smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc2[nH+]ccc(N3CCO[C@H](C[NH+](C)C)C3)c2cc1OCC ZINC000112333090 508175643 /nfs/dbraw/zinc/17/56/43/508175643.db2.gz ITIGSCCFLUCUTO-OAHLLOKOSA-N 2 0 359.470 2.799 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113584365 508273984 /nfs/dbraw/zinc/27/39/84/508273984.db2.gz AORPKJNQHMGBHP-FXAWDEMLSA-N 2 0 358.530 2.907 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113589053 508274756 /nfs/dbraw/zinc/27/47/56/508274756.db2.gz ZSVVSWJZZZUFTQ-FXAWDEMLSA-N 2 0 358.530 2.905 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127313095 508431373 /nfs/dbraw/zinc/43/13/73/508431373.db2.gz XIIQZFCQPXMYPR-SFHVURJKSA-N 2 0 360.502 2.719 10 0 FFAERP CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000119477208 508803854 /nfs/dbraw/zinc/80/38/54/508803854.db2.gz MMTAXEMQIIIJNE-OALUTQOASA-N 2 0 374.529 2.522 10 0 FFAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000155226054 508952368 /nfs/dbraw/zinc/95/23/68/508952368.db2.gz XYSHBLFMWCSPOM-MSOLQXFVSA-N 2 0 361.461 2.799 10 0 FFAERP COc1cc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270861 508990272 /nfs/dbraw/zinc/99/02/72/508990272.db2.gz YWCKXQMBOJYGSU-HIFRSBDPSA-N 2 0 358.429 2.794 10 0 FFAERP CCCOc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247990347 509211837 /nfs/dbraw/zinc/21/18/37/509211837.db2.gz JHRGFCAQKNEKDB-AZUAARDMSA-N 2 0 359.514 2.508 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175953815 509234858 /nfs/dbraw/zinc/23/48/58/509234858.db2.gz KWBBOEODQJEQHF-LJQANCHMSA-N 2 0 358.530 2.777 10 0 FFAERP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000192061204 509326584 /nfs/dbraw/zinc/32/65/84/509326584.db2.gz CKLXVGSEOGEFOV-SCTDSRPQSA-N 2 0 364.530 2.684 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000176271154 509413317 /nfs/dbraw/zinc/41/33/17/509413317.db2.gz YIPXDUFFFJLFLS-IBGZPJMESA-N 2 0 373.545 2.695 10 0 FFAERP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000248810684 509493049 /nfs/dbraw/zinc/49/30/49/509493049.db2.gz CKLXVGSEOGEFOV-ZHALLVOQSA-N 2 0 364.530 2.684 10 0 FFAERP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000183272033 509690304 /nfs/dbraw/zinc/69/03/04/509690304.db2.gz SSNDZIQVPVSNCF-RTWAWAEBSA-N 2 0 368.525 2.906 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180094642 509749155 /nfs/dbraw/zinc/74/91/55/509749155.db2.gz LYNIMMABSGLCCS-OAHLLOKOSA-N 2 0 362.543 2.673 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180094855 509749317 /nfs/dbraw/zinc/74/93/17/509749317.db2.gz QODOKEUTYQBZAP-QGZVFWFLSA-N 2 0 356.514 2.612 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000249759874 509756440 /nfs/dbraw/zinc/75/64/40/509756440.db2.gz KMMGHDYMNLVTDU-IEBWSBKVSA-N 2 0 374.529 2.616 10 0 FFAERP C[C@H](C(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000251709030 509817602 /nfs/dbraw/zinc/81/76/02/509817602.db2.gz KESPZJYIYUGPAM-AJYBTWMASA-N 2 0 358.530 2.623 10 0 FFAERP C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000251709034 509818636 /nfs/dbraw/zinc/81/86/36/509818636.db2.gz KESPZJYIYUGPAM-DMUMMCEESA-N 2 0 358.530 2.623 10 0 FFAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245697034 510092279 /nfs/dbraw/zinc/09/22/79/510092279.db2.gz BESAEFUSHNHVMO-UGKGYDQZSA-N 2 0 355.526 2.972 10 0 FFAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246042502 510260312 /nfs/dbraw/zinc/26/03/12/510260312.db2.gz YLKKXOUNKGNLGE-FXAWDEMLSA-N 2 0 358.530 2.907 10 0 FFAERP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000171907009 510444131 /nfs/dbraw/zinc/44/41/31/510444131.db2.gz MITNTWZVDCBLJS-OAQYLSRUSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246374529 510453766 /nfs/dbraw/zinc/45/37/66/510453766.db2.gz AMWMWYHSXROIIQ-SXLOBPIMSA-N 2 0 358.530 2.823 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246461642 510502537 /nfs/dbraw/zinc/50/25/37/510502537.db2.gz JOHHKXTZFMRJMQ-MJGOQNOKSA-N 2 0 350.551 2.623 10 0 FFAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246566504 510558383 /nfs/dbraw/zinc/55/83/83/510558383.db2.gz ZTRZBLWXNUOPDF-VQTJNVASSA-N 2 0 356.514 2.703 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000175559156 510679121 /nfs/dbraw/zinc/67/91/21/510679121.db2.gz ZXXVUFLSFWAREO-FQEVSTJZSA-N 2 0 372.488 2.860 10 0 FFAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000247101101 510834924 /nfs/dbraw/zinc/83/49/24/510834924.db2.gz FEBDPOOWJANOND-CEWLAPEOSA-N 2 0 372.557 2.919 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000247162357 510847362 /nfs/dbraw/zinc/84/73/62/510847362.db2.gz KKLOOHWLINARJE-PXNSSMCTSA-N 2 0 356.514 2.661 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000047832642 728038624 /nfs/dbraw/zinc/03/86/24/728038624.db2.gz ZXPHFUXVHAQCSR-IAGOWNOFSA-N 2 0 360.527 2.953 10 0 FFAERP C[N@@H+](Cc1cnc(N)s1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261882956 729654485 /nfs/dbraw/zinc/65/44/85/729654485.db2.gz RKJODHYUMCZCGX-GOSISDBHSA-N 2 0 360.527 2.603 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175531948 251223638 /nfs/dbraw/zinc/22/36/38/251223638.db2.gz BOXNYPHAYWWLGW-MOPGFXCFSA-N 2 0 355.486 2.668 10 0 FFAERP CCOc1cc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2cc1OCC ZINC000301662315 258061735 /nfs/dbraw/zinc/06/17/35/258061735.db2.gz NBEDTLZRUKXEDU-XLIONFOSSA-N 2 0 357.454 2.551 10 0 FFAERP NC(=[NH2+])c1ccc2[nH]c(CCCCc3nc4cc(C(N)=[NH2+])ccc4[nH]3)nc2c1 ZINC000005974296 506463775 /nfs/dbraw/zinc/46/37/75/506463775.db2.gz SNNSTIDDSQUDDO-UHFFFAOYSA-N 2 0 374.452 2.573 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000048216366 507481739 /nfs/dbraw/zinc/48/17/39/507481739.db2.gz ZTDMPYSQXVBIEY-NRFANRHFSA-N 2 0 366.509 2.647 10 0 FFAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000063463715 507733890 /nfs/dbraw/zinc/73/38/90/507733890.db2.gz MIIOGXWIGBLXLZ-NRFANRHFSA-N 2 0 370.541 2.967 10 0 FFAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000079284662 507950751 /nfs/dbraw/zinc/95/07/51/507950751.db2.gz FATOJWIEYXJQPJ-QZTJIDSGSA-N 2 0 350.551 2.624 10 0 FFAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105118760 508361909 /nfs/dbraw/zinc/36/19/09/508361909.db2.gz SKHXVZCJPAVORQ-HXUWFJFHSA-N 2 0 356.514 2.662 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105135146 508362295 /nfs/dbraw/zinc/36/22/95/508362295.db2.gz CYHZKPQTQGKUTQ-CEXWTWQISA-N 2 0 350.551 2.624 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000105222186 508366530 /nfs/dbraw/zinc/36/65/30/508366530.db2.gz LZAXWEDQPIEWEE-QZTJIDSGSA-N 2 0 360.502 2.605 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1cccc(F)c1 ZINC000106427431 508400745 /nfs/dbraw/zinc/40/07/45/508400745.db2.gz YRHRJWNCBSAYHV-PMACEKPBSA-N 2 0 357.473 2.718 10 0 FFAERP CCC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[NH+](C)C ZINC000124078411 508780752 /nfs/dbraw/zinc/78/07/52/508780752.db2.gz YIKHYJYDNFFDHV-FQEVSTJZSA-N 2 0 361.530 2.754 10 0 FFAERP Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000124480474 508838880 /nfs/dbraw/zinc/83/88/80/508838880.db2.gz VQXMEWRSDZYIBB-WMZOPIPTSA-N 2 0 362.518 2.786 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000150860234 508909890 /nfs/dbraw/zinc/90/98/90/508909890.db2.gz YUGCZKMUOWSYER-XLIONFOSSA-N 2 0 358.530 2.679 10 0 FFAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1OC(F)F ZINC000121112799 509131362 /nfs/dbraw/zinc/13/13/62/509131362.db2.gz CJNPGDXMNRGWFI-AWEZNQCLSA-N 2 0 372.456 2.821 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000126837032 509135915 /nfs/dbraw/zinc/13/59/15/509135915.db2.gz PNPSVQUWIJDXDO-IBGZPJMESA-N 2 0 362.493 2.698 10 0 FFAERP Cc1cc(=O)oc2cc(OCC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc12 ZINC000248215264 509261441 /nfs/dbraw/zinc/26/14/41/509261441.db2.gz ZNIBDQKECXVIOA-LPHOPBHVSA-N 2 0 356.466 2.896 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H]2CCCO[C@H]21 ZINC000248432903 509318570 /nfs/dbraw/zinc/31/85/70/509318570.db2.gz CUMJGCWKEUBHOM-XRXFAXGQSA-N 2 0 358.526 2.937 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000176151569 509348673 /nfs/dbraw/zinc/34/86/73/509348673.db2.gz DBWJPPLSEKELMA-MSOLQXFVSA-N 2 0 350.482 2.554 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000176274269 509415359 /nfs/dbraw/zinc/41/53/59/509415359.db2.gz HDBLBSAYONAIRV-GOSISDBHSA-N 2 0 373.545 2.777 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 ZINC000248905241 509538039 /nfs/dbraw/zinc/53/80/39/509538039.db2.gz UUVPKQXGNACHRH-YLJYHZDGSA-N 2 0 367.497 2.750 10 0 FFAERP CN(c1ccccc1CN1CCC[N@@H+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000179731307 509595588 /nfs/dbraw/zinc/59/55/88/509595588.db2.gz VWBDMVQBBTUWCH-UHFFFAOYSA-N 2 0 356.558 2.887 10 0 FFAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCOCC2 ZINC000186297604 509631233 /nfs/dbraw/zinc/63/12/33/509631233.db2.gz JZUWQUKPKXFFES-VQTJNVASSA-N 2 0 362.514 2.691 10 0 FFAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186360892 509669695 /nfs/dbraw/zinc/66/96/95/509669695.db2.gz RFJIZQSPOOSDKC-IBGZPJMESA-N 2 0 373.545 2.815 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000249808885 509766972 /nfs/dbraw/zinc/76/69/72/509766972.db2.gz XWEOZIVIBAIFHZ-JKSUJKDBSA-N 2 0 350.532 2.669 10 0 FFAERP CCn1ccnc1CN(C(=O)COC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261666478 510019761 /nfs/dbraw/zinc/01/97/61/510019761.db2.gz OLDOFYZVTXURJS-SFHVURJKSA-N 2 0 374.529 2.723 10 0 FFAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174410479 510101919 /nfs/dbraw/zinc/10/19/19/510101919.db2.gz NKCFOAIECDEXAH-RTWAWAEBSA-N 2 0 368.525 2.697 10 0 FFAERP COC(=O)c1coc(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000190466220 510147952 /nfs/dbraw/zinc/14/79/52/510147952.db2.gz QWXDPXNHJJRRKD-AWEZNQCLSA-N 2 0 363.483 2.785 10 0 FFAERP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171652748 510282717 /nfs/dbraw/zinc/28/27/17/510282717.db2.gz OJNJMGLUKBNMIP-LJQANCHMSA-N 2 0 352.482 2.749 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3)C2)[nH+]1 ZINC000246146358 510318689 /nfs/dbraw/zinc/31/86/89/510318689.db2.gz OUCRTNKREQZVFG-IEBWSBKVSA-N 2 0 352.482 2.829 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000246150626 510323619 /nfs/dbraw/zinc/32/36/19/510323619.db2.gz KFDGRMCKZVHCER-OTWHNJEPSA-N 2 0 350.551 2.909 10 0 FFAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171888155 510430894 /nfs/dbraw/zinc/43/08/94/510430894.db2.gz CNFYHFMGPWRYMZ-QGZVFWFLSA-N 2 0 360.502 2.719 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900389 510439276 /nfs/dbraw/zinc/43/92/76/510439276.db2.gz JRHUBVKLSLMFNB-GHTZIAJQSA-N 2 0 370.541 2.908 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000246410305 510473655 /nfs/dbraw/zinc/47/36/55/510473655.db2.gz RZLMZGBDQBOYFR-ROUUACIJSA-N 2 0 362.493 2.656 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000246493660 510520170 /nfs/dbraw/zinc/52/01/70/510520170.db2.gz SBLWMOIJOBMIRF-AZUAARDMSA-N 2 0 360.546 2.957 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246735390 510642941 /nfs/dbraw/zinc/64/29/41/510642941.db2.gz ATIQULXGNMDRMV-IEBWSBKVSA-N 2 0 352.567 2.772 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000191504271 510692329 /nfs/dbraw/zinc/69/23/29/510692329.db2.gz OPSYSKAGMVXPKB-HXUWFJFHSA-N 2 0 359.562 2.540 10 0 FFAERP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000175636136 510705050 /nfs/dbraw/zinc/70/50/50/510705050.db2.gz GDGUKYAUXBFGFC-QWFCFKBJSA-N 2 0 358.530 2.775 10 0 FFAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000175641790 510706666 /nfs/dbraw/zinc/70/66/66/510706666.db2.gz QNOVQBSEEWXPIO-AZUAARDMSA-N 2 0 358.530 2.777 10 0 FFAERP COc1ccccc1CN(C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246913399 510742005 /nfs/dbraw/zinc/74/20/05/510742005.db2.gz SCYPAZUOGOJGFP-PXNSSMCTSA-N 2 0 371.525 2.602 10 0 FFAERP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000247153300 510845781 /nfs/dbraw/zinc/84/57/81/510845781.db2.gz YOTJMNNQWOYODW-CVEARBPZSA-N 2 0 361.534 2.732 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000247544457 510865003 /nfs/dbraw/zinc/86/50/03/510865003.db2.gz YRYOLJGNSJOGSL-PXNSSMCTSA-N 2 0 356.514 2.529 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247582549 510866550 /nfs/dbraw/zinc/86/65/50/510866550.db2.gz YXDLLKSORGPRGX-YLJYHZDGSA-N 2 0 358.530 2.996 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000247656994 510868091 /nfs/dbraw/zinc/86/80/91/510868091.db2.gz YSLAPRCFHDOVHB-VQTJNVASSA-N 2 0 356.514 2.622 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076913 729108160 /nfs/dbraw/zinc/10/81/60/729108160.db2.gz IATNDWZIZBKJTB-HNNXBMFYSA-N 2 0 357.487 2.504 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000054763428 506616373 /nfs/dbraw/zinc/61/63/73/506616373.db2.gz BOGKUDVUQLNLRQ-HXUWFJFHSA-N 2 0 354.498 2.721 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067774002 507004955 /nfs/dbraw/zinc/00/49/55/507004955.db2.gz PZCBBVUZZJBJGT-HXUWFJFHSA-N 2 0 358.530 2.682 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000113576158 508273379 /nfs/dbraw/zinc/27/33/79/508273379.db2.gz PCGCWQWMPQXFHF-RLLQIKCJSA-N 2 0 356.514 2.702 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000106427443 508400733 /nfs/dbraw/zinc/40/07/33/508400733.db2.gz YRHRJWNCBSAYHV-WOJBJXKFSA-N 2 0 357.473 2.718 10 0 FFAERP CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000159082679 508790630 /nfs/dbraw/zinc/79/06/30/508790630.db2.gz OKFDOVUFUGXSAJ-JKSUJKDBSA-N 2 0 355.548 2.612 10 0 FFAERP Cc1ccccc1CCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000175905331 509208574 /nfs/dbraw/zinc/20/85/74/509208574.db2.gz XYRKGWRKPOUKBH-JOCHJYFZSA-N 2 0 359.558 2.654 10 0 FFAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000247991389 509211454 /nfs/dbraw/zinc/21/14/54/509211454.db2.gz JLOYGFIMHKGANZ-NYVOZVTQSA-N 3 0 359.558 2.752 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175953796 509234364 /nfs/dbraw/zinc/23/43/64/509234364.db2.gz KWBBOEODQJEQHF-IBGZPJMESA-N 2 0 358.530 2.777 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000192003552 509288510 /nfs/dbraw/zinc/28/85/10/509288510.db2.gz KPDGDNGBFJSNFJ-CQSZACIVSA-N 2 0 358.885 2.883 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@@H]2CCCO[C@H]21 ZINC000248432902 509318346 /nfs/dbraw/zinc/31/83/46/509318346.db2.gz CUMJGCWKEUBHOM-PLACYPQZSA-N 2 0 358.526 2.937 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176503406 509548392 /nfs/dbraw/zinc/54/83/92/509548392.db2.gz VZLNRJVTDVOWPX-IBGZPJMESA-N 2 0 350.551 2.909 10 0 FFAERP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248970054 509557732 /nfs/dbraw/zinc/55/77/32/509557732.db2.gz CLJXLUSTYPQSAT-KFKAGJAMSA-N 2 0 359.420 2.617 10 0 FFAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000248998359 509567296 /nfs/dbraw/zinc/56/72/96/509567296.db2.gz MNQJVJYFDUMTMN-VQTJNVASSA-N 2 0 358.530 2.633 10 0 FFAERP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCCC2)cc1 ZINC000170862382 509818332 /nfs/dbraw/zinc/81/83/32/509818332.db2.gz DICYSZMIDYLYDL-AZUAARDMSA-N 2 0 374.529 2.568 10 0 FFAERP CC(C)n1ncc2cc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cnc21 ZINC000170941667 509859928 /nfs/dbraw/zinc/85/99/28/509859928.db2.gz ZCSANQQLPAKZJU-MRXNPFEDSA-N 2 0 359.518 2.537 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000186972355 509980806 /nfs/dbraw/zinc/98/08/06/509980806.db2.gz ANYWUBRQLWQXJD-QFIPXVFZSA-N 2 0 359.558 2.736 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000186972338 509980880 /nfs/dbraw/zinc/98/08/80/509980880.db2.gz ANYWUBRQLWQXJD-JOCHJYFZSA-N 2 0 359.558 2.736 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000245678893 510079818 /nfs/dbraw/zinc/07/98/18/510079818.db2.gz GFMMHVMOBOXLBN-QRVBRYPASA-N 2 0 350.551 2.767 10 0 FFAERP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171611992 510251658 /nfs/dbraw/zinc/25/16/58/510251658.db2.gz DUYYIQVUWNOYGF-NRFANRHFSA-N 2 0 370.541 2.573 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccco1 ZINC000246350853 510441413 /nfs/dbraw/zinc/44/14/13/510441413.db2.gz HTHYGWCRKINHSY-IXDOHACOSA-N 2 0 350.507 2.690 10 0 FFAERP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000190973075 510443595 /nfs/dbraw/zinc/44/35/95/510443595.db2.gz WKUAJHCVYAXSMP-HXUWFJFHSA-N 2 0 371.529 2.568 10 0 FFAERP C[C@]1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000187970958 510526573 /nfs/dbraw/zinc/52/65/73/510526573.db2.gz JRWCTOYLQQUTCI-TZIWHRDSSA-N 2 0 356.514 2.531 10 0 FFAERP Cc1ccc(CCC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000181821376 510610718 /nfs/dbraw/zinc/61/07/18/510610718.db2.gz QFBJEPFFIUCZSU-QFIPXVFZSA-N 2 0 359.558 2.654 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000247294552 510855852 /nfs/dbraw/zinc/85/58/52/510855852.db2.gz KZHSRUMZPBCHEH-WIYYLYMNSA-N 2 0 372.557 2.927 10 0 FFAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634768290 523642748 /nfs/dbraw/zinc/64/27/48/523642748.db2.gz DNSYYBBZXSKYDD-XFMLVYLPSA-N 2 0 353.510 2.688 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305853 250144368 /nfs/dbraw/zinc/14/43/68/250144368.db2.gz LDJFZKQKWXYNRK-NRFANRHFSA-N 2 0 372.557 2.726 10 0 FFAERP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127056 250242026 /nfs/dbraw/zinc/24/20/26/250242026.db2.gz LPOADOGWENMWFJ-QFIPXVFZSA-N 2 0 370.541 2.914 10 0 FFAERP CC(C)[NH+]1C[C@@H](C)[C@@H](Nc2cc(N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ncn2)C1 ZINC000302267241 258097689 /nfs/dbraw/zinc/09/76/89/258097689.db2.gz GJYMLVLAGCFVBL-FZDBZEDMSA-N 2 0 360.550 2.758 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000052519280 507811879 /nfs/dbraw/zinc/81/18/79/507811879.db2.gz AMSWYCNHYZDMTQ-FQEVSTJZSA-N 2 0 358.530 2.956 10 0 FFAERP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000108747826 507916199 /nfs/dbraw/zinc/91/61/99/507916199.db2.gz AXSIQMMQVKNKRO-ICSRJNTNSA-N 2 0 360.546 2.581 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079167116 507939832 /nfs/dbraw/zinc/93/98/32/507939832.db2.gz NLJMCLDNDDHFFP-OAQYLSRUSA-N 2 0 374.573 2.969 10 0 FFAERP COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000076392299 508198911 /nfs/dbraw/zinc/19/89/11/508198911.db2.gz CMKZCLYNLBPXBP-MJGOQNOKSA-N 2 0 373.541 2.862 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113367171 508262123 /nfs/dbraw/zinc/26/21/23/508262123.db2.gz YRYOLJGNSJOGSL-FXAWDEMLSA-N 2 0 356.514 2.529 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113589867 508274544 /nfs/dbraw/zinc/27/45/44/508274544.db2.gz RXFYMTDJXWBAEP-PXNSSMCTSA-N 2 0 358.530 2.907 10 0 FFAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105068751 508359036 /nfs/dbraw/zinc/35/90/36/508359036.db2.gz LJVBLBPSXXDEDA-UXHICEINSA-N 2 0 356.514 2.703 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000106434396 508400778 /nfs/dbraw/zinc/40/07/78/508400778.db2.gz IDQQQOMSIWQWCZ-OALUTQOASA-N 2 0 357.498 2.952 10 0 FFAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248551445 509360327 /nfs/dbraw/zinc/36/03/27/509360327.db2.gz GUBYPBQRMOLBIU-LZLYRXPVSA-N 2 0 352.906 2.804 10 0 FFAERP C[C@@H]([NH2+][C@H](C)c1ccncc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000182873992 509469580 /nfs/dbraw/zinc/46/95/80/509469580.db2.gz ZWDMDNMIRFFJBH-QZTJIDSGSA-N 2 0 366.509 2.902 10 0 FFAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1C[NH+]1CCCCC1 ZINC000183196950 509652352 /nfs/dbraw/zinc/65/23/52/509652352.db2.gz BDPRNNPXORROSS-XLIONFOSSA-N 2 0 361.530 2.662 10 0 FFAERP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000173641984 509693145 /nfs/dbraw/zinc/69/31/45/509693145.db2.gz QDYXSSIQMDAPTB-GGPKGHCWSA-N 2 0 358.530 2.673 10 0 FFAERP CCCN(CCC[NH+](C)C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000189750785 509732733 /nfs/dbraw/zinc/73/27/33/509732733.db2.gz OWLMVYJRUUAEDF-UHFFFAOYSA-N 2 0 361.534 2.732 10 0 FFAERP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000170832450 509799512 /nfs/dbraw/zinc/79/95/12/509799512.db2.gz WBPGHGUEYJUHQI-MJGOQNOKSA-N 2 0 374.529 2.568 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000245413790 509915658 /nfs/dbraw/zinc/91/56/58/509915658.db2.gz CDSPZQCTQAPDHK-ZWKOTPCHSA-N 2 0 350.482 2.554 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000171164813 509980699 /nfs/dbraw/zinc/98/06/99/509980699.db2.gz BGVLSTXMBWOWLO-PMACEKPBSA-N 2 0 373.545 2.562 10 0 FFAERP C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180654267 510036798 /nfs/dbraw/zinc/03/67/98/510036798.db2.gz GVUSBLPFJUQLFH-HNNXBMFYSA-N 2 0 369.469 2.681 10 0 FFAERP Cc1nccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245641547 510057181 /nfs/dbraw/zinc/05/71/81/510057181.db2.gz KOUBFWSFTPDAPR-OALUTQOASA-N 2 0 355.486 2.716 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187220917 510133633 /nfs/dbraw/zinc/13/36/33/510133633.db2.gz UOGMJHFKGZIHFQ-KRWDZBQOSA-N 2 0 374.504 2.595 10 0 FFAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccncc3)CC2)cc1 ZINC000181594322 510491036 /nfs/dbraw/zinc/49/10/36/510491036.db2.gz HHEKVAFZBCMTMP-IBGZPJMESA-N 2 0 366.509 2.775 10 0 FFAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000188142813 510615635 /nfs/dbraw/zinc/61/56/35/510615635.db2.gz HUDKEXWEXQQFMB-YOEHRIQHSA-N 2 0 355.320 2.817 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000172248759 510625779 /nfs/dbraw/zinc/62/57/79/510625779.db2.gz MHKGLELHSQOGCR-FXAWDEMLSA-N 2 0 370.541 2.701 10 0 FFAERP COc1ccccc1CN(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246913389 510740391 /nfs/dbraw/zinc/74/03/91/510740391.db2.gz SCYPAZUOGOJGFP-FXAWDEMLSA-N 2 0 371.525 2.602 10 0 FFAERP COc1ccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246978507 510778897 /nfs/dbraw/zinc/77/88/97/510778897.db2.gz VSZCARCCHVHROB-OXJNMPFZSA-N 2 0 357.498 2.973 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247153992 510845860 /nfs/dbraw/zinc/84/58/60/510845860.db2.gz KEKHRXAHCMKRAP-HCXYKTFWSA-N 2 0 350.551 2.623 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000247243511 510854033 /nfs/dbraw/zinc/85/40/33/510854033.db2.gz NEOXTCXTLTUUQD-JXFKEZNVSA-N 2 0 374.504 2.668 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000247376524 510859072 /nfs/dbraw/zinc/85/90/72/510859072.db2.gz FTYIGDXFHWOSTK-IRXDYDNUSA-N 2 0 350.532 2.621 10 0 FFAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000262174669 729660612 /nfs/dbraw/zinc/66/06/12/729660612.db2.gz VPHVNLDBRZUNNH-IAQYHMDHSA-N 2 0 367.312 2.848 10 0 FFAERP COc1cc2c(cc1CC[NH+](C)C)[C@@H](c1cnc3ccccc3n1)[NH2+]CC2 ZINC000038805258 205043239 /nfs/dbraw/zinc/04/32/39/205043239.db2.gz FRNGHFYOEYUMRQ-QFIPXVFZSA-N 2 0 362.477 2.978 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000106424961 250269733 /nfs/dbraw/zinc/26/97/33/250269733.db2.gz TVCADCGZDIYNQG-QFIPXVFZSA-N 2 0 365.521 2.940 10 0 FFAERP CCOc1cc2[nH+]ccc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2cc1OCC ZINC000153170546 251110866 /nfs/dbraw/zinc/11/08/66/251110866.db2.gz NBEDTLZRUKXEDU-FXAWDEMLSA-N 2 0 357.454 2.551 