDSSA-N 2 1 404.555 1.634 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978054 722130862 /nfs/dbraw/zinc/13/08/62/722130862.db2.gz JKLVGYDNZKTHPH-FPOVZHCZSA-N 2 1 423.565 1.526 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978905 722149637 /nfs/dbraw/zinc/14/96/37/722149637.db2.gz KRHGRMNBNJXEOD-SFTDATJTSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978905 722149644 /nfs/dbraw/zinc/14/96/44/722149644.db2.gz KRHGRMNBNJXEOD-SFTDATJTSA-N 2 1 423.565 1.351 20 0 HDADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713796 1073653463 /nfs/dbraw/zinc/65/34/63/1073653463.db2.gz GCPIZOIWFYKFEK-YADHBBJMSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713796 1073653467 /nfs/dbraw/zinc/65/34/67/1073653467.db2.gz GCPIZOIWFYKFEK-YADHBBJMSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713796 1073653471 /nfs/dbraw/zinc/65/34/71/1073653471.db2.gz GCPIZOIWFYKFEK-YADHBBJMSA-N 2 1 402.583 1.666 20 0 HDADMP CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)n2C ZINC000673829906 1073787847 /nfs/dbraw/zinc/78/78/47/1073787847.db2.gz GIXUDIQOQQBDJY-UHFFFAOYSA-N 2 1 409.494 1.578 20 0 HDADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)c2)CCO1 ZINC000673869050 1073834402 /nfs/dbraw/zinc/83/44/02/1073834402.db2.gz LAMFVBZLJNKAMR-QGZVFWFLSA-N 2 1 400.527 1.987 20 0 HDADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)c2)CCO1 ZINC000673869050 1073834418 /nfs/dbraw/zinc/83/44/18/1073834418.db2.gz LAMFVBZLJNKAMR-QGZVFWFLSA-N 2 1 400.527 1.987 20 0 HDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593226 1074053961 /nfs/dbraw/zinc/05/39/61/1074053961.db2.gz NMRPRPNBBAFXDH-BSIFCXSSSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593226 1074053972 /nfs/dbraw/zinc/05/39/72/1074053972.db2.gz NMRPRPNBBAFXDH-BSIFCXSSSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593226 1074053984 /nfs/dbraw/zinc/05/39/84/1074053984.db2.gz NMRPRPNBBAFXDH-BSIFCXSSSA-N 2 1 413.566 1.666 20 0 HDADMP COC1CC[NH+](CCNC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000674326056 1074274651 /nfs/dbraw/zinc/27/46/51/1074274651.db2.gz YDNHXBMBTXKRHZ-GOSISDBHSA-N 2 1 409.600 1.447 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCOC[C@@H]1CCOC1 ZINC000674328796 1074278095 /nfs/dbraw/zinc/27/80/95/1074278095.db2.gz UQPNNMLFJWRQLD-HXUWFJFHSA-N 2 1 410.603 1.877 20 0 HDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000674328720 1074278424 /nfs/dbraw/zinc/27/84/24/1074278424.db2.gz NIVWWSOPZZDULI-UHFFFAOYSA-N 2 1 417.598 1.734 20 0 HDADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674657482 1074504897 /nfs/dbraw/zinc/50/48/97/1074504897.db2.gz OSTYFQWVEWCKDT-HNNXBMFYSA-N 2 1 402.520 1.979 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000477062976 1074773613 /nfs/dbraw/zinc/77/36/13/1074773613.db2.gz ZAGGCICJCHHDRT-IEBWSBKVSA-N 2 1 406.596 1.567 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000477062976 1074773621 /nfs/dbraw/zinc/77/36/21/1074773621.db2.gz ZAGGCICJCHHDRT-IEBWSBKVSA-N 2 1 406.596 1.567 20 0 HDADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097939 1075361294 /nfs/dbraw/zinc/36/12/94/1075361294.db2.gz XVERZENRNVAQEN-FQEVSTJZSA-N 2 1 404.474 1.939 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000676279750 1075483403 /nfs/dbraw/zinc/48/34/03/1075483403.db2.gz PQLQVINIJYGXGK-VQIMIIECSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000676279750 1075483407 /nfs/dbraw/zinc/48/34/07/1075483407.db2.gz PQLQVINIJYGXGK-VQIMIIECSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676280865 1075485491 /nfs/dbraw/zinc/48/54/91/1075485491.db2.gz UJCJJXMGZPFKKG-QFBILLFUSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676280865 1075485494 /nfs/dbraw/zinc/48/54/94/1075485494.db2.gz UJCJJXMGZPFKKG-QFBILLFUSA-N 2 1 406.527 1.181 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307439 1075493120 /nfs/dbraw/zinc/49/31/20/1075493120.db2.gz PLJXRZFGZPFRJY-CTNGQTDRSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676307439 1075493122 /nfs/dbraw/zinc/49/31/22/1075493122.db2.gz PLJXRZFGZPFRJY-CTNGQTDRSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676307439 1075493125 /nfs/dbraw/zinc/49/31/25/1075493125.db2.gz PLJXRZFGZPFRJY-CTNGQTDRSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676307439 1075493128 /nfs/dbraw/zinc/49/31/28/1075493128.db2.gz PLJXRZFGZPFRJY-CTNGQTDRSA-N 2 1 403.571 1.165 20 0 HDADMP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000543670772 1075515749 /nfs/dbraw/zinc/51/57/49/1075515749.db2.gz RNWAHRYGPRSVRA-LEWJYISDSA-N 2 1 421.630 1.689 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732188914 1075654577 /nfs/dbraw/zinc/65/45/77/1075654577.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188914 1075654581 /nfs/dbraw/zinc/65/45/81/1075654581.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732188914 1075654584 /nfs/dbraw/zinc/65/45/84/1075654584.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 2 1 411.550 1.699 20 0 HDADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(c3nc(N)ns3)CC2)CC1 ZINC000539912241 1075700924 /nfs/dbraw/zinc/70/09/24/1075700924.db2.gz XTAVQLUOSUHUIK-UHFFFAOYSA-N 2 1 401.584 1.975 20 0 HDADMP CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489366523 1075882817 /nfs/dbraw/zinc/88/28/17/1075882817.db2.gz KHRKLWHVNSFYGP-NHCUHLMSSA-N 2 1 415.582 1.906 20 0 HDADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000495373714 1076008943 /nfs/dbraw/zinc/00/89/43/1076008943.db2.gz HNSZSEGOEPHUDP-WIYYLYMNSA-N 2 1 415.582 1.891 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158522 1076071485 /nfs/dbraw/zinc/07/14/85/1076071485.db2.gz TUIQMBFAFVWFSK-GOSISDBHSA-N 2 1 401.555 1.745 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158522 1076071489 /nfs/dbraw/zinc/07/14/89/1076071489.db2.gz TUIQMBFAFVWFSK-GOSISDBHSA-N 2 1 401.555 1.745 20 0 HDADMP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000727832446 1076263999 /nfs/dbraw/zinc/26/39/99/1076263999.db2.gz BQQHSYHOCPCIGA-IBGZPJMESA-N 2 1 416.566 1.894 20 0 HDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC000728143836 1076342714 /nfs/dbraw/zinc/34/27/14/1076342714.db2.gz RPLZOVIXUYJULU-UHFFFAOYSA-N 2 1 406.490 1.935 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@H]54)n3)[C@H]2C1 ZINC000498095083 1076353760 /nfs/dbraw/zinc/35/37/60/1076353760.db2.gz OPMVSHWQNYXVCS-BTYSMDAFSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@@H]54)n3)[C@@H]2C1 ZINC000498095083 1076353766 /nfs/dbraw/zinc/35/37/66/1076353766.db2.gz OPMVSHWQNYXVCS-BTYSMDAFSA-N 2 1 411.550 1.414 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@@H]54)n3)[C@@H]2C1 ZINC000498095083 1076353772 /nfs/dbraw/zinc/35/37/72/1076353772.db2.gz OPMVSHWQNYXVCS-BTYSMDAFSA-N 2 1 411.550 1.414 20 0 HDADMP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000731161811 1076740217 /nfs/dbraw/zinc/74/02/17/1076740217.db2.gz ATEDCETXVJJMSU-IBGZPJMESA-N 2 1 409.644 1.611 20 0 HDADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000731161811 1076740219 /nfs/dbraw/zinc/74/02/19/1076740219.db2.gz ATEDCETXVJJMSU-IBGZPJMESA-N 2 1 409.644 1.611 20 0 HDADMP CCOC(=O)[C@@H]1CCc2nnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164680976 719651394 /nfs/dbraw/zinc/65/13/94/719651394.db2.gz KKLVTMLUISFGKV-OAHLLOKOSA-N 2 1 412.538 1.816 20 0 HDADMP CCOC(=O)[C@@H]1CCc2nnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164680976 719651398 /nfs/dbraw/zinc/65/13/98/719651398.db2.gz KKLVTMLUISFGKV-OAHLLOKOSA-N 2 1 412.538 1.816 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(O[C@@H]3CCOC3)n2)c2c1CC[NH2+]C2 ZINC001164680688 719652309 /nfs/dbraw/zinc/65/23/09/719652309.db2.gz HRJUHRANAMSRND-CYBMUJFWSA-N 2 1 406.918 1.969 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(O[C@@H]3CCOC3)n2)c2c1CC[NH2+]C2 ZINC001164680688 719652311 /nfs/dbraw/zinc/65/23/11/719652311.db2.gz HRJUHRANAMSRND-CYBMUJFWSA-N 2 1 406.918 1.969 20 0 HDADMP COC(=O)C1CCN(c2cc[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)n2)CC1 ZINC001164735443 720519830 /nfs/dbraw/zinc/51/98/30/720519830.db2.gz XOMKDJDPWVZONP-INIZCTEOSA-N 2 1 413.526 1.261 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746943 720730846 /nfs/dbraw/zinc/73/08/46/720730846.db2.gz ZBVJRKZNRDLTLB-ROUUACIJSA-N 2 1 411.510 1.008 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164746943 720730866 /nfs/dbraw/zinc/73/08/66/720730866.db2.gz ZBVJRKZNRDLTLB-ROUUACIJSA-N 2 1 411.510 1.008 20 0 HDADMP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744174 720810245 /nfs/dbraw/zinc/81/02/45/720810245.db2.gz HQVFTXPKTWXMRZ-WAOWUJCRSA-N 2 1 408.554 1.136 20 0 HDADMP CCc1cc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853623 720865467 /nfs/dbraw/zinc/86/54/67/720865467.db2.gz HVICTRNQPZAMRN-PKOBYXMFSA-N 2 1 405.543 1.049 20 0 HDADMP CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853623 720865468 /nfs/dbraw/zinc/86/54/68/720865468.db2.gz HVICTRNQPZAMRN-PKOBYXMFSA-N 2 1 405.543 1.049 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867058 721051863 /nfs/dbraw/zinc/05/18/63/721051863.db2.gz HDVBQNQHCSURJD-WOJBJXKFSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867651 721109646 /nfs/dbraw/zinc/10/96/46/721109646.db2.gz ZGCMEKHRJZFRGY-NHCUHLMSSA-N 2 1 408.550 1.708 20 0 HDADMP Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164986001 722100295 /nfs/dbraw/zinc/10/02/95/722100295.db2.gz XQWRGKLQOHOBMZ-QFBILLFUSA-N 2 1 414.941 1.898 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978359 722102216 /nfs/dbraw/zinc/10/22/16/722102216.db2.gz GTATXHBIQMTXIR-LEWJYISDSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980530 722128763 /nfs/dbraw/zinc/12/87/63/722128763.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 2 1 422.577 1.956 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)CC1 ZINC001165002198 722236981 /nfs/dbraw/zinc/23/69/81/722236981.db2.gz QWQWSUXTFMWTAI-UHFFFAOYSA-N 2 1 407.566 1.824 20 0 HDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000674023168 1074082669 /nfs/dbraw/zinc/08/26/69/1074082669.db2.gz ROQYFNHSEAXKDL-MRXNPFEDSA-N 2 1 417.554 1.935 20 0 HDADMP Cc1cc(N2CCC(NC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)nc(C)[nH+]1 ZINC000674189285 1074203792 /nfs/dbraw/zinc/20/37/92/1074203792.db2.gz KDIYNPKTIVMGPO-HXUWFJFHSA-N 2 1 415.586 1.484 20 0 HDADMP Cc1cc(N2CCC(NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)nc(C)[nH+]1 ZINC000674189285 1074203800 /nfs/dbraw/zinc/20/38/00/1074203800.db2.gz KDIYNPKTIVMGPO-HXUWFJFHSA-N 2 1 415.586 1.484 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000674326756 1074276163 /nfs/dbraw/zinc/27/61/63/1074276163.db2.gz FDLVAEQYEXQWLX-UHFFFAOYSA-N 2 1 407.559 1.913 20 0 HDADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000675086240 1074701873 /nfs/dbraw/zinc/70/18/73/1074701873.db2.gz UTFBTGAGZYMLAG-RXVVDRJESA-N 2 1 420.598 1.467 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000477062978 1074773840 /nfs/dbraw/zinc/77/38/40/1074773840.db2.gz ZAGGCICJCHHDRT-PKOBYXMFSA-N 2 1 406.596 1.567 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000477062978 1074773847 /nfs/dbraw/zinc/77/38/47/1074773847.db2.gz ZAGGCICJCHHDRT-PKOBYXMFSA-N 2 1 406.596 1.567 20 0 HDADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000477794725 1075123435 /nfs/dbraw/zinc/12/34/35/1075123435.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 2 1 404.559 1.724 20 0 HDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn(C)nc1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000477794725 1075123438 /nfs/dbraw/zinc/12/34/38/1075123438.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 2 1 404.559 1.724 20 0 HDADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn(C)nc1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000477794725 1075123440 /nfs/dbraw/zinc/12/34/40/1075123440.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 2 1 404.559 1.724 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000670526905 1075149345 /nfs/dbraw/zinc/14/93/45/1075149345.db2.gz JRQMONLVHKOEIM-SFHVURJKSA-N 2 1 406.571 1.271 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000670526905 1075149346 /nfs/dbraw/zinc/14/93/46/1075149346.db2.gz JRQMONLVHKOEIM-SFHVURJKSA-N 2 1 406.571 1.271 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511685 1075191104 /nfs/dbraw/zinc/19/11/04/1075191104.db2.gz RIVYULWIYGOPLQ-QRVBRYPASA-N 2 1 414.550 1.675 20 0 HDADMP CN(CCC[NH+](C)C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000543643287 1075257990 /nfs/dbraw/zinc/25/79/90/1075257990.db2.gz SQOMGZQPJDKCHH-UHFFFAOYSA-N 2 1 405.543 1.441 20 0 HDADMP c1cc2c(cn1)nc(NCC[N@H+]1CCCOCC1)cc2NCC[NH+]1CCCOCC1 ZINC000561304746 1075322459 /nfs/dbraw/zinc/32/24/59/1075322459.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 2 1 414.554 1.898 20 0 HDADMP c1cc2c(cn1)nc(NCC[NH+]1CCCOCC1)cc2NCC[N@@H+]1CCCOCC1 ZINC000561304746 1075322462 /nfs/dbraw/zinc/32/24/62/1075322462.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 2 1 414.554 1.898 20 0 HDADMP c1cc2c(cn1)nc(NCC[NH+]1CCCOCC1)cc2NCC[N@H+]1CCCOCC1 ZINC000561304746 1075322463 /nfs/dbraw/zinc/32/24/63/1075322463.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 2 1 414.554 1.898 20 0 HDADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138967 1075406500 /nfs/dbraw/zinc/40/65/00/1075406500.db2.gz ICZUEIZZCSXGDK-LEWJYISDSA-N 2 1 417.598 1.195 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243168 1075444765 /nfs/dbraw/zinc/44/47/65/1075444765.db2.gz JVKFDXUZKQNUCC-RBBKRZOGSA-N 2 1 417.598 1.916 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243168 1075444776 /nfs/dbraw/zinc/44/47/76/1075444776.db2.gz JVKFDXUZKQNUCC-RBBKRZOGSA-N 2 1 417.598 1.916 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676278298 1075478609 /nfs/dbraw/zinc/47/86/09/1075478609.db2.gz HNHKKVIRLLAEDK-FXAWDEMLSA-N 2 1 418.538 1.325 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278298 1075478612 /nfs/dbraw/zinc/47/86/12/1075478612.db2.gz HNHKKVIRLLAEDK-FXAWDEMLSA-N 2 1 418.538 1.325 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676279747 1075483349 /nfs/dbraw/zinc/48/33/49/1075483349.db2.gz PQLQVINIJYGXGK-APWZRJJASA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676279747 1075483352 /nfs/dbraw/zinc/48/33/52/1075483352.db2.gz PQLQVINIJYGXGK-APWZRJJASA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509402312 1075496307 /nfs/dbraw/zinc/49/63/07/1075496307.db2.gz WFTTTZGGCWUXCV-FQEVSTJZSA-N 2 1 401.555 1.457 20 0 HDADMP CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427238035 1075585987 /nfs/dbraw/zinc/58/59/87/1075585987.db2.gz HLCUALNKMQAGTK-HXUWFJFHSA-N 2 1 424.549 1.821 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)oc1C ZINC000732257542 1075688631 /nfs/dbraw/zinc/68/86/31/1075688631.db2.gz SATGTFFFDUYXNG-OALUTQOASA-N 2 1 405.543 1.666 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)oc1C ZINC000732257542 1075688634 /nfs/dbraw/zinc/68/86/34/1075688634.db2.gz SATGTFFFDUYXNG-OALUTQOASA-N 2 1 405.543 1.666 20 0 HDADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000438698827 1075704988 /nfs/dbraw/zinc/70/49/88/1075704988.db2.gz TUTWUGQAFASJTO-QZTJIDSGSA-N 2 1 414.554 2.376 20 0 HDADMP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)(C)C ZINC000467672329 1075733427 /nfs/dbraw/zinc/73/34/27/1075733427.db2.gz UVTWHWXYZZNMBZ-KRWDZBQOSA-N 2 1 405.543 1.608 20 0 HDADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1)C1CC1 ZINC000442064812 1075763583 /nfs/dbraw/zinc/76/35/83/1075763583.db2.gz QUFQVXAQAKQSGS-UHFFFAOYSA-N 2 1 404.474 2.481 20 0 HDADMP C[NH+]1CCN(c2ncc(C[NH2+]CCNc3ccc(-c4ccccc4)nn3)cn2)CC1 ZINC000532395324 1075793645 /nfs/dbraw/zinc/79/36/45/1075793645.db2.gz FPUBQERAVUULSG-UHFFFAOYSA-N 2 1 404.522 1.887 20 0 HDADMP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306805 1075799452 /nfs/dbraw/zinc/79/94/52/1075799452.db2.gz CAORARGBMSYGDE-HZPDHXFCSA-N 2 1 401.477 1.988 20 0 HDADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611181040 1075868550 /nfs/dbraw/zinc/86/85/50/1075868550.db2.gz UVKZPLWIBQSIHH-HXUWFJFHSA-N 2 1 408.587 1.421 20 0 HDADMP CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000611211204 1075874813 /nfs/dbraw/zinc/87/48/13/1075874813.db2.gz UDRWKOYTMMDVGQ-DENIHFKCSA-N 2 1 419.566 1.965 20 0 HDADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169730 1076068490 /nfs/dbraw/zinc/06/84/90/1076068490.db2.gz MSYQNULFDGMLJR-NFBKMPQASA-N 2 1 411.550 1.701 20 0 HDADMP C[N@H+](Cc1ccccc1)CC1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000727423292 1076126712 /nfs/dbraw/zinc/12/67/12/1076126712.db2.gz PPSJGPIRZFCTDM-UHFFFAOYSA-N 2 1 413.566 1.804 20 0 HDADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000727423292 1076126720 /nfs/dbraw/zinc/12/67/20/1076126720.db2.gz PPSJGPIRZFCTDM-UHFFFAOYSA-N 3 1 413.566 1.804 20 0 HDADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000727423292 1076126725 /nfs/dbraw/zinc/12/67/25/1076126725.db2.gz PPSJGPIRZFCTDM-UHFFFAOYSA-N 3 1 413.566 1.804 20 0 HDADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCC([NH3+])(CO)CC3)c2c1C ZINC000733895721 1076255909 /nfs/dbraw/zinc/25/59/09/1076255909.db2.gz JFCSVRVGNCQGRI-UHFFFAOYSA-N 2 1 407.540 1.528 20 0 HDADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000727833448 1076264532 /nfs/dbraw/zinc/26/45/32/1076264532.db2.gz URLIYWPPCAPWLO-UHFFFAOYSA-N 2 1 402.539 1.506 20 0 HDADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000025702396 1076353404 /nfs/dbraw/zinc/35/34/04/1076353404.db2.gz SGFKOQAFIQXLFP-OAHLLOKOSA-N 2 1 413.522 1.013 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001164810832 720214359 /nfs/dbraw/zinc/21/43/59/720214359.db2.gz DMWMOJFEDDKVAZ-UHFFFAOYSA-N 2 1 417.945 1.583 20 0 HDADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCOCC3)[nH+]1)CCC2 ZINC001164813243 720231428 /nfs/dbraw/zinc/23/14/28/720231428.db2.gz LXHCWIISALIADK-UHFFFAOYSA-N 2 1 412.538 1.725 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cccc(N3CCOCC3)[nH+]1)CCC2 ZINC001164813243 720231441 /nfs/dbraw/zinc/23/14/41/720231441.db2.gz LXHCWIISALIADK-UHFFFAOYSA-N 2 1 412.538 1.725 20 0 HDADMP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735401 720426875 /nfs/dbraw/zinc/42/68/75/720426875.db2.gz XAAUZBKOTRNRGA-PMACEKPBSA-N 2 1 407.522 1.165 20 0 HDADMP c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735401 720426876 /nfs/dbraw/zinc/42/68/76/720426876.db2.gz XAAUZBKOTRNRGA-PMACEKPBSA-N 2 1 407.522 1.165 20 0 HDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749291 720839871 /nfs/dbraw/zinc/83/98/71/720839871.db2.gz VPQYXQALGZDJBO-RZUBCFFCSA-N 2 1 422.581 1.915 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867055 721051804 /nfs/dbraw/zinc/05/18/04/721051804.db2.gz HDVBQNQHCSURJD-PMACEKPBSA-N 2 1 409.538 1.103 20 0 HDADMP c1csc(C[NH+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)n1 ZINC001164788988 721433419 /nfs/dbraw/zinc/43/34/19/721433419.db2.gz UVYJTEKTORPEOE-IRXDYDNUSA-N 2 1 400.552 1.880 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164788604 721454721 /nfs/dbraw/zinc/45/47/21/721454721.db2.gz RREITJBAJQPWJL-LJQANCHMSA-N 2 1 415.582 1.856 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164788830 721474048 /nfs/dbraw/zinc/47/40/48/721474048.db2.gz LPMYRYJPNATDFA-HXUWFJFHSA-N 2 1 415.582 1.897 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164899664 721513377 /nfs/dbraw/zinc/51/33/77/721513377.db2.gz LMCPBFMXANOGRX-UYAOXDASSA-N 2 1 412.513 1.709 20 0 HDADMP COc1cc(OC)nc(CN2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC2)n1 ZINC001165029280 721849596 /nfs/dbraw/zinc/84/95/96/721849596.db2.gz IJQSOJJFJZUNDF-UHFFFAOYSA-N 2 1 413.526 1.139 20 0 HDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646815 1073532476 /nfs/dbraw/zinc/53/24/76/1073532476.db2.gz LAHFVJILWCAJHP-XMMPIXPASA-N 2 1 422.529 1.650 20 0 HDADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646815 1073532486 /nfs/dbraw/zinc/53/24/86/1073532486.db2.gz LAHFVJILWCAJHP-XMMPIXPASA-N 2 1 422.529 1.650 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429105793 1073591255 /nfs/dbraw/zinc/59/12/55/1073591255.db2.gz VVLIBYUUVSVMGN-QUCCMNQESA-N 2 1 400.571 1.908 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429105793 1073591271 /nfs/dbraw/zinc/59/12/71/1073591271.db2.gz VVLIBYUUVSVMGN-QUCCMNQESA-N 2 1 400.571 1.908 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670483 1073623969 /nfs/dbraw/zinc/62/39/69/1073623969.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670483 1073623973 /nfs/dbraw/zinc/62/39/73/1073623973.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670483 1073623977 /nfs/dbraw/zinc/62/39/77/1073623977.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670483 1073623980 /nfs/dbraw/zinc/62/39/80/1073623980.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670483 1073623985 /nfs/dbraw/zinc/62/39/85/1073623985.