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000054763426 506616354 /nfs/dbraw/zinc/61/63/54/506616354.db2.gz BOGKUDVUQLNLRQ-FQEVSTJZSA-N 2 0 354.498 2.721 10 0 FFAERP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4ccccc43)C[C@@H]2CCO)CC1 ZINC000022920157 507320181 /nfs/dbraw/zinc/32/01/81/507320181.db2.gz KSFXELLXEUJLHU-QFIPXVFZSA-N 2 0 367.537 2.803 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000052519281 507811901 /nfs/dbraw/zinc/81/19/01/507811901.db2.gz AMSWYCNHYZDMTQ-HXUWFJFHSA-N 2 0 358.530 2.956 10 0 FFAERP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000091232506 507972159 /nfs/dbraw/zinc/97/21/59/507972159.db2.gz IYKHAIDDEALAPE-UHFFFAOYSA-N 2 0 371.529 2.568 10 0 FFAERP C[C@@H](O)C1CC[NH+](Cc2ccccc2C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000111284363 508085927 /nfs/dbraw/zinc/08/59/27/508085927.db2.gz BNORYDKXURAUAV-HDICACEKSA-N 2 0 360.542 2.872 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000113583695 508274280 /nfs/dbraw/zinc/27/42/80/508274280.db2.gz AEVDJFPGJRWQLA-YLJYHZDGSA-N 2 0 356.514 2.661 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000104699338 508341735 /nfs/dbraw/zinc/34/17/35/508341735.db2.gz PHBKECVPZPJXOH-UNMCSNQZSA-N 2 0 373.541 2.590 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105112563 508361354 /nfs/dbraw/zinc/36/13/54/508361354.db2.gz JTVKQIKJOJIQPP-NRFANRHFSA-N 2 0 370.541 2.839 10 0 FFAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000105169965 508363855 /nfs/dbraw/zinc/36/38/55/508363855.db2.gz LDRAKZMHNQYHTB-UXHICEINSA-N 2 0 360.546 2.579 10 0 FFAERP Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000127735661 508492776 /nfs/dbraw/zinc/49/27/76/508492776.db2.gz DSPNDBCJQFDXIZ-UHFFFAOYSA-N 2 0 362.518 2.512 10 0 FFAERP CN(c1ccccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)C1CC[NH+](C)CC1 ZINC000128470380 508596837 /nfs/dbraw/zinc/59/68/37/508596837.db2.gz CRANSSYTIYOXDD-GOSISDBHSA-N 2 0 367.541 2.940 10 0 FFAERP C[C@@H](CCn1cccn1)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000157753542 508606946 /nfs/dbraw/zinc/60/69/46/508606946.db2.gz VMPMQPCMOGOKNZ-RXVVDRJESA-N 2 0 356.514 2.697 10 0 FFAERP CN(c1ccccc1C[N@@H+]1CCC[C@H](n2cncn2)C1)C1CC[NH+](C)CC1 ZINC000119514420 508810343 /nfs/dbraw/zinc/81/03/43/508810343.db2.gz GUOIUOKOXLXNHV-FQEVSTJZSA-N 2 0 368.529 2.646 10 0 FFAERP Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000154615889 508820334 /nfs/dbraw/zinc/82/03/34/508820334.db2.gz IVSRUMHHHHFBTA-KRWDZBQOSA-N 2 0 360.502 2.637 10 0 FFAERP CCOc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341852 509001830 /nfs/dbraw/zinc/00/18/30/509001830.db2.gz XZPTVIOXYBVDJZ-WMZOPIPTSA-N 2 0 350.503 2.981 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000121048400 509117443 /nfs/dbraw/zinc/11/74/43/509117443.db2.gz VOCRYJWISHDIQI-HXUWFJFHSA-N 2 0 351.579 2.930 10 0 FFAERP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121081561 509123600 /nfs/dbraw/zinc/12/36/00/509123600.db2.gz AJDSBOPZANUNOD-QGZVFWFLSA-N 2 0 356.514 2.910 10 0 FFAERP Cc1nn(C)cc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121159023 509141412 /nfs/dbraw/zinc/14/14/12/509141412.db2.gz YORVMIWZLJIIKF-NRFANRHFSA-N 2 0 356.514 2.606 10 0 FFAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248407650 509301214 /nfs/dbraw/zinc/30/12/14/509301214.db2.gz UPPYSALFIGHEPM-DNVJHFABSA-N 3 0 370.585 2.514 10 0 FFAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248407651 509301610 /nfs/dbraw/zinc/30/16/10/509301610.db2.gz UPPYSALFIGHEPM-YTFSRNRJSA-N 3 0 370.585 2.514 10 0 FFAERP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248410485 509304041 /nfs/dbraw/zinc/30/40/41/509304041.db2.gz XXUINEPLQRFTJG-NJDAHSKKSA-N 2 0 358.526 2.666 10 0 FFAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000248457702 509331523 /nfs/dbraw/zinc/33/15/23/509331523.db2.gz UARUVTHYFSVRJD-PLACYPQZSA-N 2 0 356.510 2.691 10 0 FFAERP CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248653345 509420153 /nfs/dbraw/zinc/42/01/53/509420153.db2.gz OQPDHGCOQCHYGV-QUCCMNQESA-N 2 0 360.546 2.728 10 0 FFAERP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179423168 509437233 /nfs/dbraw/zinc/43/72/33/509437233.db2.gz TYHQRJPYUSKIRI-OAHLLOKOSA-N 2 0 367.921 2.612 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179469915 509461982 /nfs/dbraw/zinc/46/19/82/509461982.db2.gz RPYLKNMKIIXINN-PMACEKPBSA-N 2 0 356.514 2.702 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000173472439 509622348 /nfs/dbraw/zinc/62/23/48/509622348.db2.gz BRBUXOPBUDGNEP-TZIWHRDSSA-N 2 0 370.541 2.527 10 0 FFAERP C[N@H+](CCCn1ccnc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000183175611 509641206 /nfs/dbraw/zinc/64/12/06/509641206.db2.gz RRDQWPTUZOWMEV-OAQYLSRUSA-N 2 0 356.514 2.651 10 0 FFAERP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000237663529 509704642 /nfs/dbraw/zinc/70/46/42/509704642.db2.gz VVCNBQBNHHAPSH-HDICACEKSA-N 2 0 353.551 2.634 10 0 FFAERP Cc1sc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1C ZINC000173682448 509719450 /nfs/dbraw/zinc/71/94/50/509719450.db2.gz XSRIGTNBNPFNDC-CYBMUJFWSA-N 2 0 367.559 2.636 10 0 FFAERP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170828724 509795725 /nfs/dbraw/zinc/79/57/25/509795725.db2.gz YPWCQDKUDZDQFP-FQEVSTJZSA-N 2 0 358.530 2.764 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170828781 509795927 /nfs/dbraw/zinc/79/59/27/509795927.db2.gz CBIPPSWZBTYTTD-PXNSSMCTSA-N 2 0 358.530 2.764 10 0 FFAERP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000170941838 509859467 /nfs/dbraw/zinc/85/94/67/509859467.db2.gz NHQOHMXQLNAGCW-SJLPKXTDSA-N 2 0 361.530 2.655 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000177350448 510009257 /nfs/dbraw/zinc/00/92/57/510009257.db2.gz HNYPVHQDVJLBIR-PMACEKPBSA-N 2 0 358.530 2.949 10 0 FFAERP CCn1ccnc1CN(C(=O)COC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261666477 510019338 /nfs/dbraw/zinc/01/93/38/510019338.db2.gz OLDOFYZVTXURJS-GOSISDBHSA-N 2 0 374.529 2.723 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000177446050 510062560 /nfs/dbraw/zinc/06/25/60/510062560.db2.gz KLJUFFMZKRTVIA-LJQANCHMSA-N 2 0 350.551 2.767 10 0 FFAERP CC[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C[C@H](C)O ZINC000245744200 510122176 /nfs/dbraw/zinc/12/21/76/510122176.db2.gz MLAOATKYFVVBMM-PZJWPPBQSA-N 2 0 361.574 2.922 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000245898265 510193885 /nfs/dbraw/zinc/19/38/85/510193885.db2.gz AHRYMDHPNMRRJF-HLIPFELVSA-N 2 0 373.545 2.635 10 0 FFAERP C[C@@H](c1cnccn1)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000184522302 510369353 /nfs/dbraw/zinc/36/93/53/510369353.db2.gz GDJYUGFTNZNAKE-UWJYYQICSA-N 2 0 354.498 2.915 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246238272 510383161 /nfs/dbraw/zinc/38/31/61/510383161.db2.gz NPCVQMDHPCEHLT-MJGOQNOKSA-N 2 0 373.545 2.679 10 0 FFAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000246270742 510399690 /nfs/dbraw/zinc/39/96/90/510399690.db2.gz IWVOEGAONWTEGN-WIYYLYMNSA-N 2 0 372.557 2.675 10 0 FFAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246412980 510475374 /nfs/dbraw/zinc/47/53/74/510475374.db2.gz LJVBLBPSXXDEDA-VQTJNVASSA-N 2 0 356.514 2.703 10 0 FFAERP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187976708 510530158 /nfs/dbraw/zinc/53/01/58/510530158.db2.gz UTNMQAAGJDOGGZ-FXAWDEMLSA-N 2 0 354.498 2.881 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000247529302 510864392 /nfs/dbraw/zinc/86/43/92/510864392.db2.gz XJTKTMSMRZLALC-HOJAQTOUSA-N 2 0 356.514 2.702 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)CCc3ccccc3)CC2)C1 ZINC000247587101 510866557 /nfs/dbraw/zinc/86/65/57/510866557.db2.gz JCRUMBFYNGGULE-IRLDBZIGSA-N 2 0 359.558 2.735 10 0 FFAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912651 514285691 /nfs/dbraw/zinc/28/56/91/514285691.db2.gz WLRATODPMNMCJR-ZIBCJSCZSA-N 2 0 355.526 2.888 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(F)c1 ZINC000888098956 734011434 /nfs/dbraw/zinc/01/14/34/734011434.db2.gz NYPLACAPVVOCEF-OONLHXPKSA-N 2 0 350.478 2.965 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000113226954 508252357 /nfs/dbraw/zinc/25/23/57/508252357.db2.gz ZHFYSWUMRLSNPL-YVWKXTFCSA-N 2 0 359.489 2.733 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000113589869 508274916 /nfs/dbraw/zinc/27/49/16/508274916.db2.gz RXFYMTDJXWBAEP-FXAWDEMLSA-N 2 0 358.530 2.907 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2Br)CC1 ZINC000106126626 508395986 /nfs/dbraw/zinc/39/59/86/508395986.db2.gz KAIXHNPFRBIAMM-AWEZNQCLSA-N 2 0 355.320 2.974 10 0 FFAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000156561332 508440718 /nfs/dbraw/zinc/44/07/18/508440718.db2.gz WRTQWRLTALXHHZ-HOJAQTOUSA-N 2 0 358.530 2.671 10 0 FFAERP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121087292 509125071 /nfs/dbraw/zinc/12/50/71/509125071.db2.gz ZOOPGOZXRPZRDC-KRWDZBQOSA-N 2 0 356.514 2.705 10 0 FFAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(Cl)c1OC ZINC000121107357 509129719 /nfs/dbraw/zinc/12/97/19/509129719.db2.gz YUEYIXYAKJZUNQ-AWEZNQCLSA-N 2 0 370.921 2.882 10 0 FFAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OC(F)F ZINC000121121423 509132694 /nfs/dbraw/zinc/13/26/94/509132694.db2.gz POZRKDASVLJGBJ-CQSZACIVSA-N 2 0 372.456 2.821 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000178929875 509188190 /nfs/dbraw/zinc/18/81/90/509188190.db2.gz XYVQVKSOTZHTAM-MSOLQXFVSA-N 2 0 362.518 2.836 10 0 FFAERP COC(=O)c1cc2cc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc2o1 ZINC000172792010 509237862 /nfs/dbraw/zinc/23/78/62/509237862.db2.gz OUGMYEAUFYHZIT-HNNXBMFYSA-N 2 0 374.481 2.744 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176172465 509360154 /nfs/dbraw/zinc/36/01/54/509360154.db2.gz WJILIHSCKMKQLG-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CCOCc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC ZINC000179515053 509489908 /nfs/dbraw/zinc/48/99/08/509489908.db2.gz FVWVBUWSDHWAOR-QGZVFWFLSA-N 2 0 364.530 2.756 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000173331872 509534980 /nfs/dbraw/zinc/53/49/80/509534980.db2.gz VQWINFZQDRIWAX-LEWJYISDSA-N 2 0 370.541 2.919 10 0 FFAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000250243875 509793566 /nfs/dbraw/zinc/79/35/66/509793566.db2.gz VFBJNRXQSGMOTF-QUCCMNQESA-N 2 0 359.489 2.734 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000173893593 509838413 /nfs/dbraw/zinc/83/84/13/509838413.db2.gz GFMMHVMOBOXLBN-IPMKNSEASA-N 2 0 350.551 2.767 10 0 FFAERP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000245386646 509889069 /nfs/dbraw/zinc/88/90/69/509889069.db2.gz PKYIJGUHSQWOLC-QEEYODRMSA-N 2 0 368.468 2.819 10 0 FFAERP CN(c1ccccc1CN1CC[N@@H+]2CCCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245557878 510004085 /nfs/dbraw/zinc/00/40/85/510004085.db2.gz KFGBJYPREOZFHU-NRFANRHFSA-N 2 0 356.558 2.887 10 0 FFAERP C=Cn1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000193903727 510122522 /nfs/dbraw/zinc/12/25/22/510122522.db2.gz AACISBKNJYOUBB-OAQYLSRUSA-N 2 0 354.498 2.861 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000190503633 510170499 /nfs/dbraw/zinc/17/04/99/510170499.db2.gz JQMWYUDSWWEHGY-LJQANCHMSA-N 2 0 367.578 2.990 10 0 FFAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181050682 510257158 /nfs/dbraw/zinc/25/71/58/510257158.db2.gz PPKNSSVQSOKKOS-GOSISDBHSA-N 2 0 358.530 2.777 