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 1 400.567 1.250 20 0 HDADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000673802071 1073750965 /nfs/dbraw/zinc/75/09/65/1073750965.db2.gz IKCXEKRSUAUSEO-FQEVSTJZSA-N 2 1 416.566 1.384 20 0 HDADMP C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000673868612 1073846247 /nfs/dbraw/zinc/84/62/47/1073846247.db2.gz BVAMUDZYGNLHMD-XLIONFOSSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000673868612 1073846252 /nfs/dbraw/zinc/84/62/52/1073846252.db2.gz BVAMUDZYGNLHMD-XLIONFOSSA-N 2 1 400.527 1.856 20 0 HDADMP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527673 1075151488 /nfs/dbraw/zinc/15/14/88/1075151488.db2.gz WBRROWLNDZZMAA-AZUAARDMSA-N 2 1 402.539 1.549 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000509346048 1075181990 /nfs/dbraw/zinc/18/19/90/1075181990.db2.gz UYWJYKJEZZKSHN-BGYRXZFFSA-N 2 1 409.619 1.940 20 0 HDADMP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)n1)[C@H]1CC[NH+](C2CC2)C1 ZINC000675605853 1075222582 /nfs/dbraw/zinc/22/25/82/1075222582.db2.gz ZMLRTDUOLNRNLU-OALUTQOASA-N 2 1 411.550 1.699 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243166 1075444119 /nfs/dbraw/zinc/44/41/19/1075444119.db2.gz JVKFDXUZKQNUCC-IRLDBZIGSA-N 2 1 417.598 1.916 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243166 1075444122 /nfs/dbraw/zinc/44/41/22/1075444122.db2.gz JVKFDXUZKQNUCC-IRLDBZIGSA-N 2 1 417.598 1.916 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278412 1075481247 /nfs/dbraw/zinc/48/12/47/1075481247.db2.gz HOERIPKGXNZCGO-DYVFJYSZSA-N 2 1 412.918 1.054 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278412 1075481252 /nfs/dbraw/zinc/48/12/52/1075481252.db2.gz HOERIPKGXNZCGO-DYVFJYSZSA-N 2 1 412.918 1.054 20 0 HDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000731759107 1075514254 /nfs/dbraw/zinc/51/42/54/1075514254.db2.gz MVRMXIVKLWXTFV-UHFFFAOYSA-N 2 1 407.603 1.883 20 0 HDADMP C[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451562 1075558362 /nfs/dbraw/zinc/55/83/62/1075558362.db2.gz FTBJNDBWOIORIM-OALUTQOASA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000676451562 1075558366 /nfs/dbraw/zinc/55/83/66/1075558366.db2.gz FTBJNDBWOIORIM-OALUTQOASA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000676451562 1075558369 /nfs/dbraw/zinc/55/83/69/1075558369.db2.gz FTBJNDBWOIORIM-OALUTQOASA-N 2 1 410.522 1.479 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456661 1075624554 /nfs/dbraw/zinc/62/45/54/1075624554.db2.gz RVQWSFNUVKPPDZ-MSOLQXFVSA-N 2 1 415.582 1.737 20 0 HDADMP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000732204396 1075676129 /nfs/dbraw/zinc/67/61/29/1075676129.db2.gz VDUOSQKZZXFZHN-HXUWFJFHSA-N 2 1 405.539 1.613 20 0 HDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509440982 1075724580 /nfs/dbraw/zinc/72/45/80/1075724580.db2.gz IFVPQQQTGWWVPX-HXUWFJFHSA-N 2 1 417.598 1.360 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000509441663 1075732284 /nfs/dbraw/zinc/73/22/84/1075732284.db2.gz XAVUGXNSYGTNQD-RTBURBONSA-N 2 1 417.598 1.406 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000525741666 1075737656 /nfs/dbraw/zinc/73/76/56/1075737656.db2.gz CGCFGGOWJUUDHY-INIZCTEOSA-N 2 1 405.572 1.616 20 0 HDADMP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306803 1075799502 /nfs/dbraw/zinc/79/95/02/1075799502.db2.gz CAORARGBMSYGDE-CVEARBPZSA-N 2 1 401.477 1.988 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC000509069493 1075986697 /nfs/dbraw/zinc/98/66/97/1075986697.db2.gz NQQXDLHHLGRSIG-GOSISDBHSA-N 2 1 403.531 1.419 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000494800174 1076003143 /nfs/dbraw/zinc/00/31/43/1076003143.db2.gz NBNZJFUHNOIQEO-MOPGFXCFSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)Cc2c(C(=O)NC[C@@H]3CC[N@H+](CC)C3)c(C)cn2C)C1 ZINC000494800174 1076003148 /nfs/dbraw/zinc/00/31/48/1076003148.db2.gz NBNZJFUHNOIQEO-MOPGFXCFSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)Cc2c(C(=O)NC[C@@H]3CC[N@@H+](CC)C3)c(C)cn2C)C1 ZINC000494800174 1076003151 /nfs/dbraw/zinc/00/31/51/1076003151.db2.gz NBNZJFUHNOIQEO-MOPGFXCFSA-N 2 1 417.598 1.406 20 0 HDADMP C[N@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803540 1076655304 /nfs/dbraw/zinc/65/53/04/1076655304.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 2 1 400.523 1.889 20 0 HDADMP C[N@@H+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000730803540 1076655312 /nfs/dbraw/zinc/65/53/12/1076655312.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803540 1076655318 /nfs/dbraw/zinc/65/53/18/1076655318.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 2 1 400.523 1.889 20 0 HDADMP C[NH+](C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000730803540 1076655323 /nfs/dbraw/zinc/65/53/23/1076655323.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 2 1 400.523 1.889 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)NC3CCOCC3)nn2)c2c1CC[NH2+]C2 ZINC001164680547 719645264 /nfs/dbraw/zinc/64/52/64/719645264.db2.gz VNORVBOMVSGFOH-UHFFFAOYSA-N 2 1 413.526 1.057 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)NC3CCOCC3)nn2)c2c1CC[NH2+]C2 ZINC001164680547 719645267 /nfs/dbraw/zinc/64/52/67/719645267.db2.gz VNORVBOMVSGFOH-UHFFFAOYSA-N 2 1 413.526 1.057 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839438 720519048 /nfs/dbraw/zinc/51/90/48/720519048.db2.gz ULGRAAGIQVJHDN-AABGKKOBSA-N 2 1 410.570 1.461 20 0 HDADMP C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1C[NH2+]CC2 ZINC001164855020 720806063 /nfs/dbraw/zinc/80/60/63/720806063.db2.gz WDBIGIOALHWOBD-LBPRGKRZSA-N 2 1 415.929 1.574 20 0 HDADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164743612 720841356 /nfs/dbraw/zinc/84/13/56/720841356.db2.gz JPZIRZIMSNKOEH-HJNYFJLDSA-N 2 1 422.581 1.462 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164854802 720846253 /nfs/dbraw/zinc/84/62/53/720846253.db2.gz SNMJATFDJDRUHZ-AEFFLSMTSA-N 2 1 409.962 1.771 20 0 HDADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)[nH+]cc21 ZINC001164854894 720871666 /nfs/dbraw/zinc/87/16/66/720871666.db2.gz GGBAHTHHCHWQIA-HNAYVOBHSA-N 2 1 402.495 1.913 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867650 721110526 /nfs/dbraw/zinc/11/05/26/721110526.db2.gz ZGCMEKHRJZFRGY-LEWJYISDSA-N 2 1 408.550 1.708 20 0 HDADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894415 721427068 /nfs/dbraw/zinc/42/70/68/721427068.db2.gz MKFQOSTUDJOQLS-JTHBVZDNSA-N 2 1 414.598 1.257 20 0 HDADMP Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890988 721453426 /nfs/dbraw/zinc/45/34/26/721453426.db2.gz TXJTYCRSCOIXEQ-UGKGYDQZSA-N 2 1 400.571 1.237 20 0 HDADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164789404 721455667 /nfs/dbraw/zinc/45/56/67/721455667.db2.gz VJMPLADTPRUZNN-GOSISDBHSA-N 2 1 401.555 1.814 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164789404 721455668 /nfs/dbraw/zinc/45/56/68/721455668.db2.gz VJMPLADTPRUZNN-GOSISDBHSA-N 2 1 401.555 1.814 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164806629 721536384 /nfs/dbraw/zinc/53/63/84/721536384.db2.gz PJPCWZWIAOUFLZ-JQVVWYNYSA-N 2 1 409.538 1.149 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971869 722122049 /nfs/dbraw/zinc/12/20/49/722122049.db2.gz CXVKHJRSZXHPOI-WOJBJXKFSA-N 2 1 409.538 1.009 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971867 722122340 /nfs/dbraw/zinc/12/23/40/722122340.db2.gz CXVKHJRSZXHPOI-UXHICEINSA-N 2 1 409.538 1.009 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429105795 1073591471 /nfs/dbraw/zinc/59/14/71/1073591471.db2.gz VVLIBYUUVSVMGN-UYAOXDASSA-N 2 1 400.571 1.908 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000429105795 1073591482 /nfs/dbraw/zinc/59/14/82/1073591482.db2.gz VVLIBYUUVSVMGN-UYAOXDASSA-N 2 1 400.571 1.908 20 0 HDADMP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670489 1073623914 /nfs/dbraw/zinc/62/39/14/1073623914.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670489 1073623917 /nfs/dbraw/zinc/62/39/17/1073623917.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673670489 1073623925 /nfs/dbraw/zinc/62/39/25/1073623925.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623930 /nfs/dbraw/zinc/62/39/30/1073623930.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 1 400.567 1.250 20 0 HDADMP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623937 /nfs/dbraw/zinc/62/39/37/1073623937.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 1 400.567 1.250 20 0 HDADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777941 1073734329 /nfs/dbraw/zinc/73/43/29/1073734329.db2.gz QGZSXZTYRSLDBV-IFMALSPDSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777941 1073734339 /nfs/dbraw/zinc/73/43/39/1073734339.db2.gz QGZSXZTYRSLDBV-IFMALSPDSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777941 1073734347 /nfs/dbraw/zinc/73/43/47/1073734347.db2.gz QGZSXZTYRSLDBV-IFMALSPDSA-N 2 1 417.598 1.603 20 0 HDADMP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000673788898 1073744223 /nfs/dbraw/zinc/74/42/23/1073744223.db2.gz DICXPPCJDUMAGN-UHFFFAOYSA-N 2 1 417.554 1.251 20 0 HDADMP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000673788898 1073744226 /nfs/dbraw/zinc/74/42/26/1073744226.db2.gz DICXPPCJDUMAGN-UHFFFAOYSA-N 2 1 417.554 1.251 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000673868663 1073846356 /nfs/dbraw/zinc/84/63/56/1073846356.db2.gz CZMZPRYLYBCQEM-UHFFFAOYSA-N 2 1 403.506 1.528 20 0 HDADMP C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000670445091 1074000201 /nfs/dbraw/zinc/00/02/01/1074000201.db2.gz USHCQKMCGJEBLB-CTNGQTDRSA-N 2 1 415.582 1.082 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000674089368 1074179959 /nfs/dbraw/zinc/17/99/59/1074179959.db2.gz DTCBUGIXNZPZKA-UXHICEINSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000674089368 1074179967 /nfs/dbraw/zinc/17/99/67/1074179967.db2.gz DTCBUGIXNZPZKA-UXHICEINSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000674089368 1074179972 /nfs/dbraw/zinc/17/99/72/1074179972.db2.gz DTCBUGIXNZPZKA-UXHICEINSA-N 2 1 404.599 1.994 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710073 1074537019 /nfs/dbraw/zinc/53/70/19/1074537019.db2.gz WPRUHKRTRMWEMT-NCOADZHNSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710075 1074537287 /nfs/dbraw/zinc/53/72/87/1074537287.db2.gz WPRUHKRTRMWEMT-YVSFHVDLSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C)[NH+](C4CC4)C3)n2)C[N@@H+]1C1CC1 ZINC000674710075 1074537295 /nfs/dbraw/zinc/53/72/95/1074537295.db2.gz WPRUHKRTRMWEMT-YVSFHVDLSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C)[NH+](C4CC4)C3)n2)C[N@H+]1C1CC1 ZINC000674710075 1074537303 /nfs/dbraw/zinc/53/73/03/1074537303.db2.gz WPRUHKRTRMWEMT-YVSFHVDLSA-N 2 1 411.550 1.792 20 0 HDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879444 1074599985 /nfs/dbraw/zinc/59/99/85/1074599985.db2.gz STEGQRGBYRIAPG-GOSISDBHSA-N 2 1 420.554 1.688 20 0 HDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879444 1074599994 /nfs/dbraw/zinc/59/99/94/1074599994.db2.gz STEGQRGBYRIAPG-GOSISDBHSA-N 2 1 420.554 1.688 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103083 1074719588 /nfs/dbraw/zinc/71/95/88/1074719588.db2.gz IFGIBCKYMQAVKQ-HJNYFJLDSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103083 1074719600 /nfs/dbraw/zinc/71/96/00/1074719600.db2.gz IFGIBCKYMQAVKQ-HJNYFJLDSA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103083 1074719611 /nfs/dbraw/zinc/71/96/11/1074719611.db2.gz IFGIBCKYMQAVKQ-HJNYFJLDSA-N 2 1 415.582 1.355 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511682 1075191121 /nfs/dbraw/zinc/19/11/21/1075191121.db2.gz RIVYULWIYGOPLQ-GUDVDZBRSA-N 2 1 414.550 1.675 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675535683 1075193793 /nfs/dbraw/zinc/19/37/93/1075193793.db2.gz JZGDDQFNMANYLA-NRFANRHFSA-N 2 1 415.582 1.704 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675535683 1075193797 /nfs/dbraw/zinc/19/37/97/1075193797.db2.gz JZGDDQFNMANYLA-NRFANRHFSA-N 2 1 415.582 1.704 20 0 HDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000676090328 1075375346 /nfs/dbraw/zinc/37/53/46/1075375346.db2.gz XWTQAHFLJPPFNV-SFHVURJKSA-N 2 1 404.474 1.987 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557395 /nfs/dbraw/zinc/55/73/95/1075557395.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557401 /nfs/dbraw/zinc/55/74/01/1075557401.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557406 /nfs/dbraw/zinc/55/74/06/1075557406.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 2 1 424.549 1.787 20 0 HDADMP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437380 1075558823 /nfs/dbraw/zinc/55/88/23/1075558823.db2.gz ZKIIKOOPNGFWQT-PCCBWWKXSA-N 2 1 423.646 1.791 20 0 HDADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437380 1075558830 /nfs/dbraw/zinc/55/88/30/1075558830.db2.gz ZKIIKOOPNGFWQT-PCCBWWKXSA-N 2 1 423.646 1.791 20 0 HDADMP C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437380 1075558839 /nfs/dbraw/zinc/55/88/39/1075558839.db2.gz ZKIIKOOPNGFWQT-PCCBWWKXSA-N 2 1 423.646 1.791 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676500813 1075570191 /nfs/dbraw/zinc/57/01/91/1075570191.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676500813 1075570196 /nfs/dbraw/zinc/57/01/96/1075570196.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676500813 1075570205 /nfs/dbraw/zinc/57/02/05/1075570205.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 2 1 405.587 1.051 20 0 HDADMP c1ccc(C[N@H+]2CCCO[C@@H](CNC3CC[NH+](CCN4CCOCC4)CC3)C2)cc1 ZINC000429451411 1075617560 /nfs/dbraw/zinc/61/75/60/1075617560.db2.gz XRPRIRMLLGRPGA-DEOSSOPVSA-N 2 1 416.610 1.664 20 0 HDADMP c1ccc(C[N@H+]2CCCO[C@H](CNC3CC[NH+](CCN4CCOCC4)CC3)C2)cc1 ZINC000429451415 1075617626 /nfs/dbraw/zinc/61/76/26/1075617626.db2.gz XRPRIRMLLGRPGA-XMMPIXPASA-N 2 1 416.610 1.664 20 0 HDADMP COCC[NH+](CCOC)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000568428009 1075633864 /nfs/dbraw/zinc/63/38/64/1075633864.db2.gz ZKBRTZMGJDPTQS-UHFFFAOYSA-N 2 1 419.526 1.793 20 0 HDADMP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000543687352 1075712061 /nfs/dbraw/zinc/71/20/61/1075712061.db2.gz IBMUZTCHJBUAME-OAQYLSRUSA-N 2 1 404.555 1.241 20 0 HDADMP C[NH+](CCCO)C1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000543687352 1075712069 /nfs/dbraw/zinc/71/20/69/1075712069.db2.gz IBMUZTCHJBUAME-OAQYLSRUSA-N 2 1 404.555 1.241 20 0 HDADMP C[NH+](CCCO)C1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000543687352 1075712076 /nfs/dbraw/zinc/71/20/76/1075712076.db2.gz IBMUZTCHJBUAME-OAQYLSRUSA-N 2 1 404.555 1.241 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000509447412 1075759543 /nfs/dbraw/zinc/75/95/43/1075759543.db2.gz BVASNNIOCNCSQH-LJQANCHMSA-N 2 1 415.582 1.629 20 0 HDADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)C1 ZINC000550799518 1075797865 /nfs/dbraw/zinc/79/78/65/1075797865.db2.gz MVOYMJBBSGPFHN-KRWDZBQOSA-N 2 1 412.538 2.254 20 0 HDADMP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306806 1075799378 /nfs/dbraw/zinc/79/93/78/1075799378.db2.gz CAORARGBMSYGDE-JKSUJKDBSA-N 2 1 401.477 1.988 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000493468385 1075991524 /nfs/dbraw/zinc/99/15/24/1075991524.db2.gz WFORHTDPXAVEEW-XMTFNYHQSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000493468385 1075991527 /nfs/dbraw/zinc/99/15/27/1075991527.db2.gz WFORHTDPXAVEEW-XMTFNYHQSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000493468385 1075991529 /nfs/dbraw/zinc/99/15/29/1075991529.db2.gz WFORHTDPXAVEEW-XMTFNYHQSA-N 2 1 400.523 1.612 20 0 HDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733160160 1075994304 /nfs/dbraw/zinc/99/43/04/1075994304.db2.gz OJNMSFRQVIWBJQ-QFIPXVFZSA-N 2 1 400.567 1.564 20 0 HDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536050957 1076255134 /nfs/dbraw/zinc/25/51/34/1076255134.db2.gz TXVVREQZWZNFIH-VXKWHMMOSA-N 2 1 423.561 1.761 20 0 HDADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536050957 1076255138 /nfs/dbraw/zinc/25/51/38/1076255138.db2.gz TXVVREQZWZNFIH-VXKWHMMOSA-N 2 1 423.561 1.761 20 0 HDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728053052 1076321157 /nfs/dbraw/zinc/32/11/57/1076321157.db2.gz GKRIDEQAWHWFSK-GHTZIAJQSA-N 2 1 417.550 1.608 20 0 HDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728053052 1076321166 /nfs/dbraw/zinc/32/11/66/1076321166.db2.gz GKRIDEQAWHWFSK-GHTZIAJQSA-N 2 1 417.550 1.608 20 0 HDADMP C[NH+]1CCC(NC(=S)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000730949323 1076699930 /nfs/dbraw/zinc/69/99/30/1076699930.db2.gz COOQTTMYAWPURV-GOSISDBHSA-N 2 1 403.596 1.442 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164448993 718998745 /nfs/dbraw/zinc/99/87/45/718998745.db2.gz KZXJQBHKHAKPGY-MNEFBYGVSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164448993 718998746 /nfs/dbraw/zinc/99/87/46/718998746.db2.gz KZXJQBHKHAKPGY-MNEFBYGVSA-N 2 1 401.555 1.821 20 0 HDADMP COc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(N2CCCCCC2)n1 ZINC001164679639 719639487 /nfs/dbraw/zinc/63/94/87/719639487.db2.gz JMJGRIUVLMGJIG-UHFFFAOYSA-N 2 1 414.558 1.932 20 0 HDADMP COc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(N2CCCCCC2)n1 ZINC001164679639 719639493 /nfs/dbraw/zinc/63/94/93/719639493.db2.gz JMJGRIUVLMGJIG-UHFFFAOYSA-N 2 1 414.558 1.932 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(O[C@H]3CCOC3)n2)c2c1CC[NH2+]C2 ZINC001164680690 719651007 /nfs/dbraw/zinc/65/10/07/719651007.db2.gz HRJUHRANAMSRND-ZDUSSCGKSA-N 2 1 406.918 1.969 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(O[C@H]3CCOC3)n2)c2c1CC[NH2+]C2 ZINC001164680690 719651020 /nfs/dbraw/zinc/65/10/20/719651020.db2.gz HRJUHRANAMSRND-ZDUSSCGKSA-N 2 1 406.918 1.969 20 0 HDADMP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743361 720742670 /nfs/dbraw/zinc/74/26/70/720742670.db2.gz PSNMOTOTQVKTSO-OALUTQOASA-N 2 1 410.522 1.688 20 0 HDADMP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743363 720744374 /nfs/dbraw/zinc/74/43/74/720744374.db2.gz PSNMOTOTQVKTSO-RBUKOAKNSA-N 2 1 410.522 1.688 20 0 HDADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749292 720800781 /nfs/dbraw/zinc/80/07/81/720800781.db2.gz TVHHVZBLXFHARB-FXAWDEMLSA-N 2 1 410.522 1.687 20 0 HDADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749294 720801066 /nfs/dbraw/zinc/80/10/66/720801066.db2.gz TVHHVZBLXFHARB-XLIONFOSSA-N 2 1 410.522 1.687 20 0 HDADMP C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@@H+](C)CC3)c2c1C[NH2+]CC2 ZINC001164855017 720806394 /nfs/dbraw/zinc/80/63/94/720806394.db2.gz WDBIGIOALHWOBD-GFCCVEGCSA-N 2 1 415.929 1.574 20 0 HDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749283 720839553 /nfs/dbraw/zinc/83/95/53/720839553.db2.gz VPQYXQALGZDJBO-JAXLGGSGSA-N 2 1 422.581 1.915 20 0 HDADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895418 721425593 /nfs/dbraw/zinc/42/55/93/721425593.db2.gz OUTJPEAWYMMTPY-OFNKIYASSA-N 2 1 414.598 1.709 20 0 HDADMP CN(C)C(=O)CN1CCC2(CCCN2c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165010983 721743485 /nfs/dbraw/zinc/74/34/85/721743485.db2.gz RQRIPFYSHNOPLD-UHFFFAOYSA-N 2 1 400.571 1.532 20 0 HDADMP Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164984765 722104930 /nfs/dbraw/zinc/10/49/30/722104930.db2.gz UWYFRSXLZVDEJG-VQIMIIECSA-N 2 1 414.941 1.898 20 0 HDADMP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)c1 ZINC000673673714 1073629996 /nfs/dbraw/zinc/62/99/96/1073629996.db2.gz UVBRAPOLMAOWMN-HSZRJFAPSA-N 2 1 413.610 1.746 20 0 HDADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000673802072 1073750871 /nfs/dbraw/zinc/75/08/71/1073750871.db2.gz IKCXEKRSUAUSEO-HXUWFJFHSA-N 2 1 416.566 1.384 20 0 HDADMP C[C@H]1C[NH+](CCC2CCN(C(=O)NC3CC[NH+](CCN(C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182779 1073981954 /nfs/dbraw/zinc/98/19/54/1073981954.db2.gz NHDNVHCEWWBNIY-PMACEKPBSA-N 2 1 423.646 1.933 20 0 HDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674411567 1074313122 /nfs/dbraw/zinc/31/31/22/1074313122.db2.gz DSWNUWQTTLAKMC-HXUWFJFHSA-N 2 1 401.555 1.129 20 0 HDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000674403700 1074315511 /nfs/dbraw/zinc/31/55/11/1074315511.db2.gz IHJDYXVYGZAEMQ-NRFANRHFSA-N 2 1 421.630 1.691 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000477081850 1074788980 /nfs/dbraw/zinc/78/89/80/1074788980.db2.gz NEUWXFFPOFJKJF-TYPHKJRUSA-N 2 1 423.646 1.629 20 0 HDADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165360 1075200734 /nfs/dbraw/zinc/20/07/34/1075200734.db2.gz FPGFRTOQBQYFLU-DZKIICNBSA-N 2 1 403.570 1.546 20 0 HDADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165360 1075200740 /nfs/dbraw/zinc/20/07/40/1075200740.db2.gz FPGFRTOQBQYFLU-DZKIICNBSA-N 2 1 403.570 1.546 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000509358507 1075239517 /nfs/dbraw/zinc/23/95/17/1075239517.db2.gz PJIYGOQYXNVJQV-UHFFFAOYSA-N 2 1 423.602 1.217 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1Cc1ccccc1 ZINC000676099070 1075365831 /nfs/dbraw/zinc/36/58/31/1075365831.db2.gz BQFBNACBWMZXLW-AEFFLSMTSA-N 2 1 404.474 1.985 20 0 HDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000731498020 1075368644 /nfs/dbraw/zinc/36/86/44/1075368644.db2.gz HQHZSEWJYOIOBQ-UHFFFAOYSA-N 2 1 413.526 1.318 20 0 HDADMP CC[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000676089858 1075372202 /nfs/dbraw/zinc/37/22/02/1075372202.db2.gz KAYXNDVBELNYQF-FQEVSTJZSA-N 2 1 412.538 1.336 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000676129450 1075390042 /nfs/dbraw/zinc/39/00/42/1075390042.db2.gz KQBUJNHLBUEWBL-QUCCMNQESA-N 2 1 400.527 1.449 20 0 HDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)CC2)C1 ZINC000676167895 1075416763 /nfs/dbraw/zinc/41/67/63/1075416763.db2.gz LPTRVDCULXGPFL-PCCBWWKXSA-N 2 1 407.603 1.176 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676281287 1075489209 /nfs/dbraw/zinc/48/92/09/1075489209.db2.gz VQLLIKVQWKTJGD-UWVAXJGDSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676281287 1075489213 /nfs/dbraw/zinc/48/92/13/1075489213.db2.gz VQLLIKVQWKTJGD-UWVAXJGDSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281287 1075489217 /nfs/dbraw/zinc/48/92/17/1075489217.db2.gz VQLLIKVQWKTJGD-UWVAXJGDSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281287 1075489222 /nfs/dbraw/zinc/48/92/22/1075489222.db2.gz VQLLIKVQWKTJGD-UWVAXJGDSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307445 1075493207 /nfs/dbraw/zinc/49/32/07/1075493207.db2.gz PLJXRZFGZPFRJY-TZIWHRDSSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676307445 1075493211 /nfs/dbraw/zinc/49/32/11/1075493211.db2.gz PLJXRZFGZPFRJY-TZIWHRDSSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676307445 1075493216 /nfs/dbraw/zinc/49/32/16/1075493216.db2.gz PLJXRZFGZPFRJY-TZIWHRDSSA-N 2 1 403.571 1.165 20 0 HDADMP C[C@@H](NC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676307445 1075493218 /nfs/dbraw/zinc/49/32/18/1075493218.db2.gz PLJXRZFGZPFRJY-TZIWHRDSSA-N 2 1 403.571 1.165 20 0 HDADMP Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676344397 1075518652 /nfs/dbraw/zinc/51/86/52/1075518652.db2.gz CCJNZHIZEAZYTQ-LJQANCHMSA-N 2 1 424.549 1.547 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557505 /nfs/dbraw/zinc/55/75/05/1075557505.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557509 /nfs/dbraw/zinc/55/75/09/1075557509.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 2 1 424.549 1.787 20 0 HDADMP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557512 /nfs/dbraw/zinc/55/75/12/1075557512.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 2 1 424.549 1.787 20 0 HDADMP S=C(NCCC[NH+]1CCOCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000731951534 1075573516 /nfs/dbraw/zinc/57/35/16/1075573516.db2.gz USLXSXMFAZTBPZ-UHFFFAOYSA-N 2 1 406.596 1.848 20 0 HDADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000676546597 1075593818 /nfs/dbraw/zinc/59/38/18/1075593818.db2.gz JGXJXEUJTZHNSR-UHFFFAOYSA-N 2 1 412.538 1.426 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676547685 1075595444 /nfs/dbraw/zinc/59/54/44/1075595444.db2.gz BPQCNALCXDJYEE-LJQANCHMSA-N 2 1 412.538 1.412 20 0 HDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702063 1075651937 /nfs/dbraw/zinc/65/19/37/1075651937.db2.gz PKWCJUQNEWZAIU-GGAORHGYSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000676702063 1075651944 /nfs/dbraw/zinc/65/19/44/1075651944.db2.gz PKWCJUQNEWZAIU-GGAORHGYSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702065 1075652146 /nfs/dbraw/zinc/65/21/46/1075652146.db2.gz PKWCJUQNEWZAIU-GMAHTHKFSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000676702065 1075652151 /nfs/dbraw/zinc/65/21/51/1075652151.db2.gz PKWCJUQNEWZAIU-GMAHTHKFSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000509442902 1075734448 /nfs/dbraw/zinc/73/44/48/1075734448.db2.gz VHPVKIQHQCBIJG-UXHICEINSA-N 2 1 415.582 1.114 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000509442902 1075734449 /nfs/dbraw/zinc/73/44/49/1075734449.db2.gz VHPVKIQHQCBIJG-UXHICEINSA-N 2 1 415.582 1.114 20 0 HDADMP C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000727079024 1076039628 /nfs/dbraw/zinc/03/96/28/1076039628.db2.gz SVYKYIOMOMMHLB-UHFFFAOYSA-N 2 1 405.612 1.877 20 0 HDADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000028888750 1076362271 /nfs/dbraw/zinc/36/22/71/1076362271.db2.gz JQYBILGWCGVTKF-YLJYHZDGSA-N 2 1 407.580 1.796 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950528 1076700377 /nfs/dbraw/zinc/70/03/77/1076700377.db2.gz PQRYMRGBKSANDU-VQTJNVASSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950528 1076700383 /nfs/dbraw/zinc/70/03/83/1076700383.db2.gz PQRYMRGBKSANDU-VQTJNVASSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950528 1076700392 /nfs/dbraw/zinc/70/03/92/1076700392.db2.gz PQRYMRGBKSANDU-VQTJNVASSA-N 2 1 417.623 1.832 20 0 HDADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817141 720184705 /nfs/dbraw/zinc/18/47/05/720184705.db2.gz OGEBOMZIMLDDPH-DENIHFKCSA-N 2 1 400.571 1.413 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164817141 720184707 /nfs/dbraw/zinc/18/47/07/720184707.db2.gz OGEBOMZIMLDDPH-DENIHFKCSA-N 2 1 400.571 1.413 20 0 HDADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+][nH]c(Cl)c3ncnc1-3)CCC2 ZINC001164813417 720229589 /nfs/dbraw/zinc/22/95/89/720229589.db2.gz OAKYBWAJMFZUJU-UHFFFAOYSA-N 2 1 402.890 1.814 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+][nH]c(Cl)c3ncnc1-3)CCC2 ZINC001164813417 720229598 /nfs/dbraw/zinc/22/95/98/720229598.db2.gz OAKYBWAJMFZUJU-UHFFFAOYSA-N 2 1 402.890 1.814 20 0 HDADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164816749 720249588 /nfs/dbraw/zinc/24/95/88/720249588.db2.gz MATQZFODDYDELG-GOSISDBHSA-N 2 1 410.522 1.890 20 0 HDADMP c1ncn(C[C@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749287 720839608 /nfs/dbraw/zinc/83/96/08/720839608.db2.gz VPQYXQALGZDJBO-KCZVDYSFSA-N 2 1 422.581 1.915 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164865853 721058948 /nfs/dbraw/zinc/05/89/48/721058948.db2.gz APAGUGFJMNNBPW-HZPDHXFCSA-N 2 1 400.914 1.650 20 0 HDADMP CCc1cc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863321 721112156 /nfs/dbraw/zinc/11/21/56/721112156.db2.gz BVENSSUALDXAHV-LEWJYISDSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164863321 721112159 /nfs/dbraw/zinc/11/21/59/721112159.db2.gz BVENSSUALDXAHV-LEWJYISDSA-N 2 1 424.549 1.750 20 0 HDADMP CCc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762684 721165184 /nfs/dbraw/zinc/16/51/84/721165184.db2.gz DDIJPCANVWQKMH-RTBURBONSA-N 2 1 411.554 1.567 20 0 HDADMP CCc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762684 721165187 /nfs/dbraw/zinc/16/51/87/721165187.db2.gz DDIJPCANVWQKMH-RTBURBONSA-N 2 1 411.554 1.567 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904682 721544185 /nfs/dbraw/zinc/54/41/85/721544185.db2.gz FZFJUAFDAJMPOQ-ICSRJNTNSA-N 2 1 412.513 1.885 20 0 HDADMP Cc1ccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959036 722025511 /nfs/dbraw/zinc/02/55/11/722025511.db2.gz HOJXUYZMSGOYSA-AVRDEDQJSA-N 2 1 424.553 1.376 20 0 HDADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429045242 1073460771 /nfs/dbraw/zinc/46/07/71/1073460771.db2.gz SMLRVVONRUBQRY-LEWJYISDSA-N 2 1 418.607 1.968 20 0 HDADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429045242 1073460776 /nfs/dbraw/zinc/46/07/76/1073460776.db2.gz SMLRVVONRUBQRY-LEWJYISDSA-N 2 1 418.607 1.968 20 0 HDADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673658226 1073605173 /nfs/dbraw/zinc/60/51/73/1073605173.db2.gz GXYXRTXBMVGPEY-QZTJIDSGSA-N 2 1 401.555 1.708 20 0 HDADMP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670114 1073624711 /nfs/dbraw/zinc/62/47/11/1073624711.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 2 1 414.598 1.221 20 0 HDADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673769145 1073713197 /nfs/dbraw/zinc/71/31/97/1073713197.db2.gz OXLONCHKKAEYDG-GOSISDBHSA-N 2 1 401.555 1.503 20 0 HDADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673769145 1073713201 /nfs/dbraw/zinc/71/32/01/1073713201.db2.gz OXLONCHKKAEYDG-GOSISDBHSA-N 2 1 401.555 1.503 20 0 HDADMP Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673958858 1073938484 /nfs/dbraw/zinc/93/84/84/1073938484.db2.gz YGEGPBKMKVFRDR-OAQYLSRUSA-N 2 1 414.579 1.731 20 0 HDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000674038731 1074109665 /nfs/dbraw/zinc/10/96/65/1074109665.db2.gz BJGUKUBGVZTEPX-IBGZPJMESA-N 2 1 401.555 1.234 20 0 HDADMP COC1CC[NH+](CCNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000674316697 1074265960 /nfs/dbraw/zinc/26/59/60/1074265960.db2.gz HGZDVHVXYYVLMR-LJQANCHMSA-N 2 1 403.527 1.369 20 0 HDADMP COC1CC[NH+](CCNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000674316697 1074265962 /nfs/dbraw/zinc/26/59/62/1074265962.db2.gz HGZDVHVXYYVLMR-LJQANCHMSA-N 2 1 403.527 1.369 20 0 HDADMP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000674329920 1074279165 /nfs/dbraw/zinc/27/91/65/1074279165.db2.gz UTOJMRWPCWMGOE-SFHVURJKSA-N 2 1 404.559 1.002 20 0 HDADMP CS(=O)(=O)CC1CC[NH+](CCCCC[NH+]2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429229535 1074319467 /nfs/dbraw/zinc/31/94/67/1074319467.db2.gz HWPOFKRACSFPTB-UHFFFAOYSA-N 2 1 422.657 1.670 20 0 HDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000674686716 1074524064 /nfs/dbraw/zinc/52/40/64/1074524064.db2.gz BMLPKIXYYQVZDK-SFHVURJKSA-N 2 1 414.554 1.650 20 0 HDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484100 1074570220 /nfs/dbraw/zinc/57/02/20/1074570220.db2.gz VTQVHPOTWZUUPS-OAQYLSRUSA-N 2 1 416.566 1.240 20 0 HDADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000675201147 1074756266 /nfs/dbraw/zinc/75/62/66/1074756266.db2.gz ZNUOSCHTKGOYOV-FQEVSTJZSA-N 2 1 407.603 1.837 20 0 HDADMP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527675 1075152402 /nfs/dbraw/zinc/15/24/02/1075152402.db2.gz WBRROWLNDZZMAA-QUCCMNQESA-N 2 1 402.539 1.549 20 0 HDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000429349557 1075162785 /nfs/dbraw/zinc/16/27/85/1075162785.db2.gz NJBODGPAXZOQOJ-QGZVFWFLSA-N 2 1 405.543 1.367 20 0 HDADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000429349557 1075162787 /nfs/dbraw/zinc/16/27/87/1075162787.db2.gz NJBODGPAXZOQOJ-QGZVFWFLSA-N 2 1 405.543 1.367 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675535684 1075193811 /nfs/dbraw/zinc/19/38/11/1075193811.db2.gz JZGDDQFNMANYLA-OAQYLSRUSA-N 2 1 415.582 1.704 20 0 HDADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000675535684 1075193814 /nfs/dbraw/zinc/19/38/14/1075193814.db2.gz JZGDDQFNMANYLA-OAQYLSRUSA-N 2 1 415.582 1.704 20 0 HDADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000543644337 1075263606 /nfs/dbraw/zinc/26/36/06/1075263606.db2.gz GCNCUIPPLIJNFR-GOSISDBHSA-N 2 1 403.575 1.360 20 0 HDADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097070 1075360401 /nfs/dbraw/zinc/36/04/01/1075360401.db2.gz TYGVFVNADSFAGP-QZTJIDSGSA-N 2 1 404.559 1.496 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474381 1075361111 /nfs/dbraw/zinc/36/11/11/1075361111.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474381 1075361117 /nfs/dbraw/zinc/36/11/17/1075361117.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474381 1075361121 /nfs/dbraw/zinc/36/11/21/1075361121.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 2 1 410.522 1.157 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676099758 1075364978 /nfs/dbraw/zinc/36/49/78/1075364978.db2.gz WOIPDRIYAVFJGO-IEBWSBKVSA-N 2 1 412.538 1.553 20 0 HDADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000676090327 1075375194 /nfs/dbraw/zinc/37/51/94/1075375194.db2.gz XWTQAHFLJPPFNV-GOSISDBHSA-N 2 1 404.474 1.987 20 0 HDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CC2)C1 ZINC000676167863 1075416701 /nfs/dbraw/zinc/41/67/01/1075416701.db2.gz LPTRVDCULXGPFL-ACRUOGEOSA-N 2 1 407.603 1.176 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243162 1075444004 /nfs/dbraw/zinc/44/40/04/1075444004.db2.gz JVKFDXUZKQNUCC-IFMALSPDSA-N 2 1 417.598 1.916 20 0 HDADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243162 1075444008 /nfs/dbraw/zinc/44/40/08/1075444008.db2.gz JVKFDXUZKQNUCC-IFMALSPDSA-N 2 1 417.598 1.916 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279059 1075478605 /nfs/dbraw/zinc/47/86/05/1075478605.db2.gz LUKBYESFOCBAFD-PXNSSMCTSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279059 1075478606 /nfs/dbraw/zinc/47/86/06/1075478606.db2.gz LUKBYESFOCBAFD-PXNSSMCTSA-N 2 1 402.539 1.692 20 0 HDADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426912360 1075503339 /nfs/dbraw/zinc/50/33/39/1075503339.db2.gz UDJUKVHOWBEMIX-KRWDZBQOSA-N 2 1 418.586 2.105 20 0 HDADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676307705 1075505210 /nfs/dbraw/zinc/50/52/10/1075505210.db2.gz ZCEIYIJOXIHTDV-UHFFFAOYSA-N 2 1 404.559 1.378 20 0 HDADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676316802 1075506473 /nfs/dbraw/zinc/50/64/73/1075506473.db2.gz AJFCXVVMWZKBGN-SIKLNZKXSA-N 2 1 400.567 1.562 20 0 HDADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000466731830 1075568688 /nfs/dbraw/zinc/56/86/88/1075568688.db2.gz UBMUERZDZXVTIV-LJQANCHMSA-N 2 1 405.539 1.765 20 0 HDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000429464253 1075678550 /nfs/dbraw/zinc/67/85/50/1075678550.db2.gz DPTVLQHXOXBPEP-RBUKOAKNSA-N 2 1 415.582 1.609 20 0 HDADMP C[NH+]1CCN([C@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307489 1075695724 /nfs/dbraw/zinc/69/57/24/1075695724.db2.gz HDFFPLLFTRFSHR-YADHBBJMSA-N 2 1 400.567 1.735 20 0 HDADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000509441662 1075732220 /nfs/dbraw/zinc/73/22/20/1075732220.db2.gz XAVUGXNSYGTNQD-RBUKOAKNSA-N 2 1 417.598 1.406 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000509441661 1075732267 /nfs/dbraw/zinc/73/22/67/1075732267.db2.gz XAVUGXNSYGTNQD-OALUTQOASA-N 2 1 417.598 1.406 20 0 HDADMP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000608328071 1075769807 /nfs/dbraw/zinc/76/98/07/1075769807.db2.gz UOOWONLMMULXPI-PKOBYXMFSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000608328071 1075769818 /nfs/dbraw/zinc/76/98/18/1075769818.db2.gz UOOWONLMMULXPI-PKOBYXMFSA-N 2 1 400.527 1.856 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000728055585 1076322531 /nfs/dbraw/zinc/32/25/31/1076322531.db2.gz VVUZSNGZKZFRGZ-SFHVURJKSA-N 2 1 402.539 1.852 20 0 HDADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000025702398 1076353299 /nfs/dbraw/zinc/35/32/99/1076353299.db2.gz SGFKOQAFIQXLFP-HNNXBMFYSA-N 2 1 413.522 1.013 20 0 HDADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000731161813 1076739985 /nfs/dbraw/zinc/73/99/85/1076739985.db2.gz ATEDCETXVJJMSU-LJQANCHMSA-N 2 1 409.644 1.611 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000731161813 1076739992 /nfs/dbraw/zinc/73/99/92/1076739992.db2.gz ATEDCETXVJJMSU-LJQANCHMSA-N 2 1 409.644 1.611 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164720683 720276907 /nfs/dbraw/zinc/27/69/07/720276907.db2.gz CETAEKRKMKPMAO-HXUWFJFHSA-N 2 1 407.946 1.046 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164720683 720276926 /nfs/dbraw/zinc/27/69/26/720276926.db2.gz CETAEKRKMKPMAO-HXUWFJFHSA-N 2 1 407.946 1.046 20 0 HDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744168 720809770 /nfs/dbraw/zinc/80/97/70/720809770.db2.gz HQVFTXPKTWXMRZ-BBTUJRGHSA-N 2 1 408.554 1.136 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164808164 721580239 /nfs/dbraw/zinc/58/02/39/721580239.db2.gz PZUZPIVMDBXORA-TXTKFYIRSA-N 2 1 424.549 1.871 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164808164 721580240 /nfs/dbraw/zinc/58/02/40/721580240.db2.gz PZUZPIVMDBXORA-TXTKFYIRSA-N 2 1 424.549 1.871 20 0 HDADMP O=C1COc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2N1 ZINC001164963156 722056190 /nfs/dbraw/zinc/05/61/90/722056190.db2.gz HSOJCBMAKQDBFY-UHFFFAOYSA-N 2 1 409.490 1.927 20 0 HDADMP O=C1COc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2N1 ZINC001164963156 722056192 /nfs/dbraw/zinc/05/61/92/722056192.db2.gz HSOJCBMAKQDBFY-UHFFFAOYSA-N 2 1 409.490 1.927 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978364 722102095 /nfs/dbraw/zinc/10/20/95/722102095.db2.gz GTATXHBIQMTXIR-NHCUHLMSSA-N 2 1 423.565 1.351 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971868 722122594 /nfs/dbraw/zinc/12/25/94/722122594.db2.gz CXVKHJRSZXHPOI-VQTJNVASSA-N 2 1 409.538 1.009 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978058 722130347 /nfs/dbraw/zinc/13/03/47/722130347.db2.gz JKLVGYDNZKTHPH-TZIWHRDSSA-N 2 1 423.565 1.526 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)CC1 ZINC001164997761 722235994 /nfs/dbraw/zinc/23/59/94/722235994.db2.gz VTSIUXDCWHBAMY-UHFFFAOYSA-N 2 1 409.538 1.065 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000673637212 1073463860 /nfs/dbraw/zinc/46/38/60/1073463860.db2.gz JZSMKNYNEPEDHZ-QHCPKHFHSA-N 2 1 410.518 1.554 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429105791 1073591581 /nfs/dbraw/zinc/59/15/81/1073591581.db2.gz VVLIBYUUVSVMGN-ICSRJNTNSA-N 2 1 400.571 1.908 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000429105791 1073591590 /nfs/dbraw/zinc/59/15/90/1073591590.db2.gz VVLIBYUUVSVMGN-ICSRJNTNSA-N 2 1 400.571 1.908 20 0 HDADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653415 /nfs/dbraw/zinc/65/34/15/1073653415.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653419 /nfs/dbraw/zinc/65/34/19/1073653419.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 2 1 402.583 1.666 20 0 HDADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653422 /nfs/dbraw/zinc/65/34/22/1073653422.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 2 1 402.583 1.666 20 0 HDADMP C[C@@H](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777943 1073734168 /nfs/dbraw/zinc/73/41/68/1073734168.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777943 1073734175 /nfs/dbraw/zinc/73/41/75/1073734175.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777943 1073734184 /nfs/dbraw/zinc/73/41/84/1073734184.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 2 1 417.598 1.603 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000501238174 1073766163 /nfs/dbraw/zinc/76/61/63/1073766163.db2.gz RIMFQJQFWIWRAJ-QGZVFWFLSA-N 2 1 417.554 1.249 20 0 HDADMP C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000673868613 1073846380 /nfs/dbraw/zinc/84/63/80/1073846380.db2.gz BVAMUDZYGNLHMD-YLJYHZDGSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000673868613 1073846392 /nfs/dbraw/zinc/84/63/92/1073846392.db2.gz BVAMUDZYGNLHMD-YLJYHZDGSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000673868610 1073846478 /nfs/dbraw/zinc/84/64/78/1073846478.db2.gz BVAMUDZYGNLHMD-FXAWDEMLSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000673868610 1073846485 /nfs/dbraw/zinc/84/64/85/1073846485.db2.gz BVAMUDZYGNLHMD-FXAWDEMLSA-N 2 1 400.527 1.856 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000674089371 1074180008 /nfs/dbraw/zinc/18/00/08/1074180008.db2.gz DTCBUGIXNZPZKA-VQTJNVASSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674089371 1074180015 /nfs/dbraw/zinc/18/00/15/1074180015.db2.gz DTCBUGIXNZPZKA-VQTJNVASSA-N 2 1 404.599 1.994 20 0 HDADMP CC(C)(CCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000674089371 1074180018 /nfs/dbraw/zinc/18/00/18/1074180018.db2.gz DTCBUGIXNZPZKA-VQTJNVASSA-N 2 1 404.599 1.994 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000477112165 1074817418 /nfs/dbraw/zinc/81/74/18/1074817418.db2.gz ZSVRIOIPFPYFKN-ZWKOTPCHSA-N 2 1 404.555 1.370 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000477112165 1074817437 /nfs/dbraw/zinc/81/74/37/1074817437.db2.gz ZSVRIOIPFPYFKN-ZWKOTPCHSA-N 2 1 404.555 1.370 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249635 1075118439 /nfs/dbraw/zinc/11/84/39/1075118439.db2.gz SQIFOQHJGPENAF-HNNXBMFYSA-N 2 1 407.540 1.832 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249635 1075118441 /nfs/dbraw/zinc/11/84/41/1075118441.db2.gz SQIFOQHJGPENAF-HNNXBMFYSA-N 2 1 407.540 1.832 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581681 1075212666 /nfs/dbraw/zinc/21/26/66/1075212666.db2.gz HHXROGWMOKOLAA-WOJBJXKFSA-N 2 1 407.603 1.835 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000445012207 1075228688 /nfs/dbraw/zinc/22/86/88/1075228688.db2.gz OOMKLBVKVUVGAK-CQSZACIVSA-N 2 1 406.560 2.116 20 0 HDADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000675884483 1075288807 /nfs/dbraw/zinc/28/88/07/1075288807.db2.gz ZQGYRRGCVOXRMO-FQEVSTJZSA-N 2 1 419.570 1.943 20 0 HDADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000675886292 1075289526 /nfs/dbraw/zinc/28/95/26/1075289526.db2.gz QPUYUEPWHNZQIJ-IBGZPJMESA-N 2 1 420.985 1.941 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676040880 1075338429 /nfs/dbraw/zinc/33/84/29/1075338429.db2.gz ZRKAJXFAWGLXGB-VQTJNVASSA-N 2 1 407.603 1.978 20 0 HDADMP Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+]2CCCC2)o1 ZINC000676093474 1075354308 /nfs/dbraw/zinc/35/43/08/1075354308.db2.gz JUNGTHXQDHJXKJ-QGZVFWFLSA-N 2 1 402.499 1.238 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731624250 1075418169 /nfs/dbraw/zinc/41/81/69/1075418169.db2.gz FHFDYDXWHNTHNS-IBGZPJMESA-N 2 1 415.513 1.860 20 0 HDADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000731679594 1075461801 /nfs/dbraw/zinc/46/18/01/1075461801.db2.gz HQVLIOPCPBEBID-UHFFFAOYSA-N 2 1 402.543 1.113 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676278301 1075478629 /nfs/dbraw/zinc/47/86/29/1075478629.db2.gz HNHKKVIRLLAEDK-YLJYHZDGSA-N 2 1 418.538 1.325 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278301 1075478630 /nfs/dbraw/zinc/47/86/30/1075478630.db2.gz HNHKKVIRLLAEDK-YLJYHZDGSA-N 2 1 418.538 1.325 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)CC2)CC1 ZINC000676384039 1075540016 /nfs/dbraw/zinc/54/00/16/1075540016.db2.gz NSSBPUFYTYNGNM-UHFFFAOYSA-N 2 1 408.635 1.212 20 0 HDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731842897 1075548159 /nfs/dbraw/zinc/54/81/59/1075548159.db2.gz JULWOZBGRFPUOV-WFVLPUPGSA-N 2 1 410.584 1.068 20 0 HDADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000731842897 1075548165 /nfs/dbraw/zinc/54/81/65/1075548165.db2.gz JULWOZBGRFPUOV-WFVLPUPGSA-N 2 1 410.584 1.068 20 0 HDADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437378 1075559028 /nfs/dbraw/zinc/55/90/28/1075559028.db2.gz ZKIIKOOPNGFWQT-NJDAHSKKSA-N 2 1 423.646 1.791 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676500801 1075570313 /nfs/dbraw/zinc/57/03/13/1075570313.db2.gz DZEZTNAGSXIGCF-QKNQBKEWSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676500801 1075570315 /nfs/dbraw/zinc/57/03/15/1075570315.db2.gz DZEZTNAGSXIGCF-QKNQBKEWSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676500801 1075570317 /nfs/dbraw/zinc/57/03/17/1075570317.db2.gz DZEZTNAGSXIGCF-QKNQBKEWSA-N 2 1 405.587 1.051 20 0 HDADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000443519204 1075667919 /nfs/dbraw/zinc/66/79/19/1075667919.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 2 1 417.558 1.245 20 0 HDADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000443519204 1075667921 /nfs/dbraw/zinc/66/79/21/1075667921.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 2 1 417.558 1.245 20 0 HDADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000443519204 1075667923 /nfs/dbraw/zinc/66/79/23/1075667923.