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)[nH+]1 ZINC000171653408 510284017 /nfs/dbraw/zinc/28/40/17/510284017.db2.gz BGBSWVHZTCVTDZ-GOSISDBHSA-N 2 0 364.493 2.709 10 0 FFAERP CN(c1ccccc1C[NH2+][C@H]1Cc2ccccc2[C@H]1O)C1CC[NH+](C)CC1 ZINC000246281242 510404531 /nfs/dbraw/zinc/40/45/31/510404531.db2.gz AXMIKMXZHSKDKF-JTHBVZDNSA-N 2 0 365.521 2.965 10 0 FFAERP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900365 510437793 /nfs/dbraw/zinc/43/77/93/510437793.db2.gz GXVVZOZPSDRSRQ-NRFANRHFSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246374477 510453369 /nfs/dbraw/zinc/45/33/69/510453369.db2.gz AMWMWYHSXROIIQ-HOJAQTOUSA-N 2 0 358.530 2.823 10 0 FFAERP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178160115 510464724 /nfs/dbraw/zinc/46/47/24/510464724.db2.gz QPBRXAKKOCRHBO-MRXNPFEDSA-N 2 0 354.502 2.968 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000247220711 510853071 /nfs/dbraw/zinc/85/30/71/510853071.db2.gz MHKGLELHSQOGCR-PXNSSMCTSA-N 2 0 370.541 2.701 10 0 FFAERP [NH3+]C1CCC([NH2+]Cc2c(Br)cncc2Br)CC1 ZINC000394572322 512937599 /nfs/dbraw/zinc/93/75/99/512937599.db2.gz OOMMXCBVVITLLC-UHFFFAOYSA-N 2 0 363.097 2.966 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000047832638 728038702 /nfs/dbraw/zinc/03/87/02/728038702.db2.gz ZXPHFUXVHAQCSR-DLBZAZTESA-N 2 0 360.527 2.953 10 0 FFAERP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106126364 250241231 /nfs/dbraw/zinc/24/12/31/250241231.db2.gz ZKSBRJGWYBOJIK-HNNXBMFYSA-N 2 0 367.921 2.612 10 0 FFAERP CCC[NH+]1CCCN(c2nc(N3CCC[N@@H+](CCC)CC3)ncc2C)CC1 ZINC000301504565 258052862 /nfs/dbraw/zinc/05/28/62/258052862.db2.gz YZTZKZYGNJNHCW-UHFFFAOYSA-N 2 0 374.577 2.629 10 0 FFAERP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000107840701 507869636 /nfs/dbraw/zinc/86/96/36/507869636.db2.gz ORFHOEAMANDLKL-RBUKOAKNSA-N 2 0 350.551 2.767 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000113598119 508275284 /nfs/dbraw/zinc/27/52/84/508275284.db2.gz NEOXTCXTLTUUQD-OXQOHEQNSA-N 2 0 374.504 2.668 10 0 FFAERP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000113626074 508277610 /nfs/dbraw/zinc/27/76/10/508277610.db2.gz LGGNHERNUHHSLX-MJGOQNOKSA-N 2 0 358.530 2.996 10 0 FFAERP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105161573 508363915 /nfs/dbraw/zinc/36/39/15/508363915.db2.gz NPNCKGYFBHZKQX-HXUWFJFHSA-N 2 0 374.504 2.670 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000106434299 508400764 /nfs/dbraw/zinc/40/07/64/508400764.db2.gz YJIWOXQIOXKRHN-NHCUHLMSSA-N 2 0 353.510 2.887 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000134347318 508523212 /nfs/dbraw/zinc/52/32/12/508523212.db2.gz DIIWBQCLLQPOAO-RCCFBDPRSA-N 2 0 364.921 2.869 10 0 FFAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000158953331 508772618 /nfs/dbraw/zinc/77/26/18/508772618.db2.gz RYROKEYRECOTSG-FXAWDEMLSA-N 2 0 361.530 2.866 10 0 FFAERP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000192061217 509326900 /nfs/dbraw/zinc/32/69/00/509326900.db2.gz CKLXVGSEOGEFOV-LMMKCTJWSA-N 2 0 364.530 2.684 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000176129080 509336027 /nfs/dbraw/zinc/33/60/27/509336027.db2.gz XPNHBRRPHFKVRH-UXHICEINSA-N 2 0 358.530 2.949 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000179518026 509491641 /nfs/dbraw/zinc/49/16/41/509491641.db2.gz NYPHBGOMJWXBDC-INIZCTEOSA-N 2 0 360.477 2.536 10 0 FFAERP COC(=O)C1CCC([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000192442079 509518701 /nfs/dbraw/zinc/51/87/01/509518701.db2.gz YZPLAEDZPGNTKF-XVAXZDLZSA-N 2 0 374.525 2.753 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000176508247 509551394 /nfs/dbraw/zinc/55/13/94/509551394.db2.gz KZHSRUMZPBCHEH-RXVVDRJESA-N 2 0 372.557 2.927 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000173410176 509581272 /nfs/dbraw/zinc/58/12/72/509581272.db2.gz MSCMRPZASYVXDQ-GGPKGHCWSA-N 2 0 374.529 2.566 10 0 FFAERP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186254107 509605798 /nfs/dbraw/zinc/60/57/98/509605798.db2.gz BOXBUVNPCBNPNN-VQTJNVASSA-N 2 0 362.514 2.691 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760914 509609954 /nfs/dbraw/zinc/60/99/54/509609954.db2.gz UCYIUPDZTSCRGU-AZUAARDMSA-N 2 0 371.529 2.566 10 0 FFAERP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170828726 509795794 /nfs/dbraw/zinc/79/57/94/509795794.db2.gz YPWCQDKUDZDQFP-HXUWFJFHSA-N 2 0 358.530 2.764 10 0 FFAERP CCN(C(=O)N[C@@H]1CCC[NH+](CC)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000253573965 509898449 /nfs/dbraw/zinc/89/84/49/509898449.db2.gz ABLFJFHJNMRNQT-UXHICEINSA-N 2 0 358.530 2.777 10 0 FFAERP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000193634790 509998920 /nfs/dbraw/zinc/99/89/20/509998920.db2.gz BJMRMIXIVMACMZ-OYRHEFFESA-N 2 0 363.505 2.776 10 0 FFAERP C[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)C[C@H]1n1ccnc1 ZINC000245602287 510033528 /nfs/dbraw/zinc/03/35/28/510033528.db2.gz MPOHEDVEITYEJI-FXELSEDVSA-N 2 0 370.545 2.936 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000245658731 510067871 /nfs/dbraw/zinc/06/78/71/510067871.db2.gz CWVCTAJSIAVHFB-CEXWTWQISA-N 2 0 362.493 2.697 10 0 FFAERP C[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245736416 510115218 /nfs/dbraw/zinc/11/52/18/510115218.db2.gz UVGHCKDBIWZMPT-QAPCUYQASA-N 2 0 367.896 2.930 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000177527832 510116357 /nfs/dbraw/zinc/11/63/57/510116357.db2.gz CDSPZQCTQAPDHK-MSOLQXFVSA-N 2 0 350.482 2.554 10 0 FFAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738893 510117048 /nfs/dbraw/zinc/11/70/48/510117048.db2.gz VIEUZTRWBLFURH-KDOFPFPSSA-N 2 0 355.885 2.928 10 0 FFAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190561949 510208281 /nfs/dbraw/zinc/20/82/81/510208281.db2.gz PQYITHPXHYUEIC-IAGOWNOFSA-N 2 0 364.559 2.606 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000171900849 510439941 /nfs/dbraw/zinc/43/99/41/510439941.db2.gz FTYIGDXFHWOSTK-IAGOWNOFSA-N 2 0 350.532 2.621 10 0 FFAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000246355216 510443321 /nfs/dbraw/zinc/44/33/21/510443321.db2.gz PLSRFTUWXNDJPQ-WIYYLYMNSA-N 2 0 372.557 2.880 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000246411117 510473531 /nfs/dbraw/zinc/47/35/31/510473531.db2.gz SATAVXUYPWQQDY-XYJFISCASA-N 2 0 364.559 2.915 10 0 FFAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000181583847 510485601 /nfs/dbraw/zinc/48/56/01/510485601.db2.gz ZWABYPFHEHXTFZ-LJQANCHMSA-N 2 0 366.509 2.775 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000246974630 510777139 /nfs/dbraw/zinc/77/71/39/510777139.db2.gz DTKOMFTYPGGPHP-BRWVUGGUSA-N 2 0 362.543 2.763 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000247362913 510858560 /nfs/dbraw/zinc/85/85/60/510858560.db2.gz OREQSNKBYKDAOR-VQIMIIECSA-N 2 0 350.551 2.669 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)CC1CC[NH+](CCOC)CC1 ZINC000020878109 521653831 /nfs/dbraw/zinc/65/38/31/521653831.db2.gz CFWYRMLOYWBDOV-QFIPXVFZSA-N 2 0 374.573 2.726 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000193111700 729468448 /nfs/dbraw/zinc/46/84/48/729468448.db2.gz JLCMVPZLGPABPX-UONOGXRCSA-N 2 0 373.950 2.525 10 0 FFAERP Cc1nn(C)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127059 250241024 /nfs/dbraw/zinc/24/10/24/250241024.db2.gz LPOADOGWENMWFJ-JOCHJYFZSA-N 2 0 370.541 2.914 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000175545734 251225669 /nfs/dbraw/zinc/22/56/69/251225669.db2.gz PBGLTFKRDXOURU-HOTGVXAUSA-N 2 0 361.515 2.730 10 0 FFAERP O[C@@H](COc1ccccc1C[NH2+]CC1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012459174 506868772 /nfs/dbraw/zinc/86/87/72/506868772.db2.gz UNNQQUBVHBMITI-JOCHJYFZSA-N 2 0 366.505 2.984 10 0 FFAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107834568 507869399 /nfs/dbraw/zinc/86/93/99/507869399.db2.gz PAIXVRISLGQHSS-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107837734 507869512 /nfs/dbraw/zinc/86/95/12/507869512.db2.gz OWXYSDLDLIPOEH-LEWJYISDSA-N 2 0 372.557 2.819 10 0 FFAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000108472790 507896476 /nfs/dbraw/zinc/89/64/76/507896476.db2.gz ZRRNVARCCAMYBL-LJQANCHMSA-N 2 0 360.546 2.723 10 0 FFAERP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000113626077 508277778 /nfs/dbraw/zinc/27/77/78/508277778.db2.gz LGGNHERNUHHSLX-IEBWSBKVSA-N 2 0 358.530 2.996 10 0 FFAERP Cc1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000106434302 508400833 /nfs/dbraw/zinc/40/08/33/508400833.db2.gz YJIWOXQIOXKRHN-RTWAWAEBSA-N 2 0 353.510 2.887 10 0 FFAERP CC(=O)Oc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000125685414 509016785 /nfs/dbraw/zinc/01/67/85/509016785.db2.gz WROOVTFVAVZHFM-IAGOWNOFSA-N 2 0 360.498 2.933 10 0 FFAERP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121081722 509123168 /nfs/dbraw/zinc/12/31/68/509123168.db2.gz AJDSBOPZANUNOD-KRWDZBQOSA-N 2 0 356.514 2.910 10 0 FFAERP COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247953382 509197204 /nfs/dbraw/zinc/19/72/04/509197204.db2.gz FHAUKHIFYBEWID-XJKSGUPXSA-N 2 0 351.878 2.703 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000176142835 509343458 /nfs/dbraw/zinc/34/34/58/509343458.db2.gz SKFTUBBNKJFQEV-MSOLQXFVSA-N 2 0 362.518 2.932 10 0 FFAERP O[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048921 509583287 /nfs/dbraw/zinc/58/32/87/509583287.db2.gz WYXZXQXEYWMGDI-KJJMTIBFSA-N 2 0 357.542 2.618 10 0 FFAERP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170828734 509795828 /nfs/dbraw/zinc/79/58/28/509795828.db2.gz DIJBVKJTNIPPSX-HXUWFJFHSA-N 2 0 358.530 2.764 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180220664 509820247 /nfs/dbraw/zinc/82/02/47/509820247.db2.gz FCJOMXZSBAKWCX-OAQYLSRUSA-N 2 0 366.509 2.587 10 0 FFAERP C[C@@H]1C[N@@H+](CC2CCN(C[C@@H](O)c3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000245386282 509890008 /nfs/dbraw/zinc/89/00/08/509890008.db2.gz LZRRVJAPHZGYAB-QEEYODRMSA-N 2 0 368.468 2.819 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000245416146 509917861 /nfs/dbraw/zinc/91/78/61/509917861.db2.gz HNLDKLJYCBMYAT-QZTJIDSGSA-N 2 0 362.518 2.851 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177399411 510036470 /nfs/dbraw/zinc/03/64/70/510036470.db2.gz XTVXUYCBPOOVAW-UHFFFAOYSA-N 2 0 350.551 2.959 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000177400858 510037614 /nfs/dbraw/zinc/03/76/14/510037614.db2.gz FAEFAZZDASVOCI-CEXWTWQISA-N 2 0 352.567 2.870 10 0 FFAERP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C ZINC000245843867 510165693 /nfs/dbraw/zinc/16/56/93/510165693.db2.gz HWILLNZNAGOVQG-MJGOQNOKSA-N 2 0 353.470 2.585 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000246169200 510334512 /nfs/dbraw/zinc/33/45/12/510334512.db2.gz RWDYSTVCQXCOKS-RBUKOAKNSA-N 2 0 350.551 2.624 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)[nH+]1 ZINC000246206686 510362276 /nfs/dbraw/zinc/36/22/76/510362276.db2.gz YSQJPDRYZFDXEP-IAGOWNOFSA-N 2 0 356.514 2.913 10 0 FFAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000246325367 510427641 /nfs/dbraw/zinc/42/76/41/510427641.db2.gz CNZNMZHJPXWGMB-FUHWJXTLSA-N 2 0 355.486 2.744 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000246392186 510463815 /nfs/dbraw/zinc/46/38/15/510463815.db2.gz RCOUVOLLMRGQAA-IAGOWNOFSA-N 2 0 350.507 2.707 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000247316194 510856825 /nfs/dbraw/zinc/85/68/25/510856825.db2.gz