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 2 1 417.558 1.245 20 0 HDADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000443519204 1075667925 /nfs/dbraw/zinc/66/79/25/1075667925.db2.gz FCLHSUDVWZIQGV-FUHWJXTLSA-N 2 1 417.558 1.245 20 0 HDADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000732246128 1075679797 /nfs/dbraw/zinc/67/97/97/1075679797.db2.gz NKWPDRZEVUYMBQ-TZIWHRDSSA-N 2 1 402.539 1.824 20 0 HDADMP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000732229681 1075684290 /nfs/dbraw/zinc/68/42/90/1075684290.db2.gz YEVVOGUJUZJBLQ-HOTGVXAUSA-N 2 1 418.991 1.531 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000509442904 1075734344 /nfs/dbraw/zinc/73/43/44/1075734344.db2.gz VHPVKIQHQCBIJG-WOJBJXKFSA-N 2 1 415.582 1.114 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000509442904 1075734351 /nfs/dbraw/zinc/73/43/51/1075734351.db2.gz VHPVKIQHQCBIJG-WOJBJXKFSA-N 2 1 415.582 1.114 20 0 HDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]c(N4CCOCC4)n3)c2)C1 ZINC000544677069 1075842311 /nfs/dbraw/zinc/84/23/11/1075842311.db2.gz VEGOOSUMKYFGCZ-IBGZPJMESA-N 2 1 410.522 1.623 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]c(N4CCOCC4)n3)c2)C1 ZINC000544677069 1075842317 /nfs/dbraw/zinc/84/23/17/1075842317.db2.gz VEGOOSUMKYFGCZ-IBGZPJMESA-N 2 1 410.522 1.623 20 0 HDADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000727224906 1076084139 /nfs/dbraw/zinc/08/41/39/1076084139.db2.gz TXGNFALUIHGTAA-SFHVURJKSA-N 2 1 409.575 1.809 20 0 HDADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)C1 ZINC000733668477 1076147739 /nfs/dbraw/zinc/14/77/39/1076147739.db2.gz DRDLAKVROFGQIZ-HNNXBMFYSA-N 2 1 407.946 1.440 20 0 HDADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000733669503 1076149567 /nfs/dbraw/zinc/14/95/67/1076149567.db2.gz KCTKDIHEMZRZNE-GOSISDBHSA-N 2 1 401.555 1.758 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)cc2)CC1 ZINC000727950402 1076295095 /nfs/dbraw/zinc/29/50/95/1076295095.db2.gz BXONOTQIZDABMK-UHFFFAOYSA-N 2 1 401.555 1.710 20 0 HDADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000728141071 1076341918 /nfs/dbraw/zinc/34/19/18/1076341918.db2.gz MQMRLKYWZOOVAH-UHFFFAOYSA-N 2 1 406.490 1.935 20 0 HDADMP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000730259670 1076501747 /nfs/dbraw/zinc/50/17/47/1076501747.db2.gz UJKDFFVEJJPRTM-HNNXBMFYSA-N 2 1 423.558 1.585 20 0 HDADMP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730949666 1076700142 /nfs/dbraw/zinc/70/01/42/1076700142.db2.gz DHMABBVXSBEPRB-LJQANCHMSA-N 2 1 419.639 1.936 20 0 HDADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)CC1 ZINC000731162188 1076740169 /nfs/dbraw/zinc/74/01/69/1076740169.db2.gz IFTKZTZTUMHGQB-UHFFFAOYSA-N 2 1 411.660 1.715 20 0 HDADMP CCOC(=O)[C@H]1CCc2nnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164680975 719651700 /nfs/dbraw/zinc/65/17/00/719651700.db2.gz KKLVTMLUISFGKV-HNNXBMFYSA-N 2 1 412.538 1.816 20 0 HDADMP CCOC(=O)[C@H]1CCc2nnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2C1 ZINC001164680975 719651702 /nfs/dbraw/zinc/65/17/02/719651702.db2.gz KKLVTMLUISFGKV-HNNXBMFYSA-N 2 1 412.538 1.816 20 0 HDADMP COC(=O)C1CCN(c2cc[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)n2)CC1 ZINC001164735444 720519800 /nfs/dbraw/zinc/51/98/00/720519800.db2.gz XOMKDJDPWVZONP-MRXNPFEDSA-N 2 1 413.526 1.261 20 0 HDADMP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748702 720804494 /nfs/dbraw/zinc/80/44/94/720804494.db2.gz RBICSKRDDCPXTR-AZUAARDMSA-N 2 1 410.522 1.592 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164855622 720890166 /nfs/dbraw/zinc/89/01/66/720890166.db2.gz HMQWPYVRHNARTC-FPOVZHCZSA-N 2 1 404.555 1.634 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164865851 721058353 /nfs/dbraw/zinc/05/83/53/721058353.db2.gz APAGUGFJMNNBPW-CVEARBPZSA-N 2 1 400.914 1.650 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879869 721167022 /nfs/dbraw/zinc/16/70/22/721167022.db2.gz UWKHPQNFOYOQCE-PMACEKPBSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879869 721167025 /nfs/dbraw/zinc/16/70/25/721167025.db2.gz UWKHPQNFOYOQCE-PMACEKPBSA-N 2 1 409.538 1.103 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780103 721358878 /nfs/dbraw/zinc/35/88/78/721358878.db2.gz DHISHJPUKLYMRI-JOCHJYFZSA-N 2 1 412.538 1.846 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780103 721358885 /nfs/dbraw/zinc/35/88/85/721358885.db2.gz DHISHJPUKLYMRI-JOCHJYFZSA-N 2 1 412.538 1.846 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164800350 721569706 /nfs/dbraw/zinc/56/97/06/721569706.db2.gz FCUZZHMQENITQL-QZNHQXDQSA-N 2 1 408.550 1.754 20 0 HDADMP Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C[NH2+]CC2 ZINC001164985913 722100039 /nfs/dbraw/zinc/10/00/39/722100039.db2.gz XQWRGKLQOHOBMZ-APWZRJJASA-N 2 1 414.941 1.898 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978903 722149300 /nfs/dbraw/zinc/14/93/00/722149300.db2.gz KRHGRMNBNJXEOD-NHCUHLMSSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978903 722149305 /nfs/dbraw/zinc/14/93/05/722149305.db2.gz KRHGRMNBNJXEOD-NHCUHLMSSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CCC([NH3+])CC3)n1)CCC2 ZINC001165002864 722255620 /nfs/dbraw/zinc/25/56/20/722255620.db2.gz VESSUSQWKNNXPM-UHFFFAOYSA-N 2 1 413.570 1.694 20 0 HDADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778015 1073734387 /nfs/dbraw/zinc/73/43/87/1073734387.db2.gz SAEAULNVCGXVAR-WOJBJXKFSA-N 2 1 423.989 1.648 20 0 HDADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778012 1073734461 /nfs/dbraw/zinc/73/44/61/1073734461.db2.gz SAEAULNVCGXVAR-PMACEKPBSA-N 2 1 423.989 1.648 20 0 HDADMP Cc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673828612 1073786137 /nfs/dbraw/zinc/78/61/37/1073786137.db2.gz IAQVFLRXQCKQKE-UHFFFAOYSA-N 2 1 424.549 1.500 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 ZINC000673868754 1073845797 /nfs/dbraw/zinc/84/57/97/1073845797.db2.gz GYTPAYWDTLIURK-UHFFFAOYSA-N 2 1 413.526 1.154 20 0 HDADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000674038737 1074109585 /nfs/dbraw/zinc/10/95/85/1074109585.db2.gz BJGUKUBGVZTEPX-LJQANCHMSA-N 2 1 401.555 1.234 20 0 HDADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000674317007 1074265617 /nfs/dbraw/zinc/26/56/17/1074265617.db2.gz OSBPBBQGQQAEJV-UHFFFAOYSA-N 2 1 417.554 1.697 20 0 HDADMP COC1CC[NH+](CCNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000674316696 1074266023 /nfs/dbraw/zinc/26/60/23/1074266023.db2.gz HGZDVHVXYYVLMR-IBGZPJMESA-N 2 1 403.527 1.369 20 0 HDADMP COC1CC[NH+](CCNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000674316696 1074266027 /nfs/dbraw/zinc/26/60/27/1074266027.db2.gz HGZDVHVXYYVLMR-IBGZPJMESA-N 2 1 403.527 1.369 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000674308652 1074266984 /nfs/dbraw/zinc/26/69/84/1074266984.db2.gz PRMDXWSLJUERIK-IBGZPJMESA-N 2 1 414.616 1.065 20 0 HDADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674329943 1074279140 /nfs/dbraw/zinc/27/91/40/1074279140.db2.gz VGROLBGSNMXBOF-OAQYLSRUSA-N 2 1 409.619 1.450 20 0 HDADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674657483 1074504760 /nfs/dbraw/zinc/50/47/60/1074504760.db2.gz OSTYFQWVEWCKDT-OAHLLOKOSA-N 2 1 402.520 1.979 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079620 1074781895 /nfs/dbraw/zinc/78/18/95/1074781895.db2.gz BBWIUDFCGPWCTR-NDXORKPFSA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079620 1074781902 /nfs/dbraw/zinc/78/19/02/1074781902.db2.gz BBWIUDFCGPWCTR-NDXORKPFSA-N 2 1 416.566 1.936 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000477094779 1074791894 /nfs/dbraw/zinc/79/18/94/1074791894.db2.gz FLBSSPLJPVQRNP-IBGZPJMESA-N 3 1 423.646 1.488 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000477112160 1074817804 /nfs/dbraw/zinc/81/78/04/1074817804.db2.gz ZSVRIOIPFPYFKN-MSOLQXFVSA-N 2 1 404.555 1.370 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000477112160 1074817806 /nfs/dbraw/zinc/81/78/06/1074817806.db2.gz ZSVRIOIPFPYFKN-MSOLQXFVSA-N 2 1 404.555 1.370 20 0 HDADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675566668 1075217562 /nfs/dbraw/zinc/21/75/62/1075217562.db2.gz PCEBYNLXTRTEBH-GOSISDBHSA-N 2 1 422.595 1.439 20 0 HDADMP O=C(N[C@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000675787018 1075271865 /nfs/dbraw/zinc/27/18/65/1075271865.db2.gz QLNWRPFZSYULJE-ROUUACIJSA-N 2 1 400.523 1.708 20 0 HDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097040 1075360778 /nfs/dbraw/zinc/36/07/78/1075360778.db2.gz LYRKBFHWKIWXIG-GOSISDBHSA-N 2 1 412.538 1.506 20 0 HDADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098071 1075362652 /nfs/dbraw/zinc/36/26/52/1075362652.db2.gz YFSIVBRVOAEZFM-IBGZPJMESA-N 2 1 412.538 1.364 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128851 1075388731 /nfs/dbraw/zinc/38/87/31/1075388731.db2.gz FPIOQARTKGUCPP-ICSRJNTNSA-N 2 1 400.527 1.449 20 0 HDADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CC2)C1 ZINC000676167896 1075416999 /nfs/dbraw/zinc/41/69/99/1075416999.db2.gz LPTRVDCULXGPFL-PWRODBHTSA-N 2 1 407.603 1.176 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731624251 1075418248 /nfs/dbraw/zinc/41/82/48/1075418248.db2.gz FHFDYDXWHNTHNS-LJQANCHMSA-N 2 1 415.513 1.860 20 0 HDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676190907 1075420558 /nfs/dbraw/zinc/42/05/58/1075420558.db2.gz CDLOFGRMFGSLIX-MQSCRBSSSA-N 2 1 401.551 1.508 20 0 HDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676190905 1075420595 /nfs/dbraw/zinc/42/05/95/1075420595.db2.gz CDLOFGRMFGSLIX-FUPPJEDESA-N 2 1 401.551 1.508 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278414 1075481423 /nfs/dbraw/zinc/48/14/23/1075481423.db2.gz HOERIPKGXNZCGO-SUMWQHHRSA-N 2 1 412.918 1.054 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278414 1075481426 /nfs/dbraw/zinc/48/14/26/1075481426.db2.gz HOERIPKGXNZCGO-SUMWQHHRSA-N 2 1 412.918 1.054 20 0 HDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nc(N4CCOCC4)cc[nH+]3)c2)C1 ZINC000676310913 1075509014 /nfs/dbraw/zinc/50/90/14/1075509014.db2.gz QDFSHIJSOJOTCR-LJQANCHMSA-N 2 1 410.522 1.623 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nc(N4CCOCC4)cc[nH+]3)c2)C1 ZINC000676310913 1075509017 /nfs/dbraw/zinc/50/90/17/1075509017.db2.gz QDFSHIJSOJOTCR-LJQANCHMSA-N 2 1 410.522 1.623 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676500808 1075570346 /nfs/dbraw/zinc/57/03/46/1075570346.db2.gz DZEZTNAGSXIGCF-SBHAEUEKSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676500808 1075570348 /nfs/dbraw/zinc/57/03/48/1075570348.db2.gz DZEZTNAGSXIGCF-SBHAEUEKSA-N 2 1 405.587 1.051 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676500808 1075570350 /nfs/dbraw/zinc/57/03/50/1075570350.db2.gz DZEZTNAGSXIGCF-SBHAEUEKSA-N 2 1 405.587 1.051 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000676547684 1075595398 /nfs/dbraw/zinc/59/53/98/1075595398.db2.gz BPQCNALCXDJYEE-IBGZPJMESA-N 2 1 412.538 1.412 20 0 HDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)cc1 ZINC000443486303 1075613807 /nfs/dbraw/zinc/61/38/07/1075613807.db2.gz FTVMQNBFGGQVEC-GOSISDBHSA-N 2 1 413.526 1.242 20 0 HDADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)cc1 ZINC000443486303 1075613811 /nfs/dbraw/zinc/61/38/11/1075613811.db2.gz FTVMQNBFGGQVEC-GOSISDBHSA-N 2 1 413.526 1.242 20 0 HDADMP COc1cc2[nH+]c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)nc(N)c2cc1OC ZINC000541005219 1075702972 /nfs/dbraw/zinc/70/29/72/1075702972.db2.gz KWYDOTVKFIZEQJ-MRXNPFEDSA-N 2 1 409.490 1.830 20 0 HDADMP COc1cc2[nH+]c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)nc(N)c2cc1OC ZINC000541005219 1075702977 /nfs/dbraw/zinc/70/29/77/1075702977.db2.gz KWYDOTVKFIZEQJ-MRXNPFEDSA-N 2 1 409.490 1.830 20 0 HDADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509440987 1075723318 /nfs/dbraw/zinc/72/33/18/1075723318.db2.gz IGHJSTJIOBXSJK-RTBURBONSA-N 2 1 403.571 1.160 20 0 HDADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000509440981 1075724566 /nfs/dbraw/zinc/72/45/66/1075724566.db2.gz IFVPQQQTGWWVPX-FQEVSTJZSA-N 2 1 417.598 1.360 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260802 1075727251 /nfs/dbraw/zinc/72/72/51/1075727251.db2.gz OFRYCIDIDGYIHN-OAHLLOKOSA-N 2 1 407.540 1.832 20 0 HDADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260802 1075727255 /nfs/dbraw/zinc/72/72/55/1075727255.db2.gz OFRYCIDIDGYIHN-OAHLLOKOSA-N 2 1 407.540 1.832 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)n2)CC1 ZINC000562337356 1075784317 /nfs/dbraw/zinc/78/43/17/1075784317.db2.gz JLNCGEMOJQQYOV-UHFFFAOYSA-N 2 1 411.554 2.094 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126392 1075978782 /nfs/dbraw/zinc/97/87/82/1075978782.db2.gz YAYKDSSOYNZHAQ-WIYYLYMNSA-N 2 1 413.566 1.710 20 0 HDADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000511822860 1075999067 /nfs/dbraw/zinc/99/90/67/1075999067.db2.gz IVGLAGIZBNJMKJ-XPNTWCBSSA-N 2 1 404.599 1.206 20 0 HDADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(OC)c1OCC(N)=O ZINC000733329154 1076044879 /nfs/dbraw/zinc/04/48/79/1076044879.db2.gz OBWDYMPIHBKEBH-QGZVFWFLSA-N 2 1 407.511 1.301 20 0 HDADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)CC1 ZINC000727951117 1076295794 /nfs/dbraw/zinc/29/57/94/1076295794.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 2 1 401.555 1.710 20 0 HDADMP CC(C)[NH+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000727951117 1076295796 /nfs/dbraw/zinc/29/57/96/1076295796.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 2 1 401.555 1.710 20 0 HDADMP CC(C)[NH+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000727951117 1076295798 /nfs/dbraw/zinc/29/57/98/1076295798.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 2 1 401.555 1.710 20 0 HDADMP CCN(C)c1cc[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715080 720163473 /nfs/dbraw/zinc/16/34/73/720163473.db2.gz SNVUTKHYXKUOLU-QGZVFWFLSA-N 2 1 400.531 1.277 20 0 HDADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001164827241 720327076 /nfs/dbraw/zinc/32/70/76/720327076.db2.gz HIJQPJVIXVBRFZ-MOPGFXCFSA-N 2 1 414.554 1.225 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164853356 720886633 /nfs/dbraw/zinc/88/66/33/720886633.db2.gz CAXGAOAQBBGTDE-NQIIRXRSSA-N 3 1 404.555 1.728 20 0 HDADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1 ZINC001164853356 720886635 /nfs/dbraw/zinc/88/66/35/720886635.db2.gz CAXGAOAQBBGTDE-NQIIRXRSSA-N 2 1 404.555 1.728 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1 ZINC001164853356 720886636 /nfs/dbraw/zinc/88/66/36/720886636.db2.gz CAXGAOAQBBGTDE-NQIIRXRSSA-N 2 1 404.555 1.728 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164869555 721045320 /nfs/dbraw/zinc/04/53/20/721045320.db2.gz UHSLBNFXGUUNRA-CVEARBPZSA-N 2 1 400.914 1.650 20 0 HDADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895416 721425462 /nfs/dbraw/zinc/42/54/62/721425462.db2.gz OUTJPEAWYMMTPY-NFBKMPQASA-N 2 1 414.598 1.709 20 0 HDADMP Cc1noc(C)c1CN1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]21 ZINC001164946769 721953078 /nfs/dbraw/zinc/95/30/78/721953078.db2.gz OVPRZXKCLKFVPK-PMACEKPBSA-N 2 1 412.538 1.704 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978374 722101978 /nfs/dbraw/zinc/10/19/78/722101978.db2.gz GTATXHBIQMTXIR-SFTDATJTSA-N 2 1 423.565 1.351 20 0 HDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429049282 1073469134 /nfs/dbraw/zinc/46/91/34/1073469134.db2.gz UMUKNXZUYGINAD-YADHBBJMSA-N 2 1 416.566 1.641 20 0 HDADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)c2)CC1 ZINC000673650314 1073544037 /nfs/dbraw/zinc/54/40/37/1073544037.db2.gz MOXNAVAVXGCIGX-QFIPXVFZSA-N 2 1 400.567 1.761 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000429095332 1073561858 /nfs/dbraw/zinc/56/18/58/1073561858.db2.gz GKFYLOGPXABPMV-HXUWFJFHSA-N 2 1 401.555 1.794 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817289 1073772428 /nfs/dbraw/zinc/77/24/28/1073772428.db2.gz RDIHRACWGBWNTO-WOJBJXKFSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000673817289 1073772433 /nfs/dbraw/zinc/77/24/33/1073772433.db2.gz RDIHRACWGBWNTO-WOJBJXKFSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817289 1073772437 /nfs/dbraw/zinc/77/24/37/1073772437.db2.gz RDIHRACWGBWNTO-WOJBJXKFSA-N 2 1 402.514 1.731 20 0 HDADMP NC(=O)[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000673817289 1073772443 /nfs/dbraw/zinc/77/24/43/1073772443.db2.gz RDIHRACWGBWNTO-WOJBJXKFSA-N 2 1 402.514 1.731 20 0 HDADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522631 1073992672 /nfs/dbraw/zinc/99/26/72/1073992672.db2.gz OYGQAZYNACUGGG-MOPGFXCFSA-N 2 1 407.603 1.740 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1nnnn1C1CC1 ZINC000674332621 1074286646 /nfs/dbraw/zinc/28/66/46/1074286646.db2.gz PQQMSOVFOYTQCJ-UHFFFAOYSA-N 2 1 404.563 1.346 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214275 1075229313 /nfs/dbraw/zinc/22/93/13/1075229313.db2.gz XEXBCWQZTGQOJS-IBGZPJMESA-N 2 1 412.538 1.685 20 0 HDADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000543644338 1075263670 /nfs/dbraw/zinc/26/36/70/1075263670.db2.gz GCNCUIPPLIJNFR-SFHVURJKSA-N 2 1 403.575 1.360 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676040878 1075337908 /nfs/dbraw/zinc/33/79/08/1075337908.db2.gz ZRKAJXFAWGLXGB-PMACEKPBSA-N 2 1 407.603 1.978 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000676093074 1075354863 /nfs/dbraw/zinc/35/48/63/1075354863.db2.gz RZSQCOZDTBXADK-LJQANCHMSA-N 2 1 412.538 1.412 20 0 HDADMP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676097152 1075362094 /nfs/dbraw/zinc/36/20/94/1075362094.db2.gz IYFWMJCGRDRPFK-GOSISDBHSA-N 2 1 412.538 1.506 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278299 1075478692 /nfs/dbraw/zinc/47/86/92/1075478692.db2.gz HNHKKVIRLLAEDK-PXNSSMCTSA-N 2 1 418.538 1.325 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278299 1075478693 /nfs/dbraw/zinc/47/86/93/1075478693.db2.gz HNHKKVIRLLAEDK-PXNSSMCTSA-N 2 1 418.538 1.325 20 0 HDADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737438 1075480640 /nfs/dbraw/zinc/48/06/40/1075480640.db2.gz ONMFEAGSFFNUJX-FQEVSTJZSA-N 2 1 401.555 1.457 20 0 HDADMP CN(C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470737438 1075480648 /nfs/dbraw/zinc/48/06/48/1075480648.db2.gz ONMFEAGSFFNUJX-FQEVSTJZSA-N 2 1 401.555 1.457 20 0 HDADMP C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676294970 1075498461 /nfs/dbraw/zinc/49/84/61/1075498461.db2.gz GWKTWACEAJFHJS-BJLQDIEVSA-N 2 1 404.555 1.905 20 0 HDADMP C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676294970 1075498463 /nfs/dbraw/zinc/49/84/63/1075498463.db2.gz GWKTWACEAJFHJS-BJLQDIEVSA-N 2 1 404.555 1.905 20 0 HDADMP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000543670775 1075515783 /nfs/dbraw/zinc/51/57/83/1075515783.db2.gz RNWAHRYGPRSVRA-SFTDATJTSA-N 2 1 421.630 1.689 20 0 HDADMP C[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451564 1075558202 /nfs/dbraw/zinc/55/82/02/1075558202.db2.gz FTBJNDBWOIORIM-RTBURBONSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000676451564 1075558205 /nfs/dbraw/zinc/55/82/05/1075558205.db2.gz FTBJNDBWOIORIM-RTBURBONSA-N 2 1 410.522 1.479 20 0 HDADMP C[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000676451564 1075558209 /nfs/dbraw/zinc/55/82/09/1075558209.db2.gz FTBJNDBWOIORIM-RTBURBONSA-N 2 1 410.522 1.479 20 0 HDADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)C1 ZINC000550799519 1075603616 /nfs/dbraw/zinc/60/36/16/1075603616.db2.gz MVOYMJBBSGPFHN-QGZVFWFLSA-N 2 1 412.538 2.254 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257544 1075688745 /nfs/dbraw/zinc/68/87/45/1075688745.db2.gz SATGTFFFDUYXNG-RTBURBONSA-N 2 1 405.543 1.666 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257544 1075688747 /nfs/dbraw/zinc/68/87/47/1075688747.db2.gz SATGTFFFDUYXNG-RTBURBONSA-N 2 1 405.543 1.666 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000476154417 1075738075 /nfs/dbraw/zinc/73/80/75/1075738075.db2.gz NVMVZYYADWRZOJ-LJQANCHMSA-N 2 1 400.527 1.723 20 0 HDADMP C[N@@H+](CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCCC1 ZINC000427132324 1075759286 /nfs/dbraw/zinc/75/92/86/1075759286.db2.gz BQRLCEOBWUAGFT-UHFFFAOYSA-N 2 1 404.559 1.859 20 0 HDADMP O=C(C[N@@H+]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1)N1CCCC1 ZINC000509278269 1075811355 /nfs/dbraw/zinc/81/13/55/1075811355.db2.gz YCQRLVQOEYCHCW-UHFFFAOYSA-N 2 1 413.610 1.829 20 0 HDADMP O=C(C[N@H+]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1)N1CCCC1 ZINC000509278269 1075811361 /nfs/dbraw/zinc/81/13/61/1075811361.db2.gz YCQRLVQOEYCHCW-UHFFFAOYSA-N 2 1 413.610 1.829 20 0 HDADMP COC(=O)c1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000611105149 1075836510 /nfs/dbraw/zinc/83/65/10/1075836510.db2.gz TUKMVSQBCYBSAR-UHFFFAOYSA-N 2 1 422.507 1.260 20 0 HDADMP CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000611211212 1075874620 /nfs/dbraw/zinc/87/46/20/1075874620.db2.gz UDRWKOYTMMDVGQ-UGKGYDQZSA-N 2 1 419.566 1.965 20 0 HDADMP CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217176 1075878320 /nfs/dbraw/zinc/87/83/20/1075878320.db2.gz VFJKOZZFLXJUGO-RBUKOAKNSA-N 2 1 414.579 1.681 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126391 1075978832 /nfs/dbraw/zinc/97/88/32/1075978832.db2.gz YAYKDSSOYNZHAQ-RXVVDRJESA-N 2 1 413.566 1.710 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128543 1075979279 /nfs/dbraw/zinc/97/92/79/1075979279.db2.gz VMACKEXAJPQBGW-RBUKOAKNSA-N 2 1 413.566 1.710 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@H]2CC[N@H+](CC)C2)C1 ZINC000494800177 1076003065 /nfs/dbraw/zinc/00/30/65/1076003065.db2.gz NBNZJFUHNOIQEO-RTBURBONSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)Cc2c(C(=O)NC[C@H]3CC[N@H+](CC)C3)c(C)cn2C)C1 ZINC000494800177 1076003068 /nfs/dbraw/zinc/00/30/68/1076003068.db2.gz NBNZJFUHNOIQEO-RTBURBONSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)Cc2c(C(=O)NC[C@H]3CC[N@@H+](CC)C3)c(C)cn2C)C1 ZINC000494800177 1076003073 /nfs/dbraw/zinc/00/30/73/1076003073.db2.gz NBNZJFUHNOIQEO-RTBURBONSA-N 2 1 417.598 1.406 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000495127389 1076004794 /nfs/dbraw/zinc/00/47/94/1076004794.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495127389 1076004797 /nfs/dbraw/zinc/00/47/97/1076004797.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495127389 1076004802 /nfs/dbraw/zinc/00/48/02/1076004802.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 2 1 413.566 1.195 20 0 HDADMP COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000727038412 1076031767 /nfs/dbraw/zinc/03/17/67/1076031767.db2.gz BLFAHDUAYIVFDE-UHFFFAOYSA-N 2 1 400.483 1.131 20 0 HDADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2Cl)CC1 ZINC000727232273 1076086952 /nfs/dbraw/zinc/08/69/52/1076086952.db2.gz ZWVGPZYVJNZOGX-KRWDZBQOSA-N 2 1 419.957 1.727 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950530 1076700525 /nfs/dbraw/zinc/70/05/25/1076700525.db2.gz PQRYMRGBKSANDU-WOJBJXKFSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950530 1076700531 /nfs/dbraw/zinc/70/05/31/1076700531.db2.gz PQRYMRGBKSANDU-WOJBJXKFSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950530 1076700539 /nfs/dbraw/zinc/70/05/39/1076700539.db2.gz PQRYMRGBKSANDU-WOJBJXKFSA-N 2 1 417.623 1.832 20 0 HDADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839441 720518943 /nfs/dbraw/zinc/51/89/43/720518943.db2.gz ULGRAAGIQVJHDN-UFYCRDLUSA-N 2 1 410.570 1.461 20 0 HDADMP c1ncn(C[C@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164749295 720839957 /nfs/dbraw/zinc/83/99/57/720839957.db2.gz VPQYXQALGZDJBO-TUNNFDKTSA-N 2 1 422.581 1.915 20 0 HDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164743611 720841261 /nfs/dbraw/zinc/84/12/61/720841261.db2.gz JPZIRZIMSNKOEH-BVSLBCMMSA-N 2 1 422.581 1.462 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865723 721113135 /nfs/dbraw/zinc/11/31/35/721113135.db2.gz OVMRUPYADWKQLL-UXHICEINSA-N 2 1 409.538 1.279 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164870253 721125246 /nfs/dbraw/zinc/12/52/46/721125246.db2.gz CBAGYZKATDCCDO-NHCUHLMSSA-N 2 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164870253 721125255 /nfs/dbraw/zinc/12/52/55/721125255.db2.gz CBAGYZKATDCCDO-NHCUHLMSSA-N 3 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164870253 721125269 /nfs/dbraw/zinc/12/52/69/721125269.db2.gz CBAGYZKATDCCDO-NHCUHLMSSA-N 3 1 408.550 1.884 20 0 HDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc(C[NH+](C)C4CC4)cn3)CC2)C1 ZINC001164877171 721286506 /nfs/dbraw/zinc/28/65/06/721286506.db2.gz LZHVRQWTAYFASY-UHFFFAOYSA-N 2 1 415.582 1.683 20 0 HDADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)C1 ZINC001164877171 721286512 /nfs/dbraw/zinc/28/65/12/721286512.db2.gz LZHVRQWTAYFASY-UHFFFAOYSA-N 2 1 415.582 1.683 20 0 HDADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)C1 ZINC001164877171 721286516 /nfs/dbraw/zinc/28/65/16/721286516.db2.gz LZHVRQWTAYFASY-UHFFFAOYSA-N 2 1 415.582 1.683 20 0 HDADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894414 721426913 /nfs/dbraw/zinc/42/69/13/721426913.db2.gz MKFQOSTUDJOQLS-GMAHTHKFSA-N 2 1 414.598 1.257 20 0 HDADMP Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890982 721453437 /nfs/dbraw/zinc/45/34/37/721453437.db2.gz TXJTYCRSCOIXEQ-KNQAVFIVSA-N 2 1 400.571 1.237 20 0 HDADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164788605 721459416 /nfs/dbraw/zinc/45/94/16/721459416.db2.gz UROALDVSLSABSK-LJQANCHMSA-N 2 1 401.555 1.814 20 0 HDADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164899658 721513468 /nfs/dbraw/zinc/51/34/68/721513468.db2.gz LMCPBFMXANOGRX-ICSRJNTNSA-N 2 1 412.513 1.709 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904686 721543782 /nfs/dbraw/zinc/54/37/82/721543782.db2.gz FZFJUAFDAJMPOQ-UYAOXDASSA-N 2 1 412.513 1.885 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164809389 721558689 /nfs/dbraw/zinc/55/86/89/721558689.db2.gz WVMTVHDANVJEQW-JQVVWYNYSA-N 2 1 409.538 1.149 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164809389 721558691 /nfs/dbraw/zinc/55/86/91/721558691.db2.gz WVMTVHDANVJEQW-JQVVWYNYSA-N 2 1 409.538 1.149 20 0 HDADMP Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]21 ZINC001164946781 721953186 /nfs/dbraw/zinc/95/31/86/721953186.db2.gz OVPRZXKCLKFVPK-WOJBJXKFSA-N 2 1 412.538 1.704 20 0 HDADMP C[N@H+](Cc1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1)C1CC1 ZINC001165001869 722237939 /nfs/dbraw/zinc/23/79/39/722237939.db2.gz NRURXWIVXOSRFO-UHFFFAOYSA-N 2 1 407.566 1.823 20 0 HDADMP C[N@@H+](Cc1ccc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1)C1CC1 ZINC001165001869 722237942 /nfs/dbraw/zinc/23/79/42/722237942.db2.gz NRURXWIVXOSRFO-UHFFFAOYSA-N 2 1 407.566 1.823 20 0 HDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051837 1073479621 /nfs/dbraw/zinc/47/96/21/1073479621.db2.gz IXCBYSHLGKNIDA-OAQYLSRUSA-N 2 1 404.555 1.641 20 0 HDADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429051837 1073479624 /nfs/dbraw/zinc/47/96/24/1073479624.db2.gz IXCBYSHLGKNIDA-OAQYLSRUSA-N 2 1 404.555 1.641 20 0 HDADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673658225 1073605269 /nfs/dbraw/zinc/60/52/69/1073605269.db2.gz GXYXRTXBMVGPEY-HDICACEKSA-N 2 1 401.555 1.708 20 0 HDADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000673658225 1073605274 /nfs/dbraw/zinc/60/52/74/1073605274.db2.gz GXYXRTXBMVGPEY-HDICACEKSA-N 2 1 401.555 1.708 20 0 HDADMP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000673769737 1073713126 /nfs/dbraw/zinc/71/31/26/1073713126.db2.gz UYRFVYDQRRFZSI-LJQANCHMSA-N 2 1 401.555 1.457 20 0 HDADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000673769737 1073713131 /nfs/dbraw/zinc/71/31/31/1073713131.db2.gz UYRFVYDQRRFZSI-LJQANCHMSA-N 2 1 401.555 1.457 20 0 HDADMP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777942 1073734272 /nfs/dbraw/zinc/73/42/72/1073734272.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777942 1073734277 /nfs/dbraw/zinc/73/42/77/1073734277.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777942 1073734284 /nfs/dbraw/zinc/73/42/84/1073734284.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 2 1 417.598 1.603 20 0 HDADMP Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673958857 1073938518 /nfs/dbraw/zinc/93/85/18/1073938518.db2.gz YGEGPBKMKVFRDR-NRFANRHFSA-N 2 1 414.579 1.731 20 0 HDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000543520997 1073988323 /nfs/dbraw/zinc/98/83/23/1073988323.db2.gz ISSGNDIIEKPWTN-LJQANCHMSA-N 2 1 416.566 1.292 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995584 /nfs/dbraw/zinc/99/55/84/1073995584.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995590 /nfs/dbraw/zinc/99/55/90/1073995590.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995595 /nfs/dbraw/zinc/99/55/95/1073995595.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 2 1 422.520 1.847 20 0 HDADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC000543579236 1074162984 /nfs/dbraw/zinc/16/29/84/1074162984.db2.gz CMDVEFOFCYMSBJ-SFHVURJKSA-N 2 1 424.611 1.687 20 0 HDADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000675086236 1074701772 /nfs/dbraw/zinc/70/17/72/1074701772.db2.gz UTFBTGAGZYMLAG-GHTZIAJQSA-N 2 1 420.598 1.467 20 0 HDADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000675086878 1074701838 /nfs/dbraw/zinc/70/18/38/1074701838.db2.gz WXEVPXPDSXKLFS-UXHICEINSA-N 2 1 408.587 1.466 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000477063248 1074774481 /nfs/dbraw/zinc/77/44/81/1074774481.db2.gz ZUSFHLPEPXEUCU-OAHLLOKOSA-N 2 1 410.509 1.892 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000477066196 1074775684 /nfs/dbraw/zinc/77/56/84/1074775684.db2.gz LUCTZNUTYBDINI-LJQANCHMSA-N 2 1 403.571 1.114 20 0 HDADMP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527674 1075152489 /nfs/dbraw/zinc/15/24/89/1075152489.db2.gz WBRROWLNDZZMAA-ICSRJNTNSA-N 2 1 402.539 1.549 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511683 1075191175 /nfs/dbraw/zinc/19/11/75/1075191175.db2.gz RIVYULWIYGOPLQ-IPMKNSEASA-N 2 1 414.550 1.675 20 0 HDADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165362 1075200786 /nfs/dbraw/zinc/20/07/86/1075200786.db2.gz FPGFRTOQBQYFLU-OFQRWUPVSA-N 2 1 403.570 1.546 20 0 HDADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165362 1075200788 /nfs/dbraw/zinc/20/07/88/1075200788.db2.gz FPGFRTOQBQYFLU-OFQRWUPVSA-N 2 1 403.570 1.546 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000439218066 1075229687 /nfs/dbraw/zinc/22/96/87/1075229687.db2.gz UCWKDYXWKJBYLV-AWEZNQCLSA-N 2 1 410.588 1.649 20 0 HDADMP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000429372760 1075259681 /nfs/dbraw/zinc/25/96/81/1075259681.db2.gz OHPAPBJHEOHYGT-FQEVSTJZSA-N 2 1 406.615 1.944 20 0 HDADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000543644277 1075264841 /nfs/dbraw/zinc/26/48/41/1075264841.db2.gz IFNXMBRWLXKHMQ-BGYRXZFFSA-N 2 1 409.619 1.545 20 0 HDADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)c2)C1 ZINC000543647399 1075280379 /nfs/dbraw/zinc/28/03/79/1075280379.db2.gz WARFYLWIGCJQBD-IBGZPJMESA-N 2 1 409.534 1.776 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)c2)C1 ZINC000543647399 1075280380 /nfs/dbraw/zinc/28/03/80/1075280380.db2.gz WARFYLWIGCJQBD-IBGZPJMESA-N 2 1 409.534 1.776 20 0 HDADMP Cc1ccc(NCCCNC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)[nH+]c1 ZINC000548116945 1075302725 /nfs/dbraw/zinc/30/27/25/1075302725.db2.gz NZTWZAFETOHBSH-PMACEKPBSA-N 2 1 402.587 2.392 20 0 HDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047877 1075340157 /nfs/dbraw/zinc/34/01/57/1075340157.db2.gz VPLDKZHSBQFUSD-SESVDKBCSA-N 2 1 407.603 1.222 20 0 HDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047877 1075340163 /nfs/dbraw/zinc/34/01/63/1075340163.db2.gz VPLDKZHSBQFUSD-SESVDKBCSA-N 2 1 407.603 1.222 20 0 HDADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094556 1075356162 /nfs/dbraw/zinc/35/61/62/1075356162.db2.gz JRFIPQFFKBSDIQ-LJQANCHMSA-N 2 1 418.501 1.887 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000676095947 1075357495 /nfs/dbraw/zinc/35/74/95/1075357495.db2.gz XXAACKJGHXSTMM-LJQANCHMSA-N 2 1 404.559 1.544 20 0 HDADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000676096448 1075359124 /nfs/dbraw/zinc/35/91/24/1075359124.db2.gz LMSOHIHRGAMUJO-QFBILLFUSA-N 2 1 414.510 1.459 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cn1 ZINC000676092951 1075377168 /nfs/dbraw/zinc/37/71/68/1075377168.db2.gz NPAJOCZWSCODJC-UHFFFAOYSA-N 2 1 404.559 1.498 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278775 1075479606 /nfs/dbraw/zinc/47/96/06/1075479606.db2.gz JRFNSPPPYQLQJU-XLIONFOSSA-N 2 1 402.539 1.489 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278775 1075479614 /nfs/dbraw/zinc/47/96/14/1075479614.db2.gz JRFNSPPPYQLQJU-XLIONFOSSA-N 2 1 402.539 1.489 20 0 HDADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000543679873 1075608655 /nfs/dbraw/zinc/60/86/55/1075608655.db2.gz JVHJZKLMMGCMBL-IBGZPJMESA-N 2 1 402.587 1.965 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307096 1075694674 /nfs/dbraw/zinc/69/46/74/1075694674.db2.gz CFRLSFQULZZTFA-ICSRJNTNSA-N 2 1 416.566 1.923 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@H+]1Cc1ccccc1 ZINC000466709566 1075714549 /nfs/dbraw/zinc/71/45/49/1075714549.db2.gz DWAXOMJIOMMXAM-SJLPKXTDSA-N 2 1 404.474 1.985 20 0 HDADMP Nc1nccc([C@H]2CCCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)C2)n1 ZINC000558738111 1075726447 /nfs/dbraw/zinc/72/64/47/1075726447.db2.gz MPSMWKMDALBGKP-SFHVURJKSA-N 2 1 416.570 1.390 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000472777780 1075779778 /nfs/dbraw/zinc/77/97/78/1075779778.db2.gz UGPAXHDFTYGFMI-LJQANCHMSA-N 2 1 424.549 1.727 20 0 HDADMP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181032 1075868492 /nfs/dbraw/zinc/86/84/92/1075868492.db2.gz BBCJEIKVVPSNGS-UHFFFAOYSA-N 2 1 408.587 1.279 20 0 HDADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000493266790 1075990708 /nfs/dbraw/zinc/99/07/08/1075990708.db2.gz ZRUYNWCHVMNCCG-RBUKOAKNSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c(C)cn1C ZINC000493266790 1075990714 /nfs/dbraw/zinc/99/07/14/1075990714.db2.gz ZRUYNWCHVMNCCG-RBUKOAKNSA-N 2 1 417.598 1.691 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=O)Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC)c(C)cn1C ZINC000493266790 1075990719 /nfs/dbraw/zinc/99/07/19/1075990719.db2.gz ZRUYNWCHVMNCCG-RBUKOAKNSA-N 2 1 417.598 1.691 20 0 HDADMP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000493468376 1075991584 /nfs/dbraw/zinc/99/15/84/1075991584.db2.gz WFORHTDPXAVEEW-FZDBZEDMSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@H+](C)C[C@H]54)o3)[C@H]2C1 ZINC000493468376 1075991586 /nfs/dbraw/zinc/99/15/86/1075991586.db2.gz WFORHTDPXAVEEW-FZDBZEDMSA-N 2 1 400.523 1.612 20 0 HDADMP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@H]54)o3)[C@H]2C1 ZINC000493468376 1075991590 /nfs/dbraw/zinc/99/15/90/1075991590.db2.gz WFORHTDPXAVEEW-FZDBZEDMSA-N 2 1 400.523 1.612 20 0 HDADMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733160159 1075994264 /nfs/dbraw/zinc/99/42/64/1075994264.db2.gz OJNMSFRQVIWBJQ-JOCHJYFZSA-N 2 1 400.567 1.564 20 0 HDADMP CN(c1ncnc2c1c(Br)nn2C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000733893541 1076254808 /nfs/dbraw/zinc/25/48/08/1076254808.db2.gz BMCHPRGXFHHYIJ-ZDUSSCGKSA-N 2 1 408.348 1.731 20 0 HDADMP CN(c1ncnc2c1c(Br)nn2C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000733893541 1076254815 /nfs/dbraw/zinc/25/48/15/1076254815.db2.gz BMCHPRGXFHHYIJ-ZDUSSCGKSA-N 2 1 408.348 1.731 20 0 HDADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728054121 1076322132 /nfs/dbraw/zinc/32/21/32/1076322132.db2.gz VMNMTWVOBPBPKX-HXUWFJFHSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728054121 1076322137 /nfs/dbraw/zinc/32/21/37/1076322137.db2.gz VMNMTWVOBPBPKX-HXUWFJFHSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728054121 1076322144 /nfs/dbraw/zinc/32/21/44/1076322144.db2.gz VMNMTWVOBPBPKX-HXUWFJFHSA-N 2 1 417.550 1.814 20 0 HDADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)cc1 ZINC000728054121 1076322151 /nfs/dbraw/zinc/32/21/51/1076322151.db2.gz VMNMTWVOBPBPKX-HXUWFJFHSA-N 2 1 417.550 1.814 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164422084 718895797 /nfs/dbraw/zinc/89/57/97/718895797.db2.gz SQVOIDXISRGDTP-MCFFVMPBSA-N 2 1 401.555 1.808 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164689869 719753233 /nfs/dbraw/zinc/75/32/33/719753233.db2.gz MTIFGFJWELBKOX-UHFFFAOYSA-N 3 1 401.555 1.735 20 0 HDADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164689869 719753240 /nfs/dbraw/zinc/75/32/40/719753240.db2.gz MTIFGFJWELBKOX-UHFFFAOYSA-N 2 1 401.555 1.735 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164689869 719753250 /nfs/dbraw/zinc/75/32/50/719753250.db2.gz MTIFGFJWELBKOX-UHFFFAOYSA-N 2 1 401.555 1.735 20 0 HDADMP CCN(C)c1cc[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715078 720163875 /nfs/dbraw/zinc/16/38/75/720163875.db2.gz SNVUTKHYXKUOLU-KRWDZBQOSA-N 2 1 400.531 1.277 20 0 HDADMP Cc1nc(N(C)C)cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)[nH+]1 ZINC001164711933 720170030 /nfs/dbraw/zinc/17/00/30/720170030.db2.gz DUZMLTUJVSMKSQ-KRWDZBQOSA-N 2 1 400.531 1.196 20 0 HDADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164816750 720249525 /nfs/dbraw/zinc/24/95/25/720249525.db2.gz MATQZFODDYDELG-SFHVURJKSA-N 2 1 410.522 1.890 20 0 HDADMP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735402 720426462 /nfs/dbraw/zinc/42/64/62/720426462.db2.gz XAAUZBKOTRNRGA-UXHICEINSA-N 2 1 407.522 1.165 20 0 HDADMP c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735402 720426468 /nfs/dbraw/zinc/42/64/68/720426468.db2.gz XAAUZBKOTRNRGA-UXHICEINSA-N 2 1 407.522 1.165 20 0 HDADMP CCc1cc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853619 720865854 /nfs/dbraw/zinc/86/58/54/720865854.db2.gz HVICTRNQPZAMRN-IEBWSBKVSA-N 2 1 405.543 1.049 20 0 HDADMP CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164853619 720865855 /nfs/dbraw/zinc/86/58/55/720865855.db2.gz HVICTRNQPZAMRN-IEBWSBKVSA-N 2 1 405.543 1.049 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164862882 720885648 /nfs/dbraw/zinc/88/56/48/720885648.db2.gz RRWXTGSOTMFDMF-RTBURBONSA-N 2 1 405.543 1.029 20 0 HDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)C1 ZINC001164872839 721281771 /nfs/dbraw/zinc/28/17/71/721281771.db2.gz GCSLQBNQNFAWGV-UHFFFAOYSA-N 2 1 421.973 1.388 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164806632 721537564 /nfs/dbraw/zinc/53/75/64/721537564.db2.gz PJPCWZWIAOUFLZ-WOIUINJBSA-N 2 1 409.538 1.149 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801680 721567704 /nfs/dbraw/zinc/56/77/04/721567704.db2.gz HCGNRCMALWNOGY-SJBKTWHCSA-N 2 1 423.565 1.667 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164801680 721567707 /nfs/dbraw/zinc/56/77/07/721567707.db2.gz HCGNRCMALWNOGY-SJBKTWHCSA-N 2 1 423.565 1.667 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164808156 721580220 /nfs/dbraw/zinc/58/02/20/721580220.db2.gz PZUZPIVMDBXORA-MIZPHKNDSA-N 2 1 424.549 1.871 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164808156 721580222 /nfs/dbraw/zinc/58/02/22/721580222.db2.gz PZUZPIVMDBXORA-MIZPHKNDSA-N 2 1 424.549 1.871 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164808159 721580310 /nfs/dbraw/zinc/58/03/10/721580310.db2.gz PZUZPIVMDBXORA-MZKRTTBSSA-N 2 1 424.549 1.871 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164808159 721580314 /nfs/dbraw/zinc/58/03/14/721580314.db2.gz PZUZPIVMDBXORA-MZKRTTBSSA-N 2 1 424.549 1.871 20 0 HDADMP C[NH+]1CCN(c2ccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)nn2)CC1 ZINC001165016401 721766798 /nfs/dbraw/zinc/76/67/98/721766798.db2.gz WIMZQZPURGWDRY-UHFFFAOYSA-N 2 1 420.525 1.047 20 0 HDADMP Clc1nc2c(c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]C2 ZINC001164984762 722104851 /nfs/dbraw/zinc/10/48/51/722104851.db2.gz UWYFRSXLZVDEJG-APWZRJJASA-N 2 1 414.941 1.898 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980526 722129031 /nfs/dbraw/zinc/12/90/31/722129031.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 2 1 422.577 1.956 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976027 722133986 /nfs/dbraw/zinc/13/39/86/722133986.db2.gz GKTXNGYALYDKGI-UNMCSNQZSA-N 2 1 408.550 1.614 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001165002614 722236481 /nfs/dbraw/zinc/23/64/81/722236481.db2.gz WFDWDVGHDSGAPY-UHFFFAOYSA-N 2 1 413.957 1.528 20 0 HDADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000673650326 1073549714 /nfs/dbraw/zinc/54/97/14/1073549714.db2.gz NEOLJYDNXCCDHR-JOCHJYFZSA-N 2 1 400.567 1.912 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000429095331 1073561802 /nfs/dbraw/zinc/56/18/02/1073561802.db2.gz GKFYLOGPXABPMV-FQEVSTJZSA-N 2 1 401.555 1.794 20 0 HDADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769156 1073713223 /nfs/dbraw/zinc/71/32/23/1073713223.db2.gz OXLONCHKKAEYDG-SFHVURJKSA-N 2 1 401.555 1.503 20 0 HDADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769156 1073713229 /nfs/dbraw/zinc/71/32/29/1073713229.db2.gz OXLONCHKKAEYDG-SFHVURJKSA-N 2 1 401.555 1.503 20 0 HDADMP C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000673868611 1073846284 /nfs/dbraw/zinc/84/62/84/1073846284.db2.gz BVAMUDZYGNLHMD-PXNSSMCTSA-N 2 1 400.527 1.856 20 0 HDADMP C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000673868611 1073846290 /nfs/dbraw/zinc/84/62/90/1073846290.db2.gz BVAMUDZYGNLHMD-PXNSSMCTSA-N 2 1 400.527 1.856 20 0 HDADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000543520817 1073989672 /nfs/dbraw/zinc/98/96/72/1073989672.db2.gz GWRDSSCDVMFTAP-UHFFFAOYSA-N 2 1 402.539 1.746 20 0 HDADMP C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000670445092 1074000275 /nfs/dbraw/zinc/00/02/75/1074000275.db2.gz USHCQKMCGJEBLB-TZIWHRDSSA-N 2 1 415.582 1.082 20 0 HDADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593227 1074053786 /nfs/dbraw/zinc/05/37/86/1074053786.db2.gz NMRPRPNBBAFXDH-LKUPVBHCSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593227 1074053795 /nfs/dbraw/zinc/05/37/95/1074053795.db2.gz NMRPRPNBBAFXDH-LKUPVBHCSA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593227 1074053806 /nfs/dbraw/zinc/05/38/06/1074053806.db2.gz NMRPRPNBBAFXDH-LKUPVBHCSA-N 2 1 413.566 1.666 20 0 HDADMP Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000674132539 1074188391 /nfs/dbraw/zinc/18/83/91/1074188391.db2.gz WQKJDCMCOSQSKG-SFHVURJKSA-N 2 1 424.549 1.358 20 0 HDADMP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670481525 1074534761 /nfs/dbraw/zinc/53/47/61/1074534761.db2.gz MMXJHDTZWHTPPH-SFHVURJKSA-N 2 1 407.603 1.039 20 0 HDADMP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670481525 1074534767 /nfs/dbraw/zinc/53/47/67/1074534767.db2.gz MMXJHDTZWHTPPH-SFHVURJKSA-N 2 1 407.603 1.039 20 0 HDADMP CCC(=O)N1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000674909496 1074615301 /nfs/dbraw/zinc/61/53/01/1074615301.db2.gz NIXRKIVNBSYXMW-UHFFFAOYSA-N 2 1 402.539 1.838 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000477112163 1074817643 /nfs/dbraw/zinc/81/76/43/1074817643.db2.gz ZSVRIOIPFPYFKN-QZTJIDSGSA-N 2 1 404.555 1.370 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000477112163 1074817655 /nfs/dbraw/zinc/81/76/55/1074817655.db2.gz ZSVRIOIPFPYFKN-QZTJIDSGSA-N 2 1 404.555 1.370 20 0 HDADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427102997 1075097120 /nfs/dbraw/zinc/09/71/20/1075097120.db2.gz INLDTLCYLOTVFI-SFHVURJKSA-N 2 1 404.559 1.859 20 0 HDADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1OC ZINC000429352706 1075170807 /nfs/dbraw/zinc/17/08/07/1075170807.db2.gz IJARQZNSBOVNDP-KRWDZBQOSA-N 2 1 408.543 1.946 20 0 HDADMP CC[NH+](CC)CCOc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1OC