OJTQFROSWZQEJO-HKUYNNGSSA-N 2 0 358.530 2.996 10 0 FFAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555980 510865664 /nfs/dbraw/zinc/86/56/64/510865664.db2.gz FOBNPPJJUHVSJW-APWZRJJASA-N 2 0 372.488 2.969 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)CCc3ccccc3)CC2)C1 ZINC000247586453 510866716 /nfs/dbraw/zinc/86/67/16/510866716.db2.gz JCRUMBFYNGGULE-IFMALSPDSA-N 2 0 359.558 2.735 10 0 FFAERP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C[NH+]3CCCC3)C2)n1 ZINC000328631941 511901052 /nfs/dbraw/zinc/90/10/52/511901052.db2.gz KZKLMPAGWCBNBO-MRXNPFEDSA-N 2 0 355.486 2.794 10 0 FFAERP C[C@@H](O)C1CC[NH+](Cc2ccc(C[NH+]3CCC([C@H](C)O)CC3)cc2)CC1 ZINC000111285461 508086629 /nfs/dbraw/zinc/08/66/29/508086629.db2.gz CSBMGMCLGRSSBB-HDICACEKSA-N 2 0 360.542 2.872 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000113625696 508277384 /nfs/dbraw/zinc/27/73/84/508277384.db2.gz IIXQXPXCFQYSGY-ZIFCJYIRSA-N 2 0 358.530 2.994 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000113625360 508277580 /nfs/dbraw/zinc/27/75/80/508277580.db2.gz OJTQFROSWZQEJO-PKOBYXMFSA-N 2 0 358.530 2.996 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127312876 508430965 /nfs/dbraw/zinc/43/09/65/508430965.db2.gz XIIQZFCQPXMYPR-GOSISDBHSA-N 2 0 360.502 2.719 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000157207273 508537535 /nfs/dbraw/zinc/53/75/35/508537535.db2.gz IVOIINGOTYMWHA-PXNSSMCTSA-N 2 0 358.530 2.810 10 0 FFAERP CCC[C@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[NH+](C)C ZINC000119126239 508731911 /nfs/dbraw/zinc/73/19/11/508731911.db2.gz OMWVQMKRHUAXFN-HXUWFJFHSA-N 2 0 358.530 2.887 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000159241290 508813079 /nfs/dbraw/zinc/81/30/79/508813079.db2.gz CQAVLIMDOUODBR-LJQANCHMSA-N 2 0 350.551 2.813 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000121048532 509118348 /nfs/dbraw/zinc/11/83/48/509118348.db2.gz VOCRYJWISHDIQI-FQEVSTJZSA-N 2 0 351.579 2.930 10 0 FFAERP CCC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[NH+](C)C ZINC000162139029 509173755 /nfs/dbraw/zinc/17/37/55/509173755.db2.gz ZAOYAJATPKJWHN-PKOBYXMFSA-N 2 0 361.530 2.733 10 0 FFAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000247874031 509182583 /nfs/dbraw/zinc/18/25/83/509182583.db2.gz YEQUUIHBEGZHOT-RTBURBONSA-N 2 0 373.497 2.669 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248399458 509294790 /nfs/dbraw/zinc/29/47/90/509294790.db2.gz JWWAYXLVVDGCTJ-AJYBTWMASA-N 2 0 362.562 2.908 10 0 FFAERP CC(C)n1ncc2cc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cnc21 ZINC000185891180 509410037 /nfs/dbraw/zinc/41/00/37/509410037.db2.gz ZMBMYJGYFWMFGC-UHFFFAOYSA-N 2 0 358.534 2.518 10 0 FFAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)[C@@H](C)C1 ZINC000248911475 509541500 /nfs/dbraw/zinc/54/15/00/509541500.db2.gz CDGAXSKTSGJGCV-HAGHYFMRSA-N 2 0 368.562 2.687 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000176515634 509554329 /nfs/dbraw/zinc/55/43/29/509554329.db2.gz OREQSNKBYKDAOR-APWZRJJASA-N 2 0 350.551 2.669 10 0 FFAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCOCC2 ZINC000186253944 509603654 /nfs/dbraw/zinc/60/36/54/509603654.db2.gz ZFWOBRCLEFCXQS-VQTJNVASSA-N 2 0 362.514 2.691 10 0 FFAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000245733741 510113692 /nfs/dbraw/zinc/11/36/92/510113692.db2.gz QQDBLNBPEFXKOR-PLACYPQZSA-N 2 0 372.509 2.694 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194041036 510189674 /nfs/dbraw/zinc/18/96/74/510189674.db2.gz WGBBBOQYQBIUOF-WOJBJXKFSA-N 2 0 360.546 2.784 10 0 FFAERP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171652753 510281943 /nfs/dbraw/zinc/28/19/43/510281943.db2.gz OJNJMGLUKBNMIP-IBGZPJMESA-N 2 0 352.482 2.749 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)[nH+]1 ZINC000171652648 510282075 /nfs/dbraw/zinc/28/20/75/510282075.db2.gz OUCRTNKREQZVFG-PKOBYXMFSA-N 2 0 352.482 2.829 10 0 FFAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171775354 510362891 /nfs/dbraw/zinc/36/28/91/510362891.db2.gz MNTZKELGHPAMIU-OTYNDTSQSA-N 2 0 368.525 2.672 10 0 FFAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000171828734 510396833 /nfs/dbraw/zinc/39/68/33/510396833.db2.gz IHLAJBHHGHEWKI-NRFANRHFSA-N 2 0 369.509 2.968 10 0 FFAERP C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630533 510511653 /nfs/dbraw/zinc/51/16/53/510511653.db2.gz AADXXBMCPYQGKO-HFSMHLIXSA-N 2 0 357.542 2.929 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246573038 510563105 /nfs/dbraw/zinc/56/31/05/510563105.db2.gz BYHYMTHMZANVMC-PMACEKPBSA-N 2 0 358.530 2.764 10 0 FFAERP NC(=[NH2+])NCCCCCCCCC[NH2+]CCCCCCCCNC(N)=[NH2+] ZINC000584604964 518414037 /nfs/dbraw/zinc/41/40/37/518414037.db2.gz QYTWVQZYOXBMBX-UHFFFAOYSA-N 3 0 369.602 2.613 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000634724012 523613427 /nfs/dbraw/zinc/61/34/27/523613427.db2.gz HUJOYMFGGAKJBU-MISYRCLQSA-N 2 0 358.482 2.515 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079621 729108215 /nfs/dbraw/zinc/10/82/15/729108215.db2.gz HNDTUBDHPLNYEX-OAHLLOKOSA-N 2 0 357.487 2.504 10 0 FFAERP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333849856 965377870 /nfs/dbraw/zinc/37/78/70/965377870.db2.gz NDXKQOIOAZVOLP-MJGOQNOKSA-N 2 0 353.466 2.850 10 0 FFAERP Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000092764608 250001146 /nfs/dbraw/zinc/00/11/46/250001146.db2.gz XBVYIVMUBYZLSN-IRXDYDNUSA-N 2 0 360.502 2.636 10 0 FFAERP CC1CC[NH+](CCCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000108470952 507896244 /nfs/dbraw/zinc/89/62/44/507896244.db2.gz XTFUMTVQJWBYEL-HXUWFJFHSA-N 2 0 360.546 2.581 10 0 FFAERP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000108566853 507904704 /nfs/dbraw/zinc/90/47/04/507904704.db2.gz LLUUUBGCXMCVQR-PMACEKPBSA-N 2 0 358.530 2.682 10 0 FFAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000081516679 508184714 /nfs/dbraw/zinc/18/47/14/508184714.db2.gz OSSHGPBLACVJSO-MJGOQNOKSA-N 2 0 354.922 2.881 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000106434399 508400695 /nfs/dbraw/zinc/40/06/95/508400695.db2.gz IDQQQOMSIWQWCZ-RBUKOAKNSA-N 2 0 357.498 2.952 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000156657977 508457693 /nfs/dbraw/zinc/45/76/93/508457693.db2.gz YFAOHHLUGGATRY-GOSISDBHSA-N 2 0 364.509 2.807 10 0 FFAERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)C2)CC1 ZINC000118834810 508682032 /nfs/dbraw/zinc/68/20/32/508682032.db2.gz DTGCUEBWLJANQM-LJQANCHMSA-N 2 0 369.509 2.622 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000121117997 509131986 /nfs/dbraw/zinc/13/19/86/509131986.db2.gz KJLRIAHYQHAKSS-OAHLLOKOSA-N 2 0 360.477 2.740 10 0 FFAERP O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399101 509293521 /nfs/dbraw/zinc/29/35/21/509293521.db2.gz JPLNTVCZHCQTBN-BXXSPATCSA-N 2 0 371.569 2.724 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000248486148 509340714 /nfs/dbraw/zinc/34/07/14/509340714.db2.gz KZOSATQTLBBOSF-QUCCMNQESA-N 2 0 355.526 2.984 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248754082 509471738 /nfs/dbraw/zinc/47/17/38/509471738.db2.gz PBPSNMYPZOSONQ-WOJBJXKFSA-N 2 0 358.530 2.634 10 0 FFAERP COc1cccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000237370147 509633243 /nfs/dbraw/zinc/63/32/43/509633243.db2.gz AHRCNEIQHNHHEX-FQEVSTJZSA-N 2 0 355.482 2.625 10 0 FFAERP C[C@@H]1C[NH+](CCC2CCN(C(=O)CCCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000237500728 509664242 /nfs/dbraw/zinc/66/42/42/509664242.db2.gz VVCNBQBNHHAPSH-QZTJIDSGSA-N 2 0 353.551 2.634 10 0 FFAERP COc1cc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)ccc1O ZINC000180129150 509768272 /nfs/dbraw/zinc/76/82/72/509768272.db2.gz GFRCWIDIEXTHKJ-OAQYLSRUSA-N 2 0 370.493 2.936 10 0 FFAERP C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000245593773 510026178 /nfs/dbraw/zinc/02/61/78/510026178.db2.gz LDGWAQZLQWICOW-LZQZEXGQSA-N 2 0 363.889 2.997 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000194132011 510228845 /nfs/dbraw/zinc/22/88/45/510228845.db2.gz ZSNCYGRJRRLOGF-QUCCMNQESA-N 2 0 374.529 2.616 10 0 FFAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190644052 510256442 /nfs/dbraw/zinc/25/64/42/510256442.db2.gz LRGYEQMSVWXTOI-FQEVSTJZSA-N 2 0 366.509 2.737 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000246044728 510262653 /nfs/dbraw/zinc/26/26/53/510262653.db2.gz ZASUJNVZDJNTSX-YLJYHZDGSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1cc(NC(=O)C2CC[NH2+]CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000262519246 510306316 /nfs/dbraw/zinc/30/63/16/510306316.db2.gz DLKHCQWWOXWLQS-LJQANCHMSA-N 2 0 367.497 2.577 10 0 FFAERP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177884812 510310115 /nfs/dbraw/zinc/31/01/15/510310115.db2.gz UBIMWJCQURPKFJ-RBBKRZOGSA-N 2 0 368.525 2.833 10 0 FFAERP CCN(C(=O)N[C@@H]1CCC[NH+](CC)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184607736 510413384 /nfs/dbraw/zinc/41/33/84/510413384.db2.gz ABLFJFHJNMRNQT-WOJBJXKFSA-N 2 0 358.530 2.777 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000246652507 510602498 /nfs/dbraw/zinc/60/24/98/510602498.db2.gz DEDVLTSQBRRZHI-BZUAXINKSA-N 2 0 350.532 2.619 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000246961683 510772083 /nfs/dbraw/zinc/77/20/83/510772083.db2.gz DKCMWIFHVXOVKQ-NQIIRXRSSA-N 2 0 370.541 2.777 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000247097862 510835038 /nfs/dbraw/zinc/83/50/38/510835038.db2.gz IIXQXPXCFQYSGY-LNLFQRSKSA-N 2 0 358.530 2.994 10 0 FFAERP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000247544822 510865136 /nfs/dbraw/zinc/86/51/36/510865136.db2.gz PLKFPIMYOSBTIR-IEBWSBKVSA-N 2 0 354.922 2.881 10 0 FFAERP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284976091 511953224 /nfs/dbraw/zinc/95/32/24/511953224.db2.gz XFXGFEHPMWLNCW-FUHIMQAGSA-N 2 0 356.518 2.601 10 0 FFAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000169789535 728983262 /nfs/dbraw/zinc/98/32/62/728983262.db2.gz BBGDRJHTFVHFOP-INIZCTEOSA-N 2 0 370.896 2.632 10 0 FFAERP COCCn1c(C)c(C)n(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1=S ZINC000176078434 729108255 /nfs/dbraw/zinc/10/82/55/729108255.db2.gz POZZAHIUAKMMPC-KRWDZBQOSA-N 2 0 363.531 2.909 10 0 FFAERP CCOCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1CC ZINC000181689407 729255318 /nfs/dbraw/zinc/25/53/18/729255318.db2.gz NTVUYGXXNAHERO-HXUWFJFHSA-N 2 0 351.510 2.690 10 0 FFAERP COc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000888097420 734011344 /nfs/dbraw/zinc/01/13/44/734011344.db2.gz ISDFOHVYTFBFOX-FPAYPSAMSA-N 2 0 352.906 2.918 10 0 FFAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000057204776 507204859 /nfs/dbraw/zinc/20/48/59/507204859.db2.gz SDJVCJTZURRTNC-RTWAWAEBSA-N 2 0 368.525 2.761 10 0 FFAERP COc1cccc([C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C)c1 ZINC000079222712 507946112 /nfs/dbraw/zinc/94/61/12/507946112.db2.gz BHGHIAXQUZEFET-HKUYNNGSSA-N 2 0 364.534 2.573 10 0 FFAERP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000076392310 508198865 /nfs/dbraw/zinc/19/88/65/508198865.db2.gz CMKZCLYNLBPXBP-IEBWSBKVSA-N 2 0 373.541 2.862 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000113592129 508274950 /nfs/dbraw/zinc/27/49/50/508274950.db2.gz XJTKTMSMRZLALC-RLLQIKCJSA-N 2 0 356.514 2.702 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCCc3cccs3)C2)[nH+]1 ZINC000114717243 508340532 /nfs/dbraw/zinc/34/05/32/508340532.db2.gz JEYSNVVZUNKVLT-IRXDYDNUSA-N 2 0 372.538 2.933 10 0 FFAERP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106125468 508395934 /nfs/dbraw/zinc/39/59/34/508395934.db2.gz BOXZIYKAEUVOSK-OAHLLOKOSA-N 2 0 367.921 2.612 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000106459526 508401059 /nfs/dbraw/zinc/40/10/59/508401059.db2.gz CBXUNNIDVBQHEU-VQTJNVASSA-N 2 0 357.473 2.718 10 0 FFAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000127311314 508430495 /nfs/dbraw/zinc/43/04/95/508430495.db2.gz RWMXTKMKFNMEJB-UHFFFAOYSA-N 2 0 364.578 2.726 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000142186970 508821878 /nfs/dbraw/zinc/82/18/78/508821878.db2.gz UHDHNRFEGBTIDS-QGZVFWFLSA-N 2 0 364.559 2.744 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000131176428 508895394 /nfs/dbraw/zinc/89/53/94/508895394.db2.gz FOYSPUYHBWHGPN-INIZCTEOSA-N 2 0 366.575 2.990 10 0 FFAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247959753 509198769 /nfs/dbraw/zinc/19/87/69/509198769.db2.gz GAVFMGZSUIFGSN-MCEIDBOGSA-N 3 0 359.558 2.750 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182847411 509457568 /nfs/dbraw/zinc/45/75/68/509457568.db2.gz JWWAYXLVVDGCTJ-JRBPQWBISA-N 2 0 362.562 2.908 10 0 FFAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccn1C ZINC000182862254 509463384 /nfs/dbraw/zinc/46/33/84/509463384.db2.gz OBJXLEYGIGIIDB-UXHICEINSA-N 2 0 356.514 2.906 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000173472449 509622436 /nfs/dbraw/zinc/62/24/36/509622436.db2.gz BRBUXOPBUDGNEP-PZJWPPBQSA-N 2 0 370.541 2.527 10 0 FFAERP Cc1sc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1C ZINC000173682461 509719359 /nfs/dbraw/zinc/71/93/59/509719359.db2.gz XSRIGTNBNPFNDC-ZDUSSCGKSA-N 2 0 367.559 2.636 10 0 FFAERP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000170833126 509800138 /nfs/dbraw/zinc/80/01/38/509800138.db2.gz STMMECQYAFLLAS-VQTJNVASSA-N 2 0 358.530 2.805 10 0 FFAERP C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245593761 510026043 /nfs/dbraw/zinc/02/60/43/510026043.db2.gz LDGWAQZLQWICOW-ATZDWAIDSA-N 2 0 363.889 2.997 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000177477960 510085083 /nfs/dbraw/zinc/08/50/83/510085083.db2.gz KCHZJJAJIRIKBJ-LEWJYISDSA-N 2 0 372.557 2.677 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000174389745 510090842 /nfs/dbraw/zinc/09/08/42/510090842.db2.gz VATMGIYIYVATEU-KURKYZTESA-N 2 0 362.518 2.931 10 0 FFAERP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000246071153 510274256 /nfs/dbraw/zinc/27/42/56/510274256.db2.gz BXEDEIRPSRRKOQ-NVXWUHKLSA-N 2 0 361.873 2.909 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n4cccc(C)c4n3)C2)[nH+]1 ZINC000171651968 510282146 /nfs/dbraw/zinc/28/21/46/510282146.db2.gz IJEWODUFZCFQDH-KRWDZBQOSA-N 2 0 363.465 2.640 10 0 FFAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000174765955 510300031 /nfs/dbraw/zinc/30/00/31/510300031.db2.gz HOHVWCUJZXPVSP-MRXNPFEDSA-N 2 0 354.454 2.853 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c2)CC1 ZINC000184925222 510589020 /nfs/dbraw/zinc/58/90/20/510589020.db2.gz ZFLOEIKNEJKQGB-PXNSSMCTSA-N 2 0 371.529 2.529 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000172248755 510625390 /nfs/dbraw/zinc/62/53/90/510625390.db2.gz MHKGLELHSQOGCR-YLJYHZDGSA-N 2 0 370.541 2.701 10 0 FFAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000191519145 510699316 /nfs/dbraw/zinc/69/93/16/510699316.db2.gz KDDHAFBJHKPNIW-YADHBBJMSA-N 2 0 359.558 2.991 10 0 FFAERP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246942362 510759113 /nfs/dbraw/zinc/75/91/13/510759113.db2.gz IXJCEPUSZWOUBL-JGLNRKDHSA-N 2 0 358.530 2.670 10 0 FFAERP C[NH+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107834572 507868946 /nfs/dbraw/zinc/86/89/46/507868946.db2.gz PAIXVRISLGQHSS-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847197 507870078 /nfs/dbraw/zinc/87/00/78/507870078.db2.gz LVZUEXHWNSOZIR-OALUTQOASA-N 2 0 350.551 2.767 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000073503495 507927222 /nfs/dbraw/zinc/92/72/22/507927222.db2.gz RCOUVOLLMRGQAA-IRXDYDNUSA-N 2 0 350.507 2.707 10 0 FFAERP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111631516 508111894 /nfs/dbraw/zinc/11/18/94/508111894.db2.gz HUDSDPPXSSUHDJ-GHTZIAJQSA-N 2 0 353.510 2.796 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105170070 508363738 /nfs/dbraw/zinc/36/37/38/508363738.db2.gz GLSPHGZOTPDKNN-LEWJYISDSA-N 2 0 372.557 2.819 10 0 FFAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000105169968 508364029 /nfs/dbraw/zinc/36/40/29/508364029.db2.gz LDRAKZMHNQYHTB-PMACEKPBSA-N 2 0 360.546 2.579 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000151059487 508948800 /nfs/dbraw/zinc/94/88/00/508948800.db2.gz NLYWDAYRTXVYJM-NJDAHSKKSA-N 2 0 351.579 2.930 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000132242564 509007082 /nfs/dbraw/zinc/00/70/82/509007082.db2.gz NUDCSBPNSUYPEJ-XLIONFOSSA-N 2 0 358.530 2.810 10 0 FFAERP CCC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[NH+](C)C ZINC000162138906 509173855 /nfs/dbraw/zinc/17/38/55/509173855.db2.gz ZAOYAJATPKJWHN-HKUYNNGSSA-N 2 0 361.530 2.733 10 0 FFAERP COc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247953378 509196831 /nfs/dbraw/zinc/19/68/31/509196831.db2.gz FHAUKHIFYBEWID-CZUORRHYSA-N 2 0 351.878 2.703 10 0 FFAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000247975468 509205592 /nfs/dbraw/zinc/20/55/92/509205592.db2.gz GHWNVIACZUULEA-OJAHFUOMSA-N 2 0 358.530 2.804 10 0 FFAERP CCCOc1cccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247990350 509211104 /nfs/dbraw/zinc/21/11/04/509211104.db2.gz JHRGFCAQKNEKDB-ICSRJNTNSA-N 2 0 359.514 2.508 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248080012 509232138 /nfs/dbraw/zinc/23/21/38/509232138.db2.gz RPYLKNMKIIXINN-VQTJNVASSA-N 2 0 356.514 2.702 10 0 FFAERP O[C@H](CN1CCC[C@@H](C(F)(F)F)C1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000248751139 509469605 /nfs/dbraw/zinc/46/96/05/509469605.db2.gz UHYOWMLUCCGHCM-CLLJXQQHSA-N 2 0 362.358 2.896 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000173373420 509560424 /nfs/dbraw/zinc/56/04/24/509560424.db2.gz DRQPYZDDDTUNEJ-IEBWSBKVSA-N 2 0 374.529 2.568 10 0 FFAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCOCC2 ZINC000186339647 509658123 /nfs/dbraw/zinc/65/81/23/509658123.db2.gz WFCYQOSNJRYYJV-RTBURBONSA-N 2 0 350.478 2.951 10 0 FFAERP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252353172 509833545 /nfs/dbraw/zinc/83/35/45/509833545.db2.gz SAXLWRZVPFKPBI-DLBZAZTESA-N 2 0 361.530 2.601 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180396573 509902226 /nfs/dbraw/zinc/90/22/26/509902226.db2.gz RGHDRENRIPWPKB-IBGZPJMESA-N 2 0 373.545 2.814 10 0 FFAERP COc1cc(Br)ccc1CCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652839 510005815 /nfs/dbraw/zinc/00/58/15/510005815.db2.gz ZPWAOIFALGUQFW-GASCZTMLSA-N 2 0 353.304 2.884 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177363192 510014211 /nfs/dbraw/zinc/01/42/11/510014211.db2.gz YGXHGEYOECAEGQ-NRFANRHFSA-N 2 0 372.557 2.819 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000245676922 510077793 /nfs/dbraw/zinc/07/77/93/510077793.db2.gz GALXNOZOOBHVLB-RTWAWAEBSA-N 2 0 370.541 2.703 10 0 FFAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245738899 510117204 /nfs/dbraw/zinc/11/72/04/510117204.db2.gz VIEUZTRWBLFURH-KSSFIOAISA-N 2 0 355.885 2.928 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)[nH+]1 ZINC000246010604 510249207 /nfs/dbraw/zinc/24/92/07/510249207.db2.gz HVGMRUDLSVXYOX-HKUYNNGSSA-N 2 0 350.466 2.929 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000246144541 510319976 /nfs/dbraw/zinc/31/99/76/510319976.db2.gz JTKGGMKEOUNOJQ-GUDVDZBRSA-N 2 0 362.493 2.697 10 0 FFAERP O[C@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207690 510363527 /nfs/dbraw/zinc/36/35/27/510363527.db2.gz ORNFRFVSKDUYCU-WMLDXEAASA-N 2 0 353.304 2.900 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000246236087 510381495 /nfs/dbraw/zinc/38/14/95/510381495.db2.gz NLYWDAYRTXVYJM-HKBOAZHASA-N 2 0 351.579 2.930 10 0 FFAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246303164 510416077 /nfs/dbraw/zinc/41/60/77/510416077.db2.gz VMLPEBGQBMPXLH-XLIONFOSSA-N 2 0 373.545 2.597 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000246511099 510529755 /nfs/dbraw/zinc/52/97/55/510529755.db2.gz UCYIUPDZTSCRGU-QUCCMNQESA-N 2 0 371.529 2.566 10 0 FFAERP Cc1ccc2c(c1)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@H](C)C2 ZINC000181677543 510535575 /nfs/dbraw/zinc/53/55/75/510535575.db2.gz GCEAANLZVFSYKK-OXQOHEQNSA-N 2 0 358.530 2.554 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246618987 510586017 /nfs/dbraw/zinc/58/60/17/510586017.db2.gz XOKCZWHWQQWKAJ-UKAVVXHISA-N 2 0 370.541 2.918 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000246824399 510695434 /nfs/dbraw/zinc/69/54/34/510695434.db2.gz WOZAKUYCKJGJAZ-HZPDHXFCSA-N 2 0 358.486 2.822 10 0 FFAERP C[C@H](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000175636154 510705682 /nfs/dbraw/zinc/70/56/82/510705682.db2.gz GDGUKYAUXBFGFC-WSTZPKSXSA-N 2 0 358.530 2.775 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000247084683 510829435 /nfs/dbraw/zinc/82/94/35/510829435.db2.gz JIRREELQALXAEE-NRSPTQNISA-N 2 0 372.557 2.879 10 0 FFAERP CCn1ccnc1CN(C(=O)c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165553 512798942 /nfs/dbraw/zinc/79/89/42/512798942.db2.gz WNLOMQWMTOAXEN-QGZVFWFLSA-N 2 0 356.445 2.827 10 0 FFAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912650 514286063 /nfs/dbraw/zinc/28/60/63/514286063.db2.gz WLRATODPMNMCJR-VMXMFDLUSA-N 2 0 355.526 2.888 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1Cn1nc2nc(C)cc(C)n2c1=S ZINC000176079644 729108239 /nfs/dbraw/zinc/10/82/39/729108239.db2.gz HNDTUBDHPLNYEX-HNNXBMFYSA-N 2 0 357.487 2.504 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000121084831 250660717 /nfs/dbraw/zinc/66/07/17/250660717.db2.gz XDTBNXCJBGGCEP-CYBMUJFWSA-N 2 0 360.420 2.952 10 0 FFAERP CCOc1cc2[nH+]ccc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2cc1OCC ZINC000301662312 258061683 /nfs/dbraw/zinc/06/16/83/258061683.db2.gz NBEDTLZRUKXEDU-PXNSSMCTSA-N 2 0 357.454 2.551 10 0 FFAERP c1ccc(-n2nnnc2Oc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)cc1 ZINC000013732605 506955949 /nfs/dbraw/zinc/95/59/49/506955949.db2.gz DAFGHGGOLUMCNE-UHFFFAOYSA-N 2 0 364.453 2.544 10 0 FFAERP C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089732722 507859980 /nfs/dbraw/zinc/85/99/80/507859980.db2.gz SBEYTFMQIKGMPR-IEBWSBKVSA-N 2 0 369.513 2.737 10 0 FFAERP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000107840703 507869575 /nfs/dbraw/zinc/86/95/75/507869575.db2.gz ORFHOEAMANDLKL-RTBURBONSA-N 2 0 350.551 2.767 10 0 FFAERP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000107840698 507869679 /nfs/dbraw/zinc/86/96/79/507869679.db2.gz ORFHOEAMANDLKL-MOPGFXCFSA-N 2 0 350.551 2.767 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000073653015 507942864 /nfs/dbraw/zinc/94/28/64/507942864.db2.gz LRNZKNITNDPHQC-AZUAARDMSA-N 2 0 360.546 2.880 10 0 FFAERP C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079496896 507968653 /nfs/dbraw/zinc/96/86/53/507968653.db2.gz OLSJIVURRQIELP-GOSISDBHSA-N 2 0 370.541 2.703 10 0 FFAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109949514 507997697 /nfs/dbraw/zinc/99/76/97/507997697.db2.gz