ZINC000429352706 1075170808 /nfs/dbraw/zinc/17/08/08/1075170808.db2.gz IJARQZNSBOVNDP-KRWDZBQOSA-N 2 1 408.543 1.946 20 0 HDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000675552497 1075207322 /nfs/dbraw/zinc/20/73/22/1075207322.db2.gz GEDNCYHAJIVBKQ-QZTJIDSGSA-N 2 1 409.456 1.853 20 0 HDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047872 1075339829 /nfs/dbraw/zinc/33/98/29/1075339829.db2.gz VPLDKZHSBQFUSD-CEWLAPEOSA-N 2 1 407.603 1.222 20 0 HDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047872 1075339837 /nfs/dbraw/zinc/33/98/37/1075339837.db2.gz VPLDKZHSBQFUSD-CEWLAPEOSA-N 2 1 407.603 1.222 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676278776 1075479742 /nfs/dbraw/zinc/47/97/42/1075479742.db2.gz JRFNSPPPYQLQJU-YLJYHZDGSA-N 2 1 402.539 1.489 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278776 1075479747 /nfs/dbraw/zinc/47/97/47/1075479747.db2.gz JRFNSPPPYQLQJU-YLJYHZDGSA-N 2 1 402.539 1.489 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676280864 1075485589 /nfs/dbraw/zinc/48/55/89/1075485589.db2.gz UJCJJXMGZPFKKG-LPHOPBHVSA-N 2 1 406.527 1.181 20 0 HDADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280864 1075485593 /nfs/dbraw/zinc/48/55/93/1075485593.db2.gz UJCJJXMGZPFKKG-LPHOPBHVSA-N 2 1 406.527 1.181 20 0 HDADMP CN(c1ccccc1C[NH+]1CCN(c2nc(N)ns2)CC1)C1CC[NH+](C)CC1 ZINC000539910522 1075681476 /nfs/dbraw/zinc/68/14/76/1075681476.db2.gz BVYJWTVPUCMBKH-UHFFFAOYSA-N 2 1 401.584 1.973 20 0 HDADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000732416110 1075739656 /nfs/dbraw/zinc/73/96/56/1075739656.db2.gz CZBWWGJYNBQZFD-UHFFFAOYSA-N 2 1 402.587 1.978 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)n2)CC1 ZINC000437091254 1075779764 /nfs/dbraw/zinc/77/97/64/1075779764.db2.gz CBRMPKRDEKXBRW-LJQANCHMSA-N 2 1 416.570 2.002 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534530750 1076247867 /nfs/dbraw/zinc/24/78/67/1076247867.db2.gz JGBRNFSPVHJKBF-NRFANRHFSA-N 2 1 409.534 1.964 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534530750 1076247869 /nfs/dbraw/zinc/24/78/69/1076247869.db2.gz JGBRNFSPVHJKBF-NRFANRHFSA-N 2 1 409.534 1.964 20 0 HDADMP CCOC(=O)c1nc2ccn(C)c2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679647 719633929 /nfs/dbraw/zinc/63/39/29/719633929.db2.gz KAPJGLGSPRVAGR-UHFFFAOYSA-N 2 1 411.510 1.817 20 0 HDADMP CCOC(=O)c1nc2ccn(C)c2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679647 719633931 /nfs/dbraw/zinc/63/39/31/719633931.db2.gz KAPJGLGSPRVAGR-UHFFFAOYSA-N 2 1 411.510 1.817 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807949 720075106 /nfs/dbraw/zinc/07/51/06/720075106.db2.gz GPXUTTRLPBWPAM-DENIHFKCSA-N 2 1 400.571 1.413 20 0 HDADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)[nH+]cc21 ZINC001164854884 720871817 /nfs/dbraw/zinc/87/18/17/720871817.db2.gz GGBAHTHHCHWQIA-BEFAXECRSA-N 2 1 402.495 1.913 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865722 721114770 /nfs/dbraw/zinc/11/47/70/721114770.db2.gz OVMRUPYADWKQLL-PMACEKPBSA-N 2 1 409.538 1.279 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164870252 721126510 /nfs/dbraw/zinc/12/65/10/721126510.db2.gz CBAGYZKATDCCDO-LEWJYISDSA-N 2 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164870252 721126513 /nfs/dbraw/zinc/12/65/13/721126513.db2.gz CBAGYZKATDCCDO-LEWJYISDSA-N 3 1 408.550 1.884 20 0 HDADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)[nH+]2)CC1 ZINC001164870252 721126516 /nfs/dbraw/zinc/12/65/16/721126516.db2.gz CBAGYZKATDCCDO-LEWJYISDSA-N 3 1 408.550 1.884 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879871 721168300 /nfs/dbraw/zinc/16/83/00/721168300.db2.gz UWKHPQNFOYOQCE-VQTJNVASSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164879871 721168306 /nfs/dbraw/zinc/16/83/06/721168306.db2.gz UWKHPQNFOYOQCE-VQTJNVASSA-N 2 1 409.538 1.103 20 0 HDADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895419 721425239 /nfs/dbraw/zinc/42/52/39/721425239.db2.gz OUTJPEAWYMMTPY-REWPJTCUSA-N 2 1 414.598 1.709 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809392 721558131 /nfs/dbraw/zinc/55/81/31/721558131.db2.gz WVMTVHDANVJEQW-WOIUINJBSA-N 2 1 409.538 1.149 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164809392 721558134 /nfs/dbraw/zinc/55/81/34/721558134.db2.gz WVMTVHDANVJEQW-WOIUINJBSA-N 2 1 409.538 1.149 20 0 HDADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429045246 1073460688 /nfs/dbraw/zinc/46/06/88/1073460688.db2.gz SMLRVVONRUBQRY-RTWAWAEBSA-N 2 1 418.607 1.968 20 0 HDADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429045246 1073460691 /nfs/dbraw/zinc/46/06/91/1073460691.db2.gz SMLRVVONRUBQRY-RTWAWAEBSA-N 2 1 418.607 1.968 20 0 HDADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415098 1073570627 /nfs/dbraw/zinc/57/06/27/1073570627.db2.gz IYFXILYACKWXRH-QUCCMNQESA-N 2 1 407.518 1.682 20 0 HDADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415097 1073570880 /nfs/dbraw/zinc/57/08/80/1073570880.db2.gz IYFXILYACKWXRH-ICSRJNTNSA-N 2 1 407.518 1.682 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000673872518 1073837458 /nfs/dbraw/zinc/83/74/58/1073837458.db2.gz ZBMREMWKNSSUSY-UHFFFAOYSA-N 2 1 413.570 1.726 20 0 HDADMP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543521176 1073987753 /nfs/dbraw/zinc/98/77/53/1073987753.db2.gz AQRZBWXJECKTGY-UHFFFAOYSA-N 2 1 402.539 1.761 20 0 HDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000674023167 1074082440 /nfs/dbraw/zinc/08/24/40/1074082440.db2.gz ROQYFNHSEAXKDL-INIZCTEOSA-N 2 1 417.554 1.935 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000674327710 1074277533 /nfs/dbraw/zinc/27/75/33/1074277533.db2.gz MOSOTIGXQRUTJJ-SFHVURJKSA-N 2 1 404.555 1.817 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000674327710 1074277541 /nfs/dbraw/zinc/27/75/41/1074277541.db2.gz MOSOTIGXQRUTJJ-SFHVURJKSA-N 2 1 404.555 1.817 20 0 HDADMP C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000429234658 1074452132 /nfs/dbraw/zinc/45/21/32/1074452132.db2.gz ZFXJTVSJGJZQHV-UWJYYQICSA-N 2 1 409.530 1.986 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000477062975 1074773514 /nfs/dbraw/zinc/77/35/14/1074773514.db2.gz ZAGGCICJCHHDRT-HKUYNNGSSA-N 2 1 406.596 1.567 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000477062975 1074773524 /nfs/dbraw/zinc/77/35/24/1074773524.db2.gz ZAGGCICJCHHDRT-HKUYNNGSSA-N 2 1 406.596 1.567 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000477063247 1074774633 /nfs/dbraw/zinc/77/46/33/1074774633.db2.gz ZUSFHLPEPXEUCU-HNNXBMFYSA-N 2 1 410.509 1.892 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000477070244 1074779214 /nfs/dbraw/zinc/77/92/14/1074779214.db2.gz RVOZEKWDANSUIO-RTBURBONSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000477103205 1074801310 /nfs/dbraw/zinc/80/13/10/1074801310.db2.gz UYDWTBRPZBTUDH-ICSRJNTNSA-N 2 1 404.555 1.240 20 0 HDADMP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)CC[N@H+]1C ZINC001005592717 1074817508 /nfs/dbraw/zinc/81/75/08/1074817508.db2.gz POIPOCPVXYUKQE-ZRSRNVLSSA-N 2 1 402.539 1.933 20 0 HDADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670527143 1075151471 /nfs/dbraw/zinc/15/14/71/1075151471.db2.gz GYQNTBOOZVRYCY-LJQANCHMSA-N 2 1 406.571 1.225 20 0 HDADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675498129 1075179363 /nfs/dbraw/zinc/17/93/63/1075179363.db2.gz MTSUHZFPLWAQPR-FQEVSTJZSA-N 2 1 423.561 1.741 20 0 HDADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000675552499 1075207315 /nfs/dbraw/zinc/20/73/15/1075207315.db2.gz GEDNCYHAJIVBKQ-ZWKOTPCHSA-N 2 1 409.456 1.853 20 0 HDADMP CN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675577135 1075210081 /nfs/dbraw/zinc/21/00/81/1075210081.db2.gz XDWVVQPGINOLOW-FCHUYYIVSA-N 2 1 415.582 1.309 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435022264 1075229428 /nfs/dbraw/zinc/22/94/28/1075229428.db2.gz WMZBEUXPEDEERK-KRWDZBQOSA-N 2 1 419.570 2.319 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000445012206 1075229772 /nfs/dbraw/zinc/22/97/72/1075229772.db2.gz OOMKLBVKVUVGAK-AWEZNQCLSA-N 2 1 406.560 2.116 20 0 HDADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)c2)C1 ZINC000543647403 1075280303 /nfs/dbraw/zinc/28/03/03/1075280303.db2.gz WARFYLWIGCJQBD-LJQANCHMSA-N 2 1 409.534 1.776 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)c2)C1 ZINC000543647403 1075280306 /nfs/dbraw/zinc/28/03/06/1075280306.db2.gz WARFYLWIGCJQBD-LJQANCHMSA-N 2 1 409.534 1.776 20 0 HDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676099761 1075364944 /nfs/dbraw/zinc/36/49/44/1075364944.db2.gz WOIPDRIYAVFJGO-PKOBYXMFSA-N 2 1 412.538 1.553 20 0 HDADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138969 1075406444 /nfs/dbraw/zinc/40/64/44/1075406444.db2.gz ICZUEIZZCSXGDK-RTWAWAEBSA-N 2 1 417.598 1.195 20 0 HDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000676280576 1075485907 /nfs/dbraw/zinc/48/59/07/1075485907.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000676280576 1075485912 /nfs/dbraw/zinc/48/59/12/1075485912.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000676280576 1075485915 /nfs/dbraw/zinc/48/59/15/1075485915.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000676280576 1075485918 /nfs/dbraw/zinc/48/59/18/1075485918.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 2 1 402.539 1.821 20 0 HDADMP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676294972 1075498428 /nfs/dbraw/zinc/49/84/28/1075498428.db2.gz GWKTWACEAJFHJS-NLWGTHIKSA-N 2 1 404.555 1.905 20 0 HDADMP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676294972 1075498431 /nfs/dbraw/zinc/49/84/31/1075498431.db2.gz GWKTWACEAJFHJS-NLWGTHIKSA-N 2 1 404.555 1.905 20 0 HDADMP O=C(NCCC[NH+]1CCCC1)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676307647 1075505598 /nfs/dbraw/zinc/50/55/98/1075505598.db2.gz YAZBZXVMXAABBP-UHFFFAOYSA-N 2 1 402.543 1.132 20 0 HDADMP COc1cc2[nH+]c(NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)nc(N)c2cc1OC ZINC000486157746 1075702311 /nfs/dbraw/zinc/70/23/11/1075702311.db2.gz NSFJTYGCQIBHAM-MRXNPFEDSA-N 2 1 409.490 1.482 20 0 HDADMP COc1cc2[nH+]c(NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)nc(N)c2cc1OC ZINC000486157746 1075702318 /nfs/dbraw/zinc/70/23/18/1075702318.db2.gz NSFJTYGCQIBHAM-MRXNPFEDSA-N 2 1 409.490 1.482 20 0 HDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@H+]1Cc1ccccc1 ZINC000466709565 1075812295 /nfs/dbraw/zinc/81/22/95/1075812295.db2.gz DWAXOMJIOMMXAM-FUHWJXTLSA-N 2 1 404.474 1.985 20 0 HDADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489367048 1075883054 /nfs/dbraw/zinc/88/30/54/1075883054.db2.gz KHRKLWHVNSFYGP-SFTDATJTSA-N 2 1 415.582 1.906 20 0 HDADMP CC[NH+]1CC[C@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000494800176 1076003219 /nfs/dbraw/zinc/00/32/19/1076003219.db2.gz NBNZJFUHNOIQEO-RBUKOAKNSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)Cc2c(C(=O)NC[C@H]3CC[N@H+](CC)C3)c(C)cn2C)C1 ZINC000494800176 1076003226 /nfs/dbraw/zinc/00/32/26/1076003226.db2.gz NBNZJFUHNOIQEO-RBUKOAKNSA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)Cc2c(C(=O)NC[C@H]3CC[N@@H+](CC)C3)c(C)cn2C)C1 ZINC000494800176 1076003231 /nfs/dbraw/zinc/00/32/31/1076003231.db2.gz NBNZJFUHNOIQEO-RBUKOAKNSA-N 2 1 417.598 1.406 20 0 HDADMP C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000727075637 1076038594 /nfs/dbraw/zinc/03/85/94/1076038594.db2.gz IRKCWZDJPJMZFJ-UHFFFAOYSA-N 2 1 405.612 1.626 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@H]3CC[N@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528424 1076236616 /nfs/dbraw/zinc/23/66/16/1076236616.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@@H]3CC[N@@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528424 1076236618 /nfs/dbraw/zinc/23/66/18/1076236618.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@@H]3CC[N@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528424 1076236623 /nfs/dbraw/zinc/23/66/23/1076236623.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683206 719622946 /nfs/dbraw/zinc/62/29/46/719622946.db2.gz RJMSOMZBJYOQJY-MRXNPFEDSA-N 2 1 410.526 1.093 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683206 719622951 /nfs/dbraw/zinc/62/29/51/719622951.db2.gz RJMSOMZBJYOQJY-MRXNPFEDSA-N 2 1 410.526 1.093 20 0 HDADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819442 720173320 /nfs/dbraw/zinc/17/33/20/720173320.db2.gz XCHBQPZBQYAYGY-GCJKJVERSA-N 2 1 401.555 1.792 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1 ZINC001164860161 720869694 /nfs/dbraw/zinc/86/96/94/720869694.db2.gz VQRKLQMJAFQMMA-WOJBJXKFSA-N 2 1 404.555 1.730 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164853360 720886574 /nfs/dbraw/zinc/88/65/74/720886574.db2.gz CAXGAOAQBBGTDE-WIYYLYMNSA-N 3 1 404.555 1.728 20 0 HDADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1 ZINC001164853360 720886576 /nfs/dbraw/zinc/88/65/76/720886576.db2.gz CAXGAOAQBBGTDE-WIYYLYMNSA-N 2 1 404.555 1.728 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC[C@@H]2C1 ZINC001164853360 720886579 /nfs/dbraw/zinc/88/65/79/720886579.db2.gz CAXGAOAQBBGTDE-WIYYLYMNSA-N 2 1 404.555 1.728 20 0 HDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)[C@H]2C ZINC001164859676 720980715 /nfs/dbraw/zinc/98/07/15/720980715.db2.gz LCZVIIAFWMERNF-KRWDZBQOSA-N 2 1 411.554 1.745 20 0 HDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164865344 721110150 /nfs/dbraw/zinc/11/01/50/721110150.db2.gz KFGJXYFALPEHEK-VQTJNVASSA-N 2 1 422.533 1.002 20 0 HDADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164880271 721149494 /nfs/dbraw/zinc/14/94/94/721149494.db2.gz VQMOHOPTEHQVKD-AZUAARDMSA-N 2 1 410.522 1.482 20 0 HDADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC001164872122 721278713 /nfs/dbraw/zinc/27/87/13/721278713.db2.gz AKUIOFKDUMWRBP-UHFFFAOYSA-N 2 1 401.555 1.689 20 0 HDADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C4C[NH2+]C4)ncn3)C2)C1 ZINC001164785338 721377187 /nfs/dbraw/zinc/37/71/87/721377187.db2.gz RDQPGVLTKNGKFE-QFIPXVFZSA-N 2 1 412.538 1.887 20 0 HDADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C4C[NH2+]C4)ncn3)C2)C1 ZINC001164785338 721377192 /nfs/dbraw/zinc/37/71/92/721377192.db2.gz RDQPGVLTKNGKFE-QFIPXVFZSA-N 2 1 412.538 1.887 20 0 HDADMP c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164788984 721433140 /nfs/dbraw/zinc/43/31/40/721433140.db2.gz UVYJTEKTORPEOE-CALCHBBNSA-N 2 1 400.552 1.880 20 0 HDADMP c1csc(C[N@H+]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)n1 ZINC001164788984 721433142 /nfs/dbraw/zinc/43/31/42/721433142.db2.gz UVYJTEKTORPEOE-CALCHBBNSA-N 2 1 400.552 1.880 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806630 721536464 /nfs/dbraw/zinc/53/64/64/721536464.db2.gz PJPCWZWIAOUFLZ-KNKQGSTJSA-N 2 1 409.538 1.149 20 0 HDADMP Clc1nc2c(c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C[NH2+]CC2 ZINC001164985998 722100224 /nfs/dbraw/zinc/10/02/24/722100224.db2.gz XQWRGKLQOHOBMZ-LPHOPBHVSA-N 2 1 414.941 1.898 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976025 722134083 /nfs/dbraw/zinc/13/40/83/722134083.db2.gz GKTXNGYALYDKGI-RBBKRZOGSA-N 2 1 408.550 1.614 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978902 722149729 /nfs/dbraw/zinc/14/97/29/722149729.db2.gz KRHGRMNBNJXEOD-LEWJYISDSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978902 722149732 /nfs/dbraw/zinc/14/97/32/722149732.db2.gz KRHGRMNBNJXEOD-LEWJYISDSA-N 2 1 423.565 1.351 20 0 HDADMP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000673637209 1073463925 /nfs/dbraw/zinc/46/39/25/1073463925.db2.gz JZSMKNYNEPEDHZ-HSZRJFAPSA-N 2 1 410.518 1.554 20 0 HDADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429049281 1073469048 /nfs/dbraw/zinc/46/90/48/1073469048.db2.gz UMUKNXZUYGINAD-VXKWHMMOSA-N 2 1 416.566 1.641 20 0 HDADMP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)c2)CC1 ZINC000673650313 1073544087 /nfs/dbraw/zinc/54/40/87/1073544087.db2.gz MOXNAVAVXGCIGX-JOCHJYFZSA-N 2 1 400.567 1.761 20 0 HDADMP CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665397 1073618145 /nfs/dbraw/zinc/61/81/45/1073618145.db2.gz KCDWRRMLVFVNLR-NRFANRHFSA-N 2 1 413.566 1.449 20 0 HDADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708242 /nfs/dbraw/zinc/70/82/42/1073708242.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708258 /nfs/dbraw/zinc/70/82/58/1073708258.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708266 /nfs/dbraw/zinc/70/82/66/1073708266.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 2 1 415.582 1.880 20 0 HDADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778014 1073734248 /nfs/dbraw/zinc/73/42/48/1073734248.db2.gz SAEAULNVCGXVAR-VQTJNVASSA-N 2 1 423.989 1.648 20 0 HDADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995540 /nfs/dbraw/zinc/99/55/40/1073995540.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995543 /nfs/dbraw/zinc/99/55/43/1073995543.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995546 /nfs/dbraw/zinc/99/55/46/1073995546.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 2 1 422.520 1.847 20 0 HDADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593229 1074053834 /nfs/dbraw/zinc/05/38/34/1074053834.db2.gz NMRPRPNBBAFXDH-PBEJRMEISA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593229 1074053843 /nfs/dbraw/zinc/05/38/43/1074053843.db2.gz NMRPRPNBBAFXDH-PBEJRMEISA-N 2 1 413.566 1.666 20 0 HDADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593229 1074053851 /nfs/dbraw/zinc/05/38/51/1074053851.db2.gz NMRPRPNBBAFXDH-PBEJRMEISA-N 2 1 413.566 1.666 20 0 HDADMP COC1CC[NH+](CCNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674328081 1074277005 /nfs/dbraw/zinc/27/70/05/1074277005.db2.gz HBUYOHHBARTUIY-IBGZPJMESA-N 2 1 403.571 1.607 20 0 HDADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674329942 1074279055 /nfs/dbraw/zinc/27/90/55/1074279055.db2.gz VGROLBGSNMXBOF-NRFANRHFSA-N 2 1 409.619 1.450 20 0 HDADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000674403701 1074315311 /nfs/dbraw/zinc/31/53/11/1074315311.db2.gz IHJDYXVYGZAEMQ-OAQYLSRUSA-N 2 1 421.630 1.691 20 0 HDADMP C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000429234651 1074452105 /nfs/dbraw/zinc/45/21/05/1074452105.db2.gz ZFXJTVSJGJZQHV-LAUBAEHRSA-N 2 1 409.530 1.986 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710076 1074537214 /nfs/dbraw/zinc/53/72/14/1074537214.db2.gz WPRUHKRTRMWEMT-ZYGGUILKSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)[NH+](C4CC4)C3)n2)C[N@@H+]1C1CC1 ZINC000674710076 1074537224 /nfs/dbraw/zinc/53/72/24/1074537224.db2.gz WPRUHKRTRMWEMT-ZYGGUILKSA-N 2 1 411.550 1.792 20 0 HDADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)[NH+](C4CC4)C3)n2)C[N@H+]1C1CC1 ZINC000674710076 1074537233 /nfs/dbraw/zinc/53/72/33/1074537233.db2.gz WPRUHKRTRMWEMT-ZYGGUILKSA-N 2 1 411.550 1.792 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000477026305 1074704419 /nfs/dbraw/zinc/70/44/19/1074704419.db2.gz GOOWUPFBSPASLC-GOSISDBHSA-N 2 1 404.555 1.576 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000477026305 1074704426 /nfs/dbraw/zinc/70/44/26/1074704426.db2.gz GOOWUPFBSPASLC-GOSISDBHSA-N 2 1 404.555 1.576 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000675103080 1074719712 /nfs/dbraw/zinc/71/97/12/1074719712.db2.gz IFGIBCKYMQAVKQ-BAGYTPMASA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103080 1074719722 /nfs/dbraw/zinc/71/97/22/1074719722.db2.gz IFGIBCKYMQAVKQ-BAGYTPMASA-N 2 1 415.582 1.355 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[NH+]1Cc1ccccc1 ZINC000675103080 1074719730 /nfs/dbraw/zinc/71/97/30/1074719730.db2.gz IFGIBCKYMQAVKQ-BAGYTPMASA-N 2 1 415.582 1.355 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000477066195 1074775642 /nfs/dbraw/zinc/77/56/42/1074775642.db2.gz LUCTZNUTYBDINI-IBGZPJMESA-N 2 1 403.571 1.114 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000477094782 1074791777 /nfs/dbraw/zinc/79/17/77/1074791777.db2.gz FLBSSPLJPVQRNP-LJQANCHMSA-N 3 1 423.646 1.488 20 0 HDADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138970 1075406425 /nfs/dbraw/zinc/40/64/25/1075406425.db2.gz ICZUEIZZCSXGDK-SFTDATJTSA-N 2 1 417.598 1.195 20 0 HDADMP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138968 1075406527 /nfs/dbraw/zinc/40/65/27/1075406527.db2.gz ICZUEIZZCSXGDK-NHCUHLMSSA-N 2 1 417.598 1.195 20 0 HDADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676316801 1075506488 /nfs/dbraw/zinc/50/64/88/1075506488.db2.gz AJFCXVVMWZKBGN-KNQAVFIVSA-N 2 1 400.567 1.562 20 0 HDADMP CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000543670773 1075515823 /nfs/dbraw/zinc/51/58/23/1075515823.db2.gz RNWAHRYGPRSVRA-NHCUHLMSSA-N 2 1 421.630 1.689 20 0 HDADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)CC1 ZINC000676359441 1075533128 /nfs/dbraw/zinc/53/31/28/1075533128.db2.gz QXVUYRCWIDGNJV-YADHBBJMSA-N 2 1 421.630 1.830 20 0 HDADMP C[C@H](CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437379 1075558969 /nfs/dbraw/zinc/55/89/69/1075558969.db2.gz ZKIIKOOPNGFWQT-NJYVYQBISA-N 2 1 423.646 1.791 20 0 HDADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437379 1075558976 /nfs/dbraw/zinc/55/89/76/1075558976.db2.gz ZKIIKOOPNGFWQT-NJYVYQBISA-N 2 1 423.646 1.791 20 0 HDADMP C[C@H](CNC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000429437379 1075558982 /nfs/dbraw/zinc/55/89/82/1075558982.db2.gz ZKIIKOOPNGFWQT-NJYVYQBISA-N 2 1 423.646 1.791 20 0 HDADMP COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701259 1075651704 /nfs/dbraw/zinc/65/17/04/1075651704.db2.gz BLVJXHYFTLGIAF-UXHICEINSA-N 2 1 407.555 1.293 20 0 HDADMP COc1ccc(COC[C@@H](O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000676701259 1075651709 /nfs/dbraw/zinc/65/17/09/1075651709.db2.gz BLVJXHYFTLGIAF-UXHICEINSA-N 2 1 407.555 1.293 20 0 HDADMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000429464254 1075678570 /nfs/dbraw/zinc/67/85/70/1075678570.db2.gz DPTVLQHXOXBPEP-RTBURBONSA-N 2 1 415.582 1.609 20 0 HDADMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000429464252 1075678624 /nfs/dbraw/zinc/67/86/24/1075678624.db2.gz DPTVLQHXOXBPEP-OALUTQOASA-N 2 1 415.582 1.609 20 0 HDADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000732246127 1075679829 /nfs/dbraw/zinc/67/98/29/1075679829.db2.gz NKWPDRZEVUYMBQ-PZJWPPBQSA-N 2 1 402.539 1.824 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257541 1075688596 /nfs/dbraw/zinc/68/85/96/1075688596.db2.gz SATGTFFFDUYXNG-MOPGFXCFSA-N 2 1 405.543 1.666 20 0 HDADMP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257541 1075688599 /nfs/dbraw/zinc/68/85/99/1075688599.db2.gz SATGTFFFDUYXNG-MOPGFXCFSA-N 2 1 405.543 1.666 20 0 HDADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+](C)Cc1ccccc1 ZINC000426928747 1075755580 /nfs/dbraw/zinc/75/55/80/1075755580.db2.gz KHKYFOJUMISGMY-QGZVFWFLSA-N 2 1 412.538 1.725 20 0 HDADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000427018155 1075755689 /nfs/dbraw/zinc/75/56/89/1075755689.db2.gz ZGEOQPSFYXZEMB-QGZVFWFLSA-N 2 1 424.549 1.651 20 0 HDADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCc2ccccc2C1 ZINC000427018155 1075755692 /nfs/dbraw/zinc/75/56/92/1075755692.db2.gz ZGEOQPSFYXZEMB-QGZVFWFLSA-N 2 1 424.549 1.651 20 0 HDADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671746603 1075774641 /nfs/dbraw/zinc/77/46/41/1075774641.db2.gz JHSOMESHCZUZJU-UHFFFAOYSA-N 2 1 408.612 1.596 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000491331232 1075784873 /nfs/dbraw/zinc/78/48/73/1075784873.db2.gz CLAWPAAXLDTVID-QFIPXVFZSA-N 2 1 412.538 1.908 20 0 HDADMP CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000732569189 1075790248 /nfs/dbraw/zinc/79/02/48/1075790248.db2.gz FBJGZAUGMNONOQ-OAQYLSRUSA-N 2 1 401.511 1.149 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@@H]2CC[N@H+](CC)C2)C1 ZINC000494800175 1076003282 /nfs/dbraw/zinc/00/32/82/1076003282.db2.gz NBNZJFUHNOIQEO-OALUTQOASA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)Cc2c(C(=O)NC[C@@H]3CC[N@H+](CC)C3)c(C)cn2C)C1 ZINC000494800175 1076003286 /nfs/dbraw/zinc/00/32/86/1076003286.db2.gz NBNZJFUHNOIQEO-OALUTQOASA-N 2 1 417.598 1.406 20 0 HDADMP CC[NH+]1CC[C@@H](CNC(=O)Cc2c(C(=O)NC[C@@H]3CC[N@@H+](CC)C3)c(C)cn2C)C1 ZINC000494800175 1076003295 /nfs/dbraw/zinc/00/32/95/1076003295.db2.gz NBNZJFUHNOIQEO-OALUTQOASA-N 2 1 417.598 1.406 20 0 HDADMP NC(=O)COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000731040776 1076716755 /nfs/dbraw/zinc/71/67/55/1076716755.db2.gz AKVXIVQHSFVRBW-FQEVSTJZSA-N 2 1 410.518 1.538 20 0 HDADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCO[C@@]4(C[NH2+]CCOC4)C3)C2)cc1 ZINC001164423814 718914263 /nfs/dbraw/zinc/91/42/63/718914263.db2.gz JOZUQOPANXGEGC-QHCPKHFHSA-N 2 1 409.534 1.620 20 0 HDADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCO[C@@]4(C[NH2+]CCOC4)C3)C2)cc1 ZINC001164423814 718914267 /nfs/dbraw/zinc/91/42/67/718914267.db2.gz JOZUQOPANXGEGC-QHCPKHFHSA-N 2 1 409.534 1.620 20 0 HDADMP CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164686744 719735136 /nfs/dbraw/zinc/73/51/36/719735136.db2.gz QXDHDDLTKATYRA-UHFFFAOYSA-N 2 1 401.555 1.737 20 0 HDADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839440 720518460 /nfs/dbraw/zinc/51/84/60/720518460.db2.gz ULGRAAGIQVJHDN-SLFFLAALSA-N 2 1 410.570 1.461 20 0 HDADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743614 720841085 /nfs/dbraw/zinc/84/10/85/720841085.db2.gz JPZIRZIMSNKOEH-ILWGZMRPSA-N 2 1 422.581 1.462 20 0 HDADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)[C@@H]2C ZINC001164859677 720979925 /nfs/dbraw/zinc/97/99/25/720979925.db2.gz LCZVIIAFWMERNF-QGZVFWFLSA-N 2 1 411.554 1.745 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164869556 721045640 /nfs/dbraw/zinc/04/56/40/721045640.db2.gz UHSLBNFXGUUNRA-HOTGVXAUSA-N 2 1 400.914 1.650 20 0 HDADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164865852 721057946 /nfs/dbraw/zinc/05/79/46/721057946.db2.gz APAGUGFJMNNBPW-HOTGVXAUSA-N 2 1 400.914 1.650 20 0 HDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164865345 721110687 /nfs/dbraw/zinc/11/06/87/721110687.db2.gz KFGJXYFALPEHEK-WOJBJXKFSA-N 2 1 422.533 1.002 20 0 HDADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164880277 721148621 /nfs/dbraw/zinc/14/86/21/721148621.db2.gz VQMOHOPTEHQVKD-QUCCMNQESA-N 2 1 410.522 1.482 20 0 HDADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762847 721228981 /nfs/dbraw/zinc/22/89/81/721228981.db2.gz LLCATDZFSUATQK-VQTJNVASSA-N 2 1 411.554 1.547 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904684 721544735 /nfs/dbraw/zinc/54/47/35/721544735.db2.gz FZFJUAFDAJMPOQ-QUCCMNQESA-N 2 1 412.513 1.885 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801676 721567210 /nfs/dbraw/zinc/56/72/10/721567210.db2.gz HCGNRCMALWNOGY-KCZVDYSFSA-N 2 1 423.565 1.667 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801676 721567212 /nfs/dbraw/zinc/56/72/12/721567212.db2.gz HCGNRCMALWNOGY-KCZVDYSFSA-N 2 1 423.565 1.667 20 0 HDADMP Cc1noc(C)c1CN1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]21 ZINC001164946776 721953196 /nfs/dbraw/zinc/95/31/96/721953196.db2.gz OVPRZXKCLKFVPK-UXHICEINSA-N 2 1 412.538 1.704 20 0 HDADMP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978056 722130786 /nfs/dbraw/zinc/13/07/86/722130786.db2.gz JKLVGYDNZKTHPH-PZJWPPBQSA-N 2 1 423.565 1.526 20 0 HDADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C[NH+]2CCCC2)CC3)CC1 ZINC001165002725 722239710 /nfs/dbraw/zinc/23/97/10/722239710.db2.gz XRAWMOLJCBWLBV-UHFFFAOYSA-N 2 1 407.566 1.824 20 0 HDADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708477 /nfs/dbraw/zinc/70/84/77/1073708477.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708482 /nfs/dbraw/zinc/70/84/82/1073708482.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708489 /nfs/dbraw/zinc/70/84/89/1073708489.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 2 1 415.582 1.880 20 0 HDADMP C[C@@H](CCNC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777944 1073734090 /nfs/dbraw/zinc/73/40/90/1073734090.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000673777944 1073734100 /nfs/dbraw/zinc/73/41/00/1073734100.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 2 1 417.598 1.603 20 0 HDADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000673777944 1073734110 /nfs/dbraw/zinc/73/41/10/1073734110.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 2 1 417.598 1.603 20 0 HDADMP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000673851995 1073818068 /nfs/dbraw/zinc/81/80/68/1073818068.db2.gz LANMYFJOUMMVCA-UHFFFAOYSA-N 2 1 402.543 1.580 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000673869925 1073835540 /nfs/dbraw/zinc/83/55/40/1073835540.db2.gz GMVYILIDYALPAT-UHFFFAOYSA-N 2 1 400.531 1.174 20 0 HDADMP CCN1CC[NH+](Cc2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC000673865825 1073844485 /nfs/dbraw/zinc/84/44/85/1073844485.db2.gz QAXRYKXWOBRYDB-UHFFFAOYSA-N 2 1 413.570 1.904 20 0 HDADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896204 1073866470 /nfs/dbraw/zinc/86/64/70/1073866470.db2.gz RAPLRSPLHRJRIZ-UHFFFAOYSA-N 2 1 402.583 1.418 20 0 HDADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879446 1074600114 /nfs/dbraw/zinc/60/01/14/1074600114.db2.gz STEGQRGBYRIAPG-SFHVURJKSA-N 2 1 420.554 1.688 20 0 HDADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879446 1074600119 /nfs/dbraw/zinc/60/01/19/1074600119.db2.gz STEGQRGBYRIAPG-SFHVURJKSA-N 2 1 420.554 1.688 20 0 HDADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047876 1075340278 /nfs/dbraw/zinc/34/02/78/1075340278.db2.gz VPLDKZHSBQFUSD-JBACZVJFSA-N 2 1 407.603 1.222 20 0 HDADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047876 1075340285 /nfs/dbraw/zinc/34/02/85/1075340285.db2.gz VPLDKZHSBQFUSD-JBACZVJFSA-N 2 1 407.603 1.222 20 0 HDADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000676075733 1075343369 /nfs/dbraw/zinc/34/33/69/1075343369.db2.gz PFBLRQJAZQNPCM-OTWHNJEPSA-N 2 1 404.621 1.374 20 0 HDADMP COC(=O)COc1c(C)cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000731453919 1075363262 /nfs/dbraw/zinc/36/32/62/1075363262.db2.gz ULMSCLYVGUDJJJ-UHFFFAOYSA-N 2 1 405.539 1.888 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000676089201 1075373251 /nfs/dbraw/zinc/37/32/51/1075373251.db2.gz HZIXIVCHEZNPRE-UHFFFAOYSA-N 2 1 412.538 1.336 20 0 HDADMP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000676280578 1075485981 /nfs/dbraw/zinc/48/59/81/1075485981.db2.gz JQEFMFREUBUMAX-GUXCAODWSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000676280578 1075485987 /nfs/dbraw/zinc/48/59/87/1075485987.db2.gz JQEFMFREUBUMAX-GUXCAODWSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000676280578 1075485990 /nfs/dbraw/zinc/48/59/90/1075485990.db2.gz JQEFMFREUBUMAX-GUXCAODWSA-N 2 1 402.539 1.821 20 0 HDADMP CC(C)[C@H](C)[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000676280578 1075485993 /nfs/dbraw/zinc/48/59/93/1075485993.db2.gz JQEFMFREUBUMAX-GUXCAODWSA-N 2 1 402.539 1.821 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676281283 1075489292 /nfs/dbraw/zinc/48/92/92/1075489292.db2.gz VQLLIKVQWKTJGD-HLIPFELVSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676281283 1075489293 /nfs/dbraw/zinc/48/92/93/1075489293.db2.gz VQLLIKVQWKTJGD-HLIPFELVSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676281283 1075489294 /nfs/dbraw/zinc/48/92/94/1075489294.db2.gz VQLLIKVQWKTJGD-HLIPFELVSA-N 2 1 402.539 1.692 20 0 HDADMP C[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676281283 1075489295 /nfs/dbraw/zinc/48/92/95/1075489295.db2.gz VQLLIKVQWKTJGD-HLIPFELVSA-N 2 1 402.539 1.692 20 0 HDADMP CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000731853468 1075534793 /nfs/dbraw/zinc/53/47/93/1075534793.db2.gz FMGFLZSEQAXOGU-KRWDZBQOSA-N 2 1 418.604 1.285 20 0 HDADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000732233215 1075685546 /nfs/dbraw/zinc/68/55/46/1075685546.db2.gz YGJBAFOFNJKUBI-MOPGFXCFSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000732233215 1075685550 /nfs/dbraw/zinc/68/55/50/1075685550.db2.gz YGJBAFOFNJKUBI-MOPGFXCFSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000732233215 1075685554 /nfs/dbraw/zinc/68/55/54/1075685554.db2.gz YGJBAFOFNJKUBI-MOPGFXCFSA-N 2 1 403.527 1.369 20 0 HDADMP COCC[NH+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000732233215 1075685558 /nfs/dbraw/zinc/68/55/58/1075685558.db2.gz YGJBAFOFNJKUBI-MOPGFXCFSA-N 2 1 403.527 1.369 20 0 HDADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000511719900 1075732878 /nfs/dbraw/zinc/73/28/78/1075732878.db2.gz BNNFVDOWVLGMEK-XLIONFOSSA-N 2 1 424.549 1.868 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000525741667 1075738059 /nfs/dbraw/zinc/73/80/59/1075738059.db2.gz CGCFGGOWJUUDHY-MRXNPFEDSA-N 2 1 405.572 1.616 20 0 HDADMP CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)C1=O ZINC000732569186 1075790272 /nfs/dbraw/zinc/79/02/72/1075790272.db2.gz FBJGZAUGMNONOQ-NRFANRHFSA-N 2 1 401.511 1.149 20 0 HDADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000495373711 1076009015 /nfs/dbraw/zinc/00/90/15/1076009015.db2.gz HNSZSEGOEPHUDP-GHTZIAJQSA-N 2 1 415.582 1.891 20 0 HDADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000727086219 1076041281 /nfs/dbraw/zinc/04/12/81/1076041281.db2.gz YNZYTVJNORMDPG-UHFFFAOYSA-N 2 1 421.611 1.957 20 0 HDADMP C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2Cl)CC1 ZINC000727232275 1076087062 /nfs/dbraw/zinc/08/70/62/1076087062.db2.gz ZWVGPZYVJNZOGX-QGZVFWFLSA-N 2 1 419.957 1.727 20 0 HDADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000733899208 1076260055 /nfs/dbraw/zinc/26/00/55/1076260055.db2.gz UXMYNLPJPQPEIJ-UHFFFAOYSA-N 2 1 421.586 1.962 20 0 HDADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000733899208 1076260059 /nfs/dbraw/zinc/26/00/59/1076260059.db2.gz UXMYNLPJPQPEIJ-UHFFFAOYSA-N 2 1 421.586 1.962 20 0 HDADMP COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000727833120 1076264455 /nfs/dbraw/zinc/26/44/55/1076264455.db2.gz NAFCXRXQMQZKQU-UHFFFAOYSA-N 2 1 404.511 1.525 20 0 HDADMP COCCN(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000733925375 1076268291 /nfs/dbraw/zinc/26/82/91/1076268291.db2.gz RIGOCUPAFVFSGF-UHFFFAOYSA-N 2 1 407.515 1.655 20 0 HDADMP C[N@H+](CCOc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000728030253 1076311980 /nfs/dbraw/zinc/31/19/80/1076311980.db2.gz COCWUWCVEPRSEO-UHFFFAOYSA-N 2 1 405.539 1.515 20 0 HDADMP C[N@@H+](CCOc1cccc(CNC(=O)CC[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000728030253 1076311986 /nfs/dbraw/zinc/31/19/86/1076311986.db2.gz COCWUWCVEPRSEO-UHFFFAOYSA-N 2 1 405.539 1.515 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2cc(S(=O)(=O)N3CCCC3)ccn2)c2c1CC[NH2+]C2 ZINC001164679471 719645106 /nfs/dbraw/zinc/64/51/06/719645106.db2.gz BPHOILIWSGSUEJ-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(S(=O)(=O)N3CCCC3)ccn2)c2c1CC[NH2+]C2 ZINC001164679471 719645109 /nfs/dbraw/zinc/64/51/09/719645109.db2.gz BPHOILIWSGSUEJ-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP c1csc(C[N@H+]2CCOC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)c1 ZINC001164698244 719893394 /nfs/dbraw/zinc/89/33/94/719893394.db2.gz QEYGSIOBOHVEOE-UHFFFAOYSA-N 2 1 414.579 1.819 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH2+]CC3)cn1)CCC2 ZINC001164813930 720230803 /nfs/dbraw/zinc/23/08/03/720230803.db2.gz RVFBWNSCXTWNJC-UHFFFAOYSA-N 2 1 411.554 1.298 20 0 HDADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735403 720425874 /nfs/dbraw/zinc/42/58/74/720425874.db2.gz XAAUZBKOTRNRGA-VQTJNVASSA-N 2 1 407.522 1.165 20 0 HDADMP c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164735403 720425879 /nfs/dbraw/zinc/42/58/79/720425879.db2.gz XAAUZBKOTRNRGA-VQTJNVASSA-N 2 1 407.522 1.165 20 0 HDADMP O=C(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164865342 721110779 /nfs/dbraw/zinc/11/07/79/721110779.db2.gz KFGJXYFALPEHEK-PMACEKPBSA-N 2 1 422.533 1.002 20 0 HDADMP CCc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762676 721164567 /nfs/dbraw/zinc/16/45/67/721164567.db2.gz DDIJPCANVWQKMH-MOPGFXCFSA-N 2 1 411.554 1.567 20 0 HDADMP CCc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762676 721164574 /nfs/dbraw/zinc/16/45/74/721164574.db2.gz DDIJPCANVWQKMH-MOPGFXCFSA-N 2 1 411.554 1.567 20 0 HDADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164789405 721455856 /nfs/dbraw/zinc/45/58/56/721455856.db2.gz VJMPLADTPRUZNN-SFHVURJKSA-N 2 1 401.555 1.814 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164789405 721455857 /nfs/dbraw/zinc/45/58/57/721455857.db2.gz VJMPLADTPRUZNN-SFHVURJKSA-N 2 1 401.555 1.814 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977259 722105736 /nfs/dbraw/zinc/10/57/36/722105736.db2.gz FLUQSCKJUNPYKE-UXHICEINSA-N 2 1 409.538 1.009 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000673656212 1073587792 /nfs/dbraw/zinc/58/77/92/1073587792.db2.gz FHNFHRJXAVVUEN-NRFANRHFSA-N 2 1 409.534 1.654 20 0 HDADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000673656212 1073587808 /nfs/dbraw/zinc/58/78/08/1073587808.db2.gz FHNFHRJXAVVUEN-NRFANRHFSA-N 2 1 409.534 1.654 20 0 HDADMP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673670606 1073625508 /nfs/dbraw/zinc/62/55/08/1073625508.db2.gz ZWSSSDJYTZCJJK-HSZRJFAPSA-N 2 1 413.610 1.826 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429148624 1073785766 /nfs/dbraw/zinc/78/57/66/1073785766.db2.gz DEVGVKOLNAJLHT-IBGZPJMESA-N 2 1 403.575 1.503 20 0 HDADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492963 1073822374 /nfs/dbraw/zinc/82/23/74/1073822374.db2.gz DHFJBHHDAJMIET-NRFANRHFSA-N 2 1 416.566 1.290 20 0 HDADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522644 1073993084 /nfs/dbraw/zinc/99/30/84/1073993084.db2.gz OYGQAZYNACUGGG-RTBURBONSA-N 2 1 407.603 1.740 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000674229432 1074235953 /nfs/dbraw/zinc/23/59/53/1074235953.db2.gz ZSBFACASQHSWCU-SFHVURJKSA-N 2 1 418.538 1.136 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000674327979 1074276972 /nfs/dbraw/zinc/27/69/72/1074276972.db2.gz FJEHFHYRMDCUJM-JOCHJYFZSA-N 2 1 417.598 1.775 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000674327979 1074276978 /nfs/dbraw/zinc/27/69/78/1074276978.db2.gz FJEHFHYRMDCUJM-JOCHJYFZSA-N 2 1 417.598 1.775 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000674327979 1074276983 /nfs/dbraw/zinc/27/69/83/1074276983.db2.gz FJEHFHYRMDCUJM-JOCHJYFZSA-N 2 1 417.598 1.775 20 0 HDADMP COC1CC[NH+](CCNC(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000674329384 1074285790 /nfs/dbraw/zinc/28/57/90/1074285790.db2.gz XUAZIHZTBSZRJH-UHFFFAOYSA-N 2 1 403.571 1.344 20 0 HDADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000674411562 1074313191 /nfs/dbraw/zinc/31/31/91/1074313191.db2.gz DSWNUWQTTLAKMC-FQEVSTJZSA-N 2 1 401.555 1.129 20 0 HDADMP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674630402 1074493713 /nfs/dbraw/zinc/49/37/13/1074493713.db2.gz BTEHYVITSGVPIX-SFHVURJKSA-N 2 1 409.600 1.228 20 0 HDADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000675086239 1074701947 /nfs/dbraw/zinc/70/19/47/1074701947.db2.gz UTFBTGAGZYMLAG-NQIIRXRSSA-N 2 1 420.598 1.467 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000477074758 1074779643 /nfs/dbraw/zinc/77/96/43/1074779643.db2.gz YDIZIGIDWPIJEG-OALUTQOASA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000477074761 1074779702 /nfs/dbraw/zinc/77/97/02/1074779702.db2.gz YDIZIGIDWPIJEG-RBUKOAKNSA-N 2 1 403.571 1.160 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509328650 1075113013 /nfs/dbraw/zinc/11/30/13/1075113013.db2.gz STHUGOSQZWJRHH-HDICACEKSA-N 2 1 411.591 1.070 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509328650 1075113015 /nfs/dbraw/zinc/11/30/15/1075113015.db2.gz STHUGOSQZWJRHH-HDICACEKSA-N 2 1 411.591 1.070 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511684 1075191182 /nfs/dbraw/zinc/19/11/82/1075191182.db2.gz RIVYULWIYGOPLQ-OTWHNJEPSA-N 2 1 414.550 1.675 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000675787017 1075271854 /nfs/dbraw/zinc/27/18/54/1075271854.db2.gz QLNWRPFZSYULJE-QZTJIDSGSA-N 2 1 400.523 1.708 20 0 HDADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000675934633 1075296330 /nfs/dbraw/zinc/29/63/30/1075296330.db2.gz QVZYQFGIYZFPMA-XLIONFOSSA-N 2 1 402.539 1.898 20 0 HDADMP Cc1ccc(NCCCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH+]c1 ZINC000547789018 1075302600 /nfs/dbraw/zinc/30/26/00/1075302600.db2.gz ANKPDKHCLSBFPZ-YOFSQIOKSA-N 2 1 400.571 2.144 20 0 HDADMP Cc1ccc(NCCCNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH+]c1 ZINC000547789018 1075302606 /nfs/dbraw/zinc/30/26/06/1075302606.db2.gz ANKPDKHCLSBFPZ-YOFSQIOKSA-N 2 1 400.571 2.144 20 0 HDADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1F ZINC000676092257 1075352539 /nfs/dbraw/zinc/35/25/39/1075352539.db2.gz DNJWHICZZCWUHY-UHFFFAOYSA-N 2 1 413.457 1.333 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000676093073 1075354812 /nfs/dbraw/zinc/35/48/12/1075354812.db2.gz RZSQCOZDTBXADK-IBGZPJMESA-N 2 1 412.538 1.412 20 0 HDADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098908 1075362948 /nfs/dbraw/zinc/36/29/48/1075362948.db2.gz HFOPOCJUVRVALO-XLIONFOSSA-N 2 1 412.538 1.410 20 0 HDADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676099759 1075364940 /nfs/dbraw/zinc/36/49/40/1075364940.db2.gz WOIPDRIYAVFJGO-MJGOQNOKSA-N 2 1 412.538 1.553 20 0 HDADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676190906 1075420624 /nfs/dbraw/zinc/42/06/24/1075420624.db2.gz CDLOFGRMFGSLIX-GIWBLDEGSA-N 2 1 401.551 1.508 20 0 HDADMP O=S(=O)(c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1)N1CCOCC1 ZINC000676239534 1075442577 /nfs/dbraw/zinc/44/25/77/1075442577.db2.gz HKYVAFFBLIQPOR-FQEVSTJZSA-N 2 1 423.579 1.441 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000676244992 1075446415 /nfs/dbraw/zinc/44/64/15/1075446415.db2.gz YKCMIRVDPCAURM-LAUBAEHRSA-N 2 1 404.555 1.926 20 0 HDADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000676244992 1075446421 /nfs/dbraw/zinc/44/64/21/1075446421.db2.gz YKCMIRVDPCAURM-LAUBAEHRSA-N 2 1 404.555 1.926 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000509417702 1075574483 /nfs/dbraw/zinc/57/44/83/1075574483.db2.gz QGLYZHMFLDTXAW-IBGZPJMESA-N 2 1 419.570 1.494 20 0 HDADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000509418842 1075575608 /nfs/dbraw/zinc/57/56/08/1075575608.db2.gz SWEAPUILJVGXMO-UHFFFAOYSA-N 2 1 403.571 1.704 20 0 HDADMP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446872210 1075585562 /nfs/dbraw/zinc/58/55/62/1075585562.db2.gz KGQFYASWDUWNLN-LJQANCHMSA-N 2 1 404.474 1.939 20 0 HDADMP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000732229680 1075684355 /nfs/dbraw/zinc/68/43/55/1075684355.db2.gz YEVVOGUJUZJBLQ-CVEARBPZSA-N 2 1 418.991 1.531 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000509438202 1075695764 /nfs/dbraw/zinc/69/57/64/1075695764.db2.gz MMAAROIQYMDRBL-IBGZPJMESA-N 2 1 415.582 1.256 20 0 HDADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000509441660 1075732343 /nfs/dbraw/zinc/73/23/43/1075732343.db2.gz XAVUGXNSYGTNQD-MOPGFXCFSA-N 2 1 417.598 1.406 20 0 HDADMP Nc1nc(-n2cccn2)cc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000553336046 1075749250 /nfs/dbraw/zinc/74/92/50/1075749250.db2.gz FQYIWVPCAAJFCJ-IBGZPJMESA-N 2 1 404.522 1.641 20 0 HDADMP Nc1nc(-n2cccn2)cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000553336046 1075749257 /nfs/dbraw/zinc/74/92/57/1075749257.db2.gz FQYIWVPCAAJFCJ-IBGZPJMESA-N 2 1 404.522 1.641 20 0 HDADMP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)n2)CC1 ZINC000491281245 1075784788 /nfs/dbraw/zinc/78/47/88/1075784788.db2.gz DUOJCYYCCCOFTQ-VQTJNVASSA-N 2 1 412.538 1.907 20 0 HDADMP CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217177 1075878229 /nfs/dbraw/zinc/87/82/29/1075878229.db2.gz VFJKOZZFLXJUGO-RTBURBONSA-N 2 1 414.579 1.681 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126390 1075978876 /nfs/dbraw/zinc/97/88/76/1075978876.db2.gz YAYKDSSOYNZHAQ-NQIIRXRSSA-N 2 1 413.566 1.710 20 0 HDADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000495373712 1076009098 /nfs/dbraw/zinc/00/90/98/1076009098.db2.gz HNSZSEGOEPHUDP-NQIIRXRSSA-N 2 1 415.582 1.891 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@@H]3CC[N@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528423 1076236569 /nfs/dbraw/zinc/23/65/69/1076236569.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@@H]3CC[N@@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528423 1076236574 /nfs/dbraw/zinc/23/65/74/1076236574.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@@H](CNc2cc(=NC[C@@H]3CC[N@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528423 1076236579 /nfs/dbraw/zinc/23/65/79/1076236579.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 2 1 400.575 1.831 20 0 HDADMP C[NH+]1CCC(NC(=S)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000730949324 1076700014 /nfs/dbraw/zinc/70/00/14/1076700014.db2.gz COOQTTMYAWPURV-SFHVURJKSA-N 2 1 403.596 1.442 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164411974 718875271 /nfs/dbraw/zinc/87/52/71/718875271.db2.gz SKHGRMIGELQLMJ-ZYSHUDEJSA-N 2 1 401.555 1.821 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164411974 718875272 /nfs/dbraw/zinc/87/52/72/718875272.db2.gz SKHGRMIGELQLMJ-ZYSHUDEJSA-N 2 1 401.555 1.821 20 0 HDADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819444 720172927 /nfs/dbraw/zinc/17/29/27/720172927.db2.gz XCHBQPZBQYAYGY-PGRDOPGGSA-N 2 1 401.555 1.792 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164723710 720293237 /nfs/dbraw/zinc/29/32/37/720293237.db2.gz XBIHLXPMVQGHMX-JOCHJYFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+](C)C4CC4)cn3)C2)C1 ZINC001164723710 720293246 /nfs/dbraw/zinc/29/32/46/720293246.db2.gz XBIHLXPMVQGHMX-JOCHJYFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(c3ccc(C[N@H+](C)C4CC4)cn3)C2)C1 ZINC001164723710 720293254 /nfs/dbraw/zinc/29/32/54/720293254.db2.gz XBIHLXPMVQGHMX-JOCHJYFZSA-N 2 1 401.555 1.341 20 0 HDADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(c3ccc(C[N@@H+](C)C4CC4)cn3)C2)C1 ZINC001164723710 720293262 /nfs/dbraw/zinc/29/32/62/720293262.db2.gz XBIHLXPMVQGHMX-JOCHJYFZSA-N 2 1 401.555 1.341 20 0 HDADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC001164827243 720327537 /nfs/dbraw/zinc/32/75/37/720327537.db2.gz HIJQPJVIXVBRFZ-OALUTQOASA-N 2 1 414.554 1.225 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]2C1 ZINC001164860157 720869827 /nfs/dbraw/zinc/86/98/27/720869827.db2.gz VQRKLQMJAFQMMA-PMACEKPBSA-N 2 1 404.555 1.730 20 0 HDADMP COCC[N@H+]1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1 ZINC001164860158 720869921 /nfs/dbraw/zinc/86/99/21/720869921.db2.gz VQRKLQMJAFQMMA-UXHICEINSA-N 2 1 404.555 1.730 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905404 721561268 /nfs/dbraw/zinc/56/12/68/721561268.db2.gz HGBFHVQMZIEMAK-ICSRJNTNSA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905404 721561271 /nfs/dbraw/zinc/56/12/71/721561271.db2.gz HGBFHVQMZIEMAK-ICSRJNTNSA-N 2 1 412.513 1.709 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164800352 721569739 /nfs/dbraw/zinc/56/97/39/721569739.db2.gz FCUZZHMQENITQL-XJUOHMSHSA-N 2 1 408.550 1.754 20 0 HDADMP C[NH+]1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)n2)CC1 ZINC001164958164 722051417 /nfs/dbraw/zinc/05/14/17/722051417.db2.gz DFSSBQAKHNYDMI-OPYAIIAOSA-N 2 1 409.538 1.529 20 0 HDADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977258 722105582 /nfs/dbraw/zinc/10/55/82/722105582.db2.gz FLUQSCKJUNPYKE-PMACEKPBSA-N 2 1 409.538 1.009 20 0 HDADMP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980525 722129194 /nfs/dbraw/zinc/12/91/94/722129194.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 2 1 422.577 1.956 20 0 HDADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429049279 1073469241 /nfs/dbraw/zinc/46/92/41/1073469241.db2.gz UMUKNXZUYGINAD-FCHUYYIVSA-N 2 1 416.566 1.641 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429148625 1073785901 /nfs/dbraw/zinc/78/59/01/1073785901.db2.gz DEVGVKOLNAJLHT-LJQANCHMSA-N 2 1 403.575 1.503 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867869 1073833144 /nfs/dbraw/zinc/83/31/44/1073833144.db2.gz SHFXMHYBHUOBSH-KRWDZBQOSA-N 2 1 400.531 1.172 20 0 HDADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995483 /nfs/dbraw/zinc/99/54/83/1073995483.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995491 /nfs/dbraw/zinc/99/54/91/1073995491.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 2 1 422.520 1.847 20 0 HDADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995497 /nfs/dbraw/zinc/99/54/97/1073995497.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 2 1 422.520 1.847 20 0 HDADMP COC1CC[NH+](CCNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674329799 1074279577 /nfs/dbraw/zinc/27/95/77/1074279577.db2.gz OEYPZARUJTUWSE-LJQANCHMSA-N 2 1 403.571 1.607 20 0 HDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)CC1 ZINC000674318910 1074279944 /nfs/dbraw/zinc/27/99/44/1074279944.db2.gz KVWOJEFYFPWVFH-NRFANRHFSA-N 2 1 413.566 1.999 20 0 HDADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)CC1 ZINC000674318910 1074279948 /nfs/dbraw/zinc/27/99/48/1074279948.db2.gz KVWOJEFYFPWVFH-NRFANRHFSA-N 2 1 413.566 1.999 20 0 HDADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000675201148 1074756490 /nfs/dbraw/zinc/75/64/90/1074756490.db2.gz ZNUOSCHTKGOYOV-HXUWFJFHSA-N 2 1 407.603 1.837 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000477062977 1074773383 /nfs/dbraw/zinc/77/33/83/1074773383.db2.gz ZAGGCICJCHHDRT-MJGOQNOKSA-N 2 1 406.596 1.567 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000477062977 1074773393 /nfs/dbraw/zinc/77/33/93/1074773393.db2.gz ZAGGCICJCHHDRT-MJGOQNOKSA-N 2 1 406.596 1.567 20 0 HDADMP CN(C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000675577138 1075210056 /nfs/dbraw/zinc/21/00/56/1075210056.db2.gz XDWVVQPGINOLOW-YADHBBJMSA-N 2 1 415.582 1.309 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000676094740 1075355554 /nfs/dbraw/zinc/35/55/54/1075355554.db2.gz OYZQJIXPQNVZMK-LJQANCHMSA-N 2 1 412.538 1.064 20 0 HDADMP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128853 1075388786 /nfs/dbraw/zinc/38/87/86/1075388786.db2.gz FPIOQARTKGUCPP-QUCCMNQESA-N 2 1 400.527 1.449 20 0 HDADMP C[C@@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676249653 1075467438 /nfs/dbraw/zinc/46/74/38/1075467438.db2.gz RDWXMPAKHCMKPO-NQIIRXRSSA-N 2 1 419.570 1.178 20 0 HDADMP C[C@@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676249653 1075467442 /nfs/dbraw/zinc/46/74/42/1075467442.db2.gz RDWXMPAKHCMKPO-NQIIRXRSSA-N 2 1 419.570 1.178 20 0 HDADMP C[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676249654 1075467486 /nfs/dbraw/zinc/46/74/86/1075467486.db2.gz RDWXMPAKHCMKPO-RXVVDRJESA-N 2 1 419.570 1.178 20 0 HDADMP C[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676249654 1075467490 /nfs/dbraw/zinc/46/74/90/1075467490.db2.gz RDWXMPAKHCMKPO-RXVVDRJESA-N 2 1 419.570 1.178 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278774 1075479883 /nfs/dbraw/zinc/47/98/83/1075479883.db2.gz JRFNSPPPYQLQJU-PXNSSMCTSA-N 2 1 402.539 1.489 20 0 HDADMP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278774 1075479885 /nfs/dbraw/zinc/47/98/85/1075479885.db2.gz JRFNSPPPYQLQJU-PXNSSMCTSA-N 2 1 402.539 1.489 20 0 HDADMP CC[C@H](C)n1nc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1C ZINC000439218682 1075488722 /nfs/dbraw/zinc/48/87/22/1075488722.db2.gz WQEWJTHIGDYACV-FUHWJXTLSA-N 2 1 406.575 1.976 20 0 HDADMP CC[NH+]1CCN(c2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2F)CC1 ZINC000676343549 1075517448 /nfs/dbraw/zinc/51/74/48/1075517448.db2.gz UAOQGWRBSZZCLA-IBGZPJMESA-N 2 1 404.530 1.951 20 0 HDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731842894 1075548078 /nfs/dbraw/zinc/54/80/78/1075548078.db2.gz JULWOZBGRFPUOV-FJSNCCPHSA-N 2 1 410.584 1.068 20 0 HDADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000731842894 1075548083 /nfs/dbraw/zinc/54/80/83/1075548083.db2.gz JULWOZBGRFPUOV-FJSNCCPHSA-N 2 1 410.584 1.068 20 0 HDADMP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446872209 1075585581 /nfs/dbraw/zinc/58/55/81/1075585581.db2.gz KGQFYASWDUWNLN-IBGZPJMESA-N 2 1 404.474 1.939 20 0 HDADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655053 /nfs/dbraw/zinc/65/50/53/1075655053.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 2 1 400.567 1.956 20 0 HDADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655054 /nfs/dbraw/zinc/65/50/54/1075655054.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 2 1 400.567 1.956 20 0 HDADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655056 /nfs/dbraw/zinc/65/50/56/1075655056.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 2 1 400.567 1.956 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000676740304 1075672264 /nfs/dbraw/zinc/67/22/64/1075672264.db2.gz UAPYBBZMRFMFSU-YSIASYRMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000676740304 1075672267 /nfs/dbraw/zinc/67/22/67/1075672267.db2.gz UAPYBBZMRFMFSU-YSIASYRMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676740304 1075672271 /nfs/dbraw/zinc/67/22/71/1075672271.db2.gz UAPYBBZMRFMFSU-YSIASYRMSA-N 2 1 416.566 1.239 20 0 HDADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676740304 1075672273 /nfs/dbraw/zinc/67/22/73/1075672273.db2.gz UAPYBBZMRFMFSU-YSIASYRMSA-N 2 1 416.566 1.239 20 0 HDADMP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000732246125 1075679788 /nfs/dbraw/zinc/67/97/88/1075679788.db2.gz NKWPDRZEVUYMBQ-CTNGQTDRSA-N 2 1 402.539 1.824 20 0 HDADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427017965 1075721711 /nfs/dbraw/zinc/72/17/11/1075721711.db2.gz WAXNJXWHOSOLSD-CALCHBBNSA-N 2 1 418.586 1.961 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000509442901 1075734415 /nfs/dbraw/zinc/73/44/15/1075734415.db2.gz VHPVKIQHQCBIJG-PMACEKPBSA-N 2 1 415.582 1.114 20 0 HDADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000509442901 1075734419 /nfs/dbraw/zinc/73/44/19/1075734419.db2.gz VHPVKIQHQCBIJG-PMACEKPBSA-N 2 1 415.582 1.114 20 0 HDADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126388 1075978817 /nfs/dbraw/zinc/97/88/17/1075978817.db2.gz YAYKDSSOYNZHAQ-GHTZIAJQSA-N 2 1 413.566 1.710 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCOCC23C[NH2+]C3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164401093 718860478 /nfs/dbraw/zinc/86/04/78/718860478.db2.gz BVDRZCSGZCPTEV-INIZCTEOSA-N 2 1 417.554 1.059 20 0 HDADMP CC(C)(C)C(=O)Nc1ccnc(N2CCOCC23C[NH2+]C3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164401093 718860479 /nfs/dbraw/zinc/86/04/79/718860479.db2.gz BVDRZCSGZCPTEV-INIZCTEOSA-N 2 1 417.554 1.059 20 0 HDADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)c2c1CC[NH2+]C2 ZINC001164679585 719639168 /nfs/dbraw/zinc/63/91/68/719639168.db2.gz ICPCYSMOOPUSDO-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)N3CCCC3)cn2)c2c1CC[NH2+]C2 ZINC001164679585 719639179 /nfs/dbraw/zinc/63/91/79/719639179.db2.gz ICPCYSMOOPUSDO-UHFFFAOYSA-N 2 1 418.567 1.538 20 0 HDADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(C3CC[NH2+]CC3)n1)CCC2 ZINC001164814498 720230191 /nfs/dbraw/zinc/23/01/91/720230191.db2.gz VVCJRGGBHCHSMB-UHFFFAOYSA-N 2 1 411.554 1.751 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164720682 720278439 /nfs/dbraw/zinc/27/84/39/720278439.db2.gz CETAEKRKMKPMAO-FQEVSTJZSA-N 2 1 407.946 1.046 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4c3CC[NH2+]C4)C2)C1 ZINC001164720682 720278450 /nfs/dbraw/zinc/27/84/50/720278450.db2.gz CETAEKRKMKPMAO-FQEVSTJZSA-N 2 1 407.946 1.046 20 0 HDADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164721957 720283256 /nfs/dbraw/zinc/28/32/56/720283256.db2.gz NSBWJVVADVKZQX-JOCHJYFZSA-N 2 1 401.555 1.342 20 0 HDADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164721957 720283278 /nfs/dbraw/zinc/28/32/78/720283278.db2.gz NSBWJVVADVKZQX-JOCHJYFZSA-N 2 1 401.555 1.342 20 0 HDADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739624 720663501 /nfs/dbraw/zinc/66/35/01/720663501.db2.gz OHGYRCVMOBFEPT-JKSUJKDBSA-N 2 1 415.929 1.729 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164854804 720846518 /nfs/dbraw/zinc/84/65/18/720846518.db2.gz SNMJATFDJDRUHZ-SJLPKXTDSA-N 2 1 409.962 1.771 20 0 HDADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164862881 720885516 /nfs/dbraw/zinc/88/55/16/720885516.db2.gz RRWXTGSOTMFDMF-RBUKOAKNSA-N 2 1 405.543 1.029 20 0 HDADMP CCc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762680 721165784 /nfs/dbraw/zinc/16/57/84/721165784.db2.gz DDIJPCANVWQKMH-RBUKOAKNSA-N 2 1 411.554 1.567 20 0 HDADMP CCc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164762680 721165791 /nfs/dbraw/zinc/16/57/91/721165791.db2.gz DDIJPCANVWQKMH-RBUKOAKNSA-N 2 1 411.554 1.567 20 0 HDADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164785757 721463144 /nfs/dbraw/zinc/46/31/44/721463144.db2.gz NIGCNFRWCGHRAM-FQEVSTJZSA-N 2 1 415.582 1.856 20 0 HDADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809391 721558360 /nfs/dbraw/zinc/55/83/60/721558360.db2.gz WVMTVHDANVJEQW-NNMXDRDESA-N 2 1 409.538 1.149 20 0 HDADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164809391 721558363 /nfs/dbraw/zinc/55/83/63/721558363.db2.gz WVMTVHDANVJEQW-NNMXDRDESA-N 2 1 409.538 1.149 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905409 721561394 /nfs/dbraw/zinc/56/13/94/721561394.db2.gz HGBFHVQMZIEMAK-UYAOXDASSA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905409 721561397 /nfs/dbraw/zinc/56/13/97/721561397.db2.gz HGBFHVQMZIEMAK-UYAOXDASSA-N 2 1 412.513 1.709 20 0 HDADMP C[NH+]1CCN(c2ccc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)nn2)CC1 ZINC001164797201 721597117 /nfs/dbraw/zinc/59/71/17/721597117.db2.gz FOHSSSMPGSXWRN-UHFFFAOYSA-N 2 1 407.497 1.908 20 0 HDADMP C[NH+]1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)n2)CC1 ZINC001164958168 722051250 /nfs/dbraw/zinc/05/12/50/722051250.db2.gz DFSSBQAKHNYDMI-WAOWUJCRSA-N 2 1 409.538 1.529 20 0 HDADMP c1cc(C[N@H+]2CCOCC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)ccn1 ZINC001164963999 722056652 /nfs/dbraw/zinc/05/66/52/722056652.db2.gz QPQQICKHTVVJAG-UHFFFAOYSA-N 2 1 423.565 1.400 20 0 HDADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429056201 1073484698 /nfs/dbraw/zinc/48/46/98/1073484698.db2.gz YWOQZYGJPGSMJP-HXUWFJFHSA-N 2 1 402.539 1.747 20 0 HDADMP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000673774149 1073707727 /nfs/dbraw/zinc/70/77/27/1073707727.db2.gz SEMYARJJPAXGLY-IBGZPJMESA-N 2 1 415.582 1.845 20 0 HDADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000673774149 1073707734 /nfs/dbraw/zinc/70/77/34/1073707734.db2.gz SEMYARJJPAXGLY-IBGZPJMESA-N 2 1 415.582 1.845 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000501238172 1073765971 /nfs/dbraw/zinc/76/59/71/1073765971.db2.gz RIMFQJQFWIWRAJ-KRWDZBQOSA-N 2 1 417.554 1.249 20 0 HDADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000674308548 1074267399 /nfs/dbraw/zinc/26/73/99/1074267399.db2.gz BNLQHNARLLSSNZ-UHFFFAOYSA-N 2 1 416.632 1.359 20 0 HDADMP COCCn1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000674308692 1074267517 /nfs/dbraw/zinc/26/75/17/1074267517.db2.gz RURWZEUAPMHHHX-UHFFFAOYSA-N 2 1 418.582 1.763 20 0 HDADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)cc(OC)c1 ZINC000674853363 1074592419 /nfs/dbraw/zinc/59/24/19/1074592419.db2.gz JXOCUPWUYBHHTH-QGZVFWFLSA-N 2 1 416.526 1.858 20 0 HDADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)cc(OC)c1 ZINC000674853363 1074592427 /nfs/dbraw/zinc/59/24/27/1074592427.db2.gz JXOCUPWUYBHHTH-QGZVFWFLSA-N 2 1 416.526 1.858 20 0 HDADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000675086241 1074701749 /nfs/dbraw/zinc/70/17/49/1074701749.db2.gz UTFBTGAGZYMLAG-WIYYLYMNSA-N 2 1 420.598 1.467 20 0 HDADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000477099819 1074790435 /nfs/dbraw/zinc/79/04/35/1074790435.db2.gz LVXGOTUAMLHFRS-HNNXBMFYSA-N 2 1 407.559 1.466 20 0 HDADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000477103207 1074801039 /nfs/dbraw/zinc/80/10/39/1074801039.db2.gz UYDWTBRPZBTUDH-QUCCMNQESA-N 2 1 404.555 1.240 20 0 HDADMP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675566672 1075217581 /nfs/dbraw/zinc/21/75/81/1075217581.db2.gz PCEBYNLXTRTEBH-SFHVURJKSA-N 2 1 422.595 1.439 20 0 HDADMP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)o1 ZINC000675787016 1075271884 /nfs/dbraw/zinc/27/18/84/1075271884.db2.gz QLNWRPFZSYULJE-HDICACEKSA-N 2 1 400.523 1.708 20 0 HDADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)o1 ZINC000675787016 1075271885 /nfs/dbraw/zinc/27/18/85/1075271885.db2.gz QLNWRPFZSYULJE-HDICACEKSA-N 2 1 400.523 1.708 20 0 HDADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)o1 ZINC000675787016 1075271888 /nfs/dbraw/zinc/27/18/88/1075271888.db2.gz QLNWRPFZSYULJE-HDICACEKSA-N 2 1 400.523 1.708 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731474379 1075361196 /nfs/dbraw/zinc/36/11/96/1075361196.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474379 1075361201 /nfs/dbraw/zinc/36/12/01/1075361201.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 2 1 410.522 1.157 20 0 HDADMP Cc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[NH+](C)C2 ZINC000731474379 1075361207 /nfs/dbraw/zinc/36/12/07/1075361207.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 2 1 410.522 1.157 20 0 HDADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000676099757 1075364955 /nfs/dbraw/zinc/36/49/55/1075364955.db2.gz WOIPDRIYAVFJGO-HKUYNNGSSA-N 2 1 412.538 1.553 20 0 HDADMP CC[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000676089862 1075372130 /nfs/dbraw/zinc/37/21/30/1075372130.db2.gz KAYXNDVBELNYQF-HXUWFJFHSA-N 2 1 412.538 1.336 20 0 HDADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731615619 1075413865 /nfs/dbraw/zinc/41/38/65/1075413865.db2.gz BTAPPERZKIJUKX-UHFFFAOYSA-N 2 1 409.490 1.978 20 0 HDADMP O=C(N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676186141 1075425487 /nfs/dbraw/zinc/42/54/87/1075425487.db2.gz GJSKWTUSDJOAGX-GGAORHGYSA-N 2 1 401.551 1.727 20 0 HDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702066 1075652192 /nfs/dbraw/zinc/65/21/92/1075652192.db2.gz PKWCJUQNEWZAIU-JTHBVZDNSA-N 2 1 413.610 1.604 20 0 HDADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000676702066 1075652195 /nfs/dbraw/zinc/65/21/95/1075652195.db2.gz PKWCJUQNEWZAIU-JTHBVZDNSA-N 2 1 413.610 1.604 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)[C@H]1CC[NH+](C2CC2)C1 ZINC000732188915 1075654513 /nfs/dbraw/zinc/65/45/13/1075654513.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732188915 1075654515 /nfs/dbraw/zinc/65/45/15/1075654515.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 2 1 411.550 1.699 20 0 HDADMP CN(CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732188915 1075654518 /nfs/dbraw/zinc/65/45/18/1075654518.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 2 1 411.550 1.699 20 0 HDADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307097 1075694721 /nfs/dbraw/zinc/69/47/21/1075694721.db2.gz CFRLSFQULZZTFA-QUCCMNQESA-N 2 1 416.566 1.923 20 0 HDADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000533324803 1075731351 /nfs/dbraw/zinc/73/13/51/1075731351.db2.gz OETPHGPMGSCDMZ-IHWFROFDSA-N 2 1 424.549 1.695 20 0 HDADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@H+]1Cc1ccccc1 ZINC000466709567 1075814770 /nfs/dbraw/zinc/81/47/70/1075814770.db2.gz DWAXOMJIOMMXAM-WMZOPIPTSA-N 2 1 404.474 1.985 20 0 HDADMP CCOC(=O)COc1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000611211209 1075874845 /nfs/dbraw/zinc/87/48/45/1075874845.db2.gz UDRWKOYTMMDVGQ-KNQAVFIVSA-N 2 1 419.566 1.965 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000495127392 1076005735 /nfs/dbraw/zinc/00/57/35/1076005735.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495127392 1076005742 /nfs/dbraw/zinc/00/57/42/1076005742.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 2 1 413.566 1.195 20 0 HDADMP Cc1cn(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495127392 1076005752 /nfs/dbraw/zinc/00/57/52/1076005752.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 2 1 413.566 1.195 20 0 HDADMP CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@H]3CC[N@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528422 1076236484 /nfs/dbraw/zinc/23/64/84/1076236484.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@H]3CC[N@@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528422 1076236492 /nfs/dbraw/zinc/23/64/92/1076236492.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 2 1 400.575 1.831 20 0 HDADMP CC(C)[NH+]1CC[C@H](CNc2cc(=NC[C@H]3CC[N@H+](C(C)C)C3)nc3nc[nH]n32)C1 ZINC000530528422 1076236495 /nfs/dbraw/zinc/23/64/95/1076236495.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 2 1 400.575 1.831 20 0 HDADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950523 1076700488 /nfs/dbraw/zinc/70/04/88/1076700488.db2.gz PQRYMRGBKSANDU-PMACEKPBSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950523 1076700493 /nfs/dbraw/zinc/70/04/93/1076700493.db2.gz PQRYMRGBKSANDU-PMACEKPBSA-N 2 1 417.623 1.832 20 0 HDADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950523 1076700499 /nfs/dbraw/zinc/70/04/99/1076700499.db2.gz PQRYMRGBKSANDU-PMACEKPBSA-N 2 1 417.623 1.832 20 0 HDADMP