OQKYZHODEMITBN-FQEVSTJZSA-N 2 0 372.557 2.579 10 0 FFAERP C[NH+](C)CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000112872667 508228628 /nfs/dbraw/zinc/22/86/28/508228628.db2.gz WZVUONKBGDHWRQ-FQEVSTJZSA-N 2 0 355.482 2.738 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000114717233 508341099 /nfs/dbraw/zinc/34/10/99/508341099.db2.gz YIUHJMLLWXDMOW-GOSISDBHSA-N 2 0 370.472 2.922 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106460079 508401123 /nfs/dbraw/zinc/40/11/23/508401123.db2.gz QHXAGJCEGBJNEJ-OAQYLSRUSA-N 2 0 353.510 2.927 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000152398047 508438498 /nfs/dbraw/zinc/43/84/98/508438498.db2.gz JZURGNWJDCZCMG-QGZVFWFLSA-N 2 0 366.575 2.942 10 0 FFAERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)C2)CC1 ZINC000118834811 508681713 /nfs/dbraw/zinc/68/17/13/508681713.db2.gz DTGCUEBWLJANQM-IBGZPJMESA-N 2 0 369.509 2.622 10 0 FFAERP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000158953469 508772925 /nfs/dbraw/zinc/77/29/25/508772925.db2.gz RYROKEYRECOTSG-PXNSSMCTSA-N 2 0 361.530 2.866 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000150860257 508909874 /nfs/dbraw/zinc/90/98/74/508909874.db2.gz YUGCZKMUOWSYER-PXNSSMCTSA-N 2 0 358.530 2.679 10 0 FFAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000151900240 509106592 /nfs/dbraw/zinc/10/65/92/509106592.db2.gz LCEMVKPETPMZPP-RTWAWAEBSA-N 2 0 356.514 2.906 10 0 FFAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247959754 509200055 /nfs/dbraw/zinc/20/00/55/509200055.db2.gz GAVFMGZSUIFGSN-RPHTVSPISA-N 3 0 359.558 2.750 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CCC(n3ccnc3)CC2)[C@H]1c1ccccc1 ZINC000248044221 509222742 /nfs/dbraw/zinc/22/27/42/509222742.db2.gz MQWSMKHPBXGOAA-RBUKOAKNSA-N 2 0 353.470 2.675 10 0 FFAERP COc1ccc(OC(F)F)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000179516504 509492195 /nfs/dbraw/zinc/49/21/95/509492195.db2.gz PGMRZJUYXIKUQF-CQSZACIVSA-N 2 0 372.456 2.821 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000176410505 509494410 /nfs/dbraw/zinc/49/44/10/509494410.db2.gz KEIGJKODWKKTJR-XLIONFOSSA-N 2 0 358.530 2.810 10 0 FFAERP C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000249105703 509606272 /nfs/dbraw/zinc/60/62/72/509606272.db2.gz QHIGHDAQJHBXSB-AZOIQLNYSA-N 2 0 365.468 2.552 10 0 FFAERP O=S1(=O)CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000186257543 509606944 /nfs/dbraw/zinc/60/69/44/509606944.db2.gz UOMWMSZOZREVJB-IBGZPJMESA-N 2 0 371.506 2.806 10 0 FFAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186360799 509669534 /nfs/dbraw/zinc/66/95/34/509669534.db2.gz XVCUFTULSNYARJ-IBGZPJMESA-N 2 0 373.545 2.958 10 0 FFAERP COc1cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)ccc1O ZINC000180129135 509768309 /nfs/dbraw/zinc/76/83/09/509768309.db2.gz GFRCWIDIEXTHKJ-NRFANRHFSA-N 2 0 370.493 2.936 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000170827006 509796760 /nfs/dbraw/zinc/79/67/60/509796760.db2.gz RTZCXHSWLTWHPF-SFHVURJKSA-N 2 0 364.921 2.650 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000173887869 509836115 /nfs/dbraw/zinc/83/61/15/509836115.db2.gz ALUHHGZUUDVIHI-RTBURBONSA-N 2 0 350.551 2.767 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)C1 ZINC000170941314 509860323 /nfs/dbraw/zinc/86/03/23/509860323.db2.gz JCRUMBFYNGGULE-RBBKRZOGSA-N 2 0 359.558 2.735 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000171164818 509981307 /nfs/dbraw/zinc/98/13/07/509981307.db2.gz BGVLSTXMBWOWLO-UXHICEINSA-N 2 0 373.545 2.562 10 0 FFAERP COc1ccc2nc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)sc2c1 ZINC000186975160 509982335 /nfs/dbraw/zinc/98/23/35/509982335.db2.gz JTMRTVSVCQCFJO-CQSZACIVSA-N 2 0 363.527 2.830 10 0 FFAERP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245562446 510008088 /nfs/dbraw/zinc/00/80/88/510008088.db2.gz CQVUXDOKIJZIQJ-FCHUYYIVSA-N 3 0 359.558 2.848 10 0 FFAERP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000190354360 510080740 /nfs/dbraw/zinc/08/07/40/510080740.db2.gz SWCQUHBGUATNMC-UHFFFAOYSA-N 2 0 367.578 2.990 10 0 FFAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245691684 510088443 /nfs/dbraw/zinc/08/84/43/510088443.db2.gz XICMIHFINYKNKB-SXLOBPIMSA-N 2 0 358.530 2.805 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000174449974 510120009 /nfs/dbraw/zinc/12/00/09/510120009.db2.gz GPPVXOFKRWZEMG-VQTJNVASSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C ZINC000245843864 510165564 /nfs/dbraw/zinc/16/55/64/510165564.db2.gz HWILLNZNAGOVQG-HKUYNNGSSA-N 2 0 353.470 2.585 10 0 FFAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000245927533 510211807 /nfs/dbraw/zinc/21/18/07/510211807.db2.gz HUTHUPXDSUJPOO-SFTDATJTSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000245941976 510220141 /nfs/dbraw/zinc/22/01/41/510220141.db2.gz JXGQEIIBJWLLEN-WOJBJXKFSA-N 2 0 358.530 2.764 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246248058 510388479 /nfs/dbraw/zinc/38/84/79/510388479.db2.gz DYQNWLLISACUCK-SCTDSRPQSA-N 2 0 350.551 2.621 10 0 FFAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000173501513 251195303 /nfs/dbraw/zinc/19/53/03/251195303.db2.gz UMVLQAXIYYHEFI-JFIYKMOQSA-N 2 0 362.543 2.621 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000012315363 207358929 /nfs/dbraw/zinc/35/89/29/207358929.db2.gz YEYYBWGPMJLNDA-FQEVSTJZSA-N 2 0 358.530 2.674 10 0 FFAERP C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000329100266 258129257 /nfs/dbraw/zinc/12/92/57/258129257.db2.gz MOIZJTKEKDLISL-INIZCTEOSA-N 2 0 368.481 2.582 10 0 FFAERP COc1cc(C[NH2+][C@@H](C)Cc2cc(C)n[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000055060505 506669860 /nfs/dbraw/zinc/66/98/60/506669860.db2.gz BDRXRTSZDZBFGL-INIZCTEOSA-N 2 0 372.513 2.922 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000068587638 507279387 /nfs/dbraw/zinc/27/93/87/507279387.db2.gz HVEYXEZYCZFNNI-INIZCTEOSA-N 2 0 368.472 2.522 10 0 FFAERP CCC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107842473 507869625 /nfs/dbraw/zinc/86/96/25/507869625.db2.gz KAMMVHKZYZWLQA-LJQANCHMSA-N 2 0 350.551 2.768 10 0 FFAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107837348 507869711 /nfs/dbraw/zinc/86/97/11/507869711.db2.gz DHXQCSNENBOSDP-GOSISDBHSA-N 2 0 350.551 2.909 10 0 FFAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc2)CC1 ZINC000074229874 508000700 /nfs/dbraw/zinc/00/07/00/508000700.db2.gz CJXZAPRJQMOCFU-IBGZPJMESA-N 2 0 360.546 2.535 10 0 FFAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103307164 508306216 /nfs/dbraw/zinc/30/62/16/508306216.db2.gz BNMKRQXEPYYUBA-SFTDATJTSA-N 2 0 374.573 2.827 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000106125264 508395943 /nfs/dbraw/zinc/39/59/43/508395943.db2.gz FEZMMLOGKHGBFS-OAHLLOKOSA-N 2 0 367.921 2.693 10 0 FFAERP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000106125048 508395997 /nfs/dbraw/zinc/39/59/97/508395997.db2.gz FLDLQAXOOJMAAH-MSOLQXFVSA-N 2 0 361.530 2.655 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000106126816 508396111 /nfs/dbraw/zinc/39/61/11/508396111.db2.gz GVKAZVGNDIOVQF-CABCVRRESA-N 2 0 367.921 2.692 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccco1 ZINC000119060073 508716363 /nfs/dbraw/zinc/71/63/63/508716363.db2.gz HTHYGWCRKINHSY-YESZJQIVSA-N 2 0 350.507 2.690 10 0 FFAERP CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000119477317 508804126 /nfs/dbraw/zinc/80/41/26/508804126.db2.gz MMTAXEMQIIIJNE-RBUKOAKNSA-N 2 0 374.529 2.522 10 0 FFAERP CCCn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121099972 509127999 /nfs/dbraw/zinc/12/79/99/509127999.db2.gz YIJDFQMOPGXYRN-KRWDZBQOSA-N 2 0 358.530 2.971 10 0 FFAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000247976738 509207798 /nfs/dbraw/zinc/20/77/98/509207798.db2.gz KZZVMDAKOFIRSR-QRQLOZEOSA-N 2 0 352.906 2.634 10 0 FFAERP Cc1ccccc1CCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000175905349 509209387 /nfs/dbraw/zinc/20/93/87/509209387.db2.gz XYRKGWRKPOUKBH-QFIPXVFZSA-N 2 0 359.558 2.654 10 0 FFAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248080016 509231655 /nfs/dbraw/zinc/23/16/55/509231655.db2.gz RPYLKNMKIIXINN-WOJBJXKFSA-N 2 0 356.514 2.702 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182468216 509253605 /nfs/dbraw/zinc/25/36/05/509253605.db2.gz YCWDXTPAIUXZRZ-RCCFBDPRSA-N 2 0 352.567 2.915 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000179608328 509533810 /nfs/dbraw/zinc/53/38/10/509533810.db2.gz QTGFVENMWDVEDB-AWEZNQCLSA-N 2 0 358.885 2.883 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)[nH+]1 ZINC000171649115 510277178 /nfs/dbraw/zinc/27/71/78/510277178.db2.gz YSQJPDRYZFDXEP-DLBZAZTESA-N 2 0 356.514 2.913 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459600 510279375 /nfs/dbraw/zinc/27/93/75/510279375.db2.gz NTJUXBWNWIIMAX-CVEARBPZSA-N 2 0 372.435 2.654 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171650978 510280437 /nfs/dbraw/zinc/28/04/37/510280437.db2.gz IFOCPQVYFQZKGG-FUHWJXTLSA-N 2 0 370.472 2.968 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246374505 510453646 /nfs/dbraw/zinc/45/36/46/510453646.db2.gz AMWMWYHSXROIIQ-IHPCNDPISA-N 2 0 358.530 2.823 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000246618985 510585165 /nfs/dbraw/zinc/58/51/65/510585165.db2.gz XOKCZWHWQQWKAJ-KOUHRCEDSA-N 2 0 370.541 2.918 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175381923 510618678 /nfs/dbraw/zinc/61/86/78/510618678.db2.gz NOZKJTZPQNJXJT-HXUWFJFHSA-N 2 0 358.530 2.777 10 0 FFAERP COc1cc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964861 510773429 /nfs/dbraw/zinc/77/34/29/510773429.db2.gz VDIHZCQYKFMGIA-YWZLYKJASA-N 2 0 373.497 2.591 10 0 FFAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000247555990 510865572 /nfs/dbraw/zinc/86/55/72/510865572.db2.gz FOBNPPJJUHVSJW-VQIMIIECSA-N 2 0 372.488 2.969 10 0 FFAERP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379671962 512870737 /nfs/dbraw/zinc/87/07/37/512870737.db2.gz MHQJVVRBNHQDGC-HXUWFJFHSA-N 2 0 351.494 2.972 10 0 FFAERP Nc1c(Br)cc(Br)cc1[C@H]([NH3+])CCCC[NH3+] ZINC000575438751 518221328 /nfs/dbraw/zinc/22/13/28/518221328.db2.gz HQQRZBSBOISVDU-SNVBAGLBSA-N 2 0 351.086 2.923 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107837730 507869541 /nfs/dbraw/zinc/86/95/41/507869541.db2.gz OWXYSDLDLIPOEH-SFTDATJTSA-N 2 0 372.557 2.819 10 0 FFAERP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106126216 508395929 /nfs/dbraw/zinc/39/59/29/508395929.db2.gz XGEPLQQQWBNDFU-KRWDZBQOSA-N 2 0 361.530 2.773 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000106430734 508400823 /nfs/dbraw/zinc/40/08/23/508400823.db2.gz IFPIEMWDFDGIMO-QFIPXVFZSA-N 2 0 365.521 2.724 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000133785428 508449110 /nfs/dbraw/zinc/44/91/10/508449110.db2.gz RCDXBJGQZIBABZ-DLBZAZTESA-N 2 0 361.534 2.637 10 0 FFAERP CCC[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](C)C ZINC000120264361 508960311 /nfs/dbraw/zinc/96/03/11/508960311.db2.gz ZWFVLJZNIBPYJG-MSOLQXFVSA-N 2 0 359.514 2.821 10 0 FFAERP CCOc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341917 509002356 /nfs/dbraw/zinc/00/23/56/509002356.db2.gz XZPTVIOXYBVDJZ-SJLPKXTDSA-N 2 0 350.503 2.981 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000132242783 509006728 /nfs/dbraw/zinc/00/67/28/509006728.db2.gz NUDCSBPNSUYPEJ-PXNSSMCTSA-N 2 0 358.530 2.810 10 0 FFAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000151908356 509108740 /nfs/dbraw/zinc/10/87/40/509108740.db2.gz JLOYGFIMHKGANZ-COPCDDAFSA-N 3 0 359.558 2.752 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000121149147 509139416 /nfs/dbraw/zinc/13/94/16/509139416.db2.gz KYNVWEOYQLSYHT-KRWDZBQOSA-N 2 0 370.497 2.794 10 0 FFAERP CCC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)[NH+](C)C ZINC000162371413 509209433 /nfs/dbraw/zinc/20/94/33/509209433.db2.gz MKTQZEYKIGLVPQ-GOSISDBHSA-N 2 0 362.518 2.506 10 0 FFAERP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC(F)(F)F ZINC000248392828 509289999 /nfs/dbraw/zinc/28/99/99/509289999.db2.gz DIAQSYONQYQFGS-IXDOHACOSA-N 2 0 369.431 2.555 10 0 FFAERP CC[C@H](C)NC(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248646470 509412542 /nfs/dbraw/zinc/41/25/42/509412542.db2.gz HNHPBFXTRPKVAA-IMJJTQAJSA-N 2 0 352.548 2.508 10 0 FFAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248752495 509469309 /nfs/dbraw/zinc/46/93/09/509469309.db2.gz CDEZEWKPGSDQAC-ADHNFCLRSA-N 3 0 370.585 2.798 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183057191 509570971 /nfs/dbraw/zinc/57/09/71/509570971.db2.gz VFVLDIMBYCONFS-QGZVFWFLSA-N 2 0 362.562 2.992 10 0 FFAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCOCC2 ZINC000186297652 509631211 /nfs/dbraw/zinc/63/12/11/509631211.db2.gz JZUWQUKPKXFFES-UXHICEINSA-N 2 0 362.514 2.691 10 0 FFAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1OC ZINC000183217891 509663073 /nfs/dbraw/zinc/66/30/73/509663073.db2.gz RRBYTAYVCVLTLY-CRAIPNDOSA-N 2 0 357.502 2.794 10 0 FFAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000186360877 509669012 /nfs/dbraw/zinc/66/90/12/509669012.db2.gz RFJIZQSPOOSDKC-LJQANCHMSA-N 2 0 373.545 2.815 10 0 FFAERP CC(C)n1ncc2cc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cnc21 ZINC000170941670 509859802 /nfs/dbraw/zinc/85/98/02/509859802.db2.gz ZCSANQQLPAKZJU-INIZCTEOSA-N 2 0 359.518 2.537 10 0 FFAERP C[N@@H+](Cc1ccnc(N)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193336926 509871767 /nfs/dbraw/zinc/87/17/67/509871767.db2.gz HCBUTHRWIQPKKQ-FQEVSTJZSA-N 2 0 354.498 2.541 10 0 FFAERP C[C@H]1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1ccnc1 ZINC000245567353 510012477 /nfs/dbraw/zinc/01/24/77/510012477.db2.gz FLIKFUANJLALCU-QWHCGFSZSA-N 2 0 362.503 2.554 10 0 FFAERP C[C@@H]1CCN(CC(=O)Nc2nnc(C(C)(C)C)s2)C[C@H]1n1ccnc1 ZINC000245567352 510012732 /nfs/dbraw/zinc/01/27/32/510012732.db2.gz FLIKFUANJLALCU-CHWSQXEVSA-N 2 0 362.503 2.554 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000245665204 510070850 /nfs/dbraw/zinc/07/08/50/510070850.db2.gz DRQPYZDDDTUNEJ-HKUYNNGSSA-N 2 0 374.529 2.568 10 0 FFAERP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000190349654 510079110 /nfs/dbraw/zinc/07/91/10/510079110.db2.gz MXZZDWDFCOGSEV-KRWDZBQOSA-N 2 0 353.551 2.599 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@H]2CCCO[C@H]21 ZINC000245968388 510232909 /nfs/dbraw/zinc/23/29/09/510232909.db2.gz ZJBLSXTXBHKSPF-NJDAHSKKSA-N 2 0 358.526 2.937 10 0 FFAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000246044720 510262598 /nfs/dbraw/zinc/26/25/98/510262598.db2.gz ZASUJNVZDJNTSX-FXAWDEMLSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)[nH+]1 ZINC000171652642 510282427 /nfs/dbraw/zinc/28/24/27/510282427.db2.gz OUCRTNKREQZVFG-HKUYNNGSSA-N 2 0 352.482 2.829 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194270912 510287341 /nfs/dbraw/zinc/28/73/41/510287341.db2.gz AXYNTCZDRUHAGW-LEWJYISDSA-N 2 0 372.557 2.928 10 0 FFAERP C[C@H](c1cnccn1)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000184523062 510368673 /nfs/dbraw/zinc/36/86/73/510368673.db2.gz GDJYUGFTNZNAKE-UTKZUKDTSA-N 2 0 354.498 2.915 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194448181 510369914 /nfs/dbraw/zinc/36/99/14/510369914.db2.gz PBPSNMYPZOSONQ-PMACEKPBSA-N 2 0 358.530 2.634 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000175032094 510447949 /nfs/dbraw/zinc/44/79/49/510447949.db2.gz SPLVQRGFTSPDTQ-ZWKOTPCHSA-N 2 0 372.538 2.961 10 0 FFAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000181583825 510485363 /nfs/dbraw/zinc/48/53/63/510485363.db2.gz ZWABYPFHEHXTFZ-IBGZPJMESA-N 2 0 366.509 2.775 10 0 FFAERP CCOc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246574052 510562757 /nfs/dbraw/zinc/56/27/57/510562757.db2.gz LNLZWSFDWCPNEB-LPHOPBHVSA-N 2 0 357.498 2.973 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246885156 510727210 /nfs/dbraw/zinc/72/72/10/510727210.db2.gz DUIRGFIFUVWENN-AYBZRNKSSA-N 2 0 368.481 2.684 10 0 FFAERP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCC(C)CC2)C1 ZINC000195257434 510741424 /nfs/dbraw/zinc/74/14/24/510741424.db2.gz AZMFWFYJHDVDNB-GOSISDBHSA-N 2 0 350.576 2.937 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247197682 510850504 /nfs/dbraw/zinc/85/05/04/510850504.db2.gz LNWVWRXZELBWIQ-XLIONFOSSA-N 2 0 358.530 2.907 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000247277761 510855248 /nfs/dbraw/zinc/85/52/48/510855248.db2.gz KEIGJKODWKKTJR-FXAWDEMLSA-N 2 0 358.530 2.810 10 0 FFAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccccc1 ZINC000247317549 510856769 /nfs/dbraw/zinc/85/67/69/510856769.db2.gz OJTQFROSWZQEJO-MJGOQNOKSA-N 2 0 358.530 2.996 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247473733 510862065 /nfs/dbraw/zinc/86/20/65/510862065.db2.gz RXFYMTDJXWBAEP-YLJYHZDGSA-N 2 0 358.530 2.907 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000247506513 510863649 /nfs/dbraw/zinc/86/36/49/510863649.db2.gz VKQGAGHYSDBOFE-XLIONFOSSA-N 2 0 356.514 2.661 10 0 FFAERP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C[NH+]3CCCC3)C2)n1 ZINC000328631940 511901928 /nfs/dbraw/zinc/90/19/28/511901928.db2.gz KZKLMPAGWCBNBO-INIZCTEOSA-N 2 0 355.486 2.794 10 0 FFAERP [NH3+][C@H](C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000328636162 511902676 /nfs/dbraw/zinc/90/26/76/511902676.db2.gz NWTIMEWIRAQCBS-ROUUACIJSA-N 2 0 355.507 2.919 10 0 FFAERP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1O ZINC000187050094 729372015 /nfs/dbraw/zinc/37/20/15/729372015.db2.gz OOKLHIRCKMHZMJ-DZGCQCFKSA-N 2 0 371.319 2.961 10 0 FFAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000262174670 729660658 /nfs/dbraw/zinc/66/06/58/729660658.db2.gz VPHVNLDBRZUNNH-NHYWBVRUSA-N 2 0 367.312 2.848 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000102038469 250099103 /nfs/dbraw/zinc/09/91/03/250099103.db2.gz AKESRBTXJGQZFX-LJQANCHMSA-N 2 0 374.529 2.995 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2ccccc2Cl)CC1 ZINC000106125242 250241750 /nfs/dbraw/zinc/24/17/50/250241750.db2.gz DJGWPXWJQGBZQH-HNNXBMFYSA-N 2 0 367.921 2.693 10 0 FFAERP CC1(C)CC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC(C)(C)[NH2+]1 ZINC000107824510 507868667 /nfs/dbraw/zinc/86/86/67/507868667.db2.gz FIZBPBYQZLGIIL-QGZVFWFLSA-N 2 0 350.551 2.956 10 0 FFAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000107840695 507869899 /nfs/dbraw/zinc/86/98/99/507869899.db2.gz ORFHOEAMANDLKL-OALUTQOASA-N 2 0 350.551 2.767 10 0 FFAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102038267 508265333 /nfs/dbraw/zinc/26/53/33/508265333.db2.gz HJDFLGAENVCKSQ-NVXWUHKLSA-N 2 0 350.507 2.754 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105093906 508360317 /nfs/dbraw/zinc/36/03/17/508360317.db2.gz BZOMREVQZNQTKE-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105135156 508363380 /nfs/dbraw/zinc/36/33/80/508363380.db2.gz CYHZKPQTQGKUTQ-GUDVDZBRSA-N 2 0 350.551 2.624 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000119628508 508831893 /nfs/dbraw/zinc/83/18/93/508831893.db2.gz JVUJUWDKGUOXKU-GIVPXCGWSA-N 2 0 372.557 2.579 10 0 FFAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150857328 508909003 /nfs/dbraw/zinc/90/90/03/508909003.db2.gz VMLPEBGQBMPXLH-PXNSSMCTSA-N 2 0 373.545 2.597 10 0 FFAERP CCn1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000121161548 509141883 /nfs/dbraw/zinc/14/18/83/509141883.db2.gz KVHPAIPWJHHLRU-OAQYLSRUSA-N 2 0 356.514 2.780 10 0 FFAERP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000247976575 509208603 /nfs/dbraw/zinc/20/86/03/509208603.db2.gz GOZBOWSISFZKTB-VQTJNVASSA-N 2 0 358.530 2.805 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176172482 509359881 /nfs/dbraw/zinc/35/98/81/509359881.db2.gz WJILIHSCKMKQLG-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000176271140 509413514 /nfs/dbraw/zinc/41/35/14/509413514.db2.gz YIPXDUFFFJLFLS-LJQANCHMSA-N 2 0 373.545 2.695 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170828772 509795906 /nfs/dbraw/zinc/79/59/06/509795906.db2.gz HTVDHGVUMOWAFW-XLIONFOSSA-N 2 0 358.530 2.764 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170828736 509796613 /nfs/dbraw/zinc/79/66/13/509796613.db2.gz ZASUJNVZDJNTSX-XLIONFOSSA-N 2 0 358.530 2.907 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000170835169 509801554 /nfs/dbraw/zinc/80/15/54/509801554.db2.gz HRFSMBBPRGJRNE-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000173852993 509816715 /nfs/dbraw/zinc/81/67/15/509816715.db2.gz GALXNOZOOBHVLB-LEWJYISDSA-N 2 0 370.541 2.703 10 0 FFAERP C[C@]1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000251705767 509818293 /nfs/dbraw/zinc/81/82/93/509818293.db2.gz JRWCTOYLQQUTCI-PZJWPPBQSA-N 2 0 356.514 2.531 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000245417508 509916487 /nfs/dbraw/zinc/91/64/87/509916487.db2.gz KCHZJJAJIRIKBJ-RTWAWAEBSA-N 2 0 372.557 2.677 10 0 FFAERP OCCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188402 509949829 /nfs/dbraw/zinc/94/98/29/509949829.db2.gz FHLCFVXZKUQQSQ-OAQYLSRUSA-N 2 0 368.525 2.925 10 0 FFAERP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)N1CC[NH+](C)CC1 ZINC000194028439 510182421 /nfs/dbraw/zinc/18/24/21/510182421.db2.gz YSELECKUDYCMSC-NXVRBGIVSA-N 2 0 366.347 2.921 10 0 FFAERP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3cccnc3)CC2)C[C@@H](C)O1 ZINC000178041473 510397015 /nfs/dbraw/zinc/39/70/15/510397015.db2.gz PHFQJCZLGCVCIG-RTBURBONSA-N 2 0 360.546 2.525 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185002801 510627127 /nfs/dbraw/zinc/62/71/27/510627127.db2.gz AHZKTGFDDULGQV-ACJLOTCBSA-N 2 0 358.885 2.537 10 0 FFAERP COC(=O)c1ccc(Cl)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181925666 510663638 /nfs/dbraw/zinc/66/36/38/510663638.db2.gz DXLJVMOGJDKEMC-AWEZNQCLSA-N 2 0 368.905 2.651 10 0 FFAERP O=C1O[C@H](CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857597 510712959 /nfs/dbraw/zinc/71/29/59/510712959.db2.gz PLNBYLXMHRNZQT-DBVUQKKJSA-N 2 0 355.482 2.961 10 0 FFAERP Cn1cc([C@@H]2CCC[NH+]2CCCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000247075518 510826616 /nfs/dbraw/zinc/82/66/16/510826616.db2.gz SNMQEKXOZDYXCW-PMACEKPBSA-N 2 0 356.518 2.908 10 0 FFAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000247204262 510851715 /nfs/dbraw/zinc/85/17/15/510851715.db2.gz UMVLQAXIYYHEFI-RYRKJORJSA-N 2 0 362.543 2.621 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000247346452 510857940 /nfs/dbraw/zinc/85/79/40/510857940.db2.gz NUDCSBPNSUYPEJ-FXAWDEMLSA-N 2 0 358.530 2.810 10 0 FFAERP C[C@H]1CCC[N@@H+]1CCCOc1ccc(N2C[C@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000584656551 518419568 /nfs/dbraw/zinc/41/95/68/518419568.db2.gz UMBIUKXYVHZHEH-LAUBAEHRSA-N 2 0 357.498 2.656 10 0 FFAERP C[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@H]4C[C@@H]4[NH3+])cc3)cc2)CC1 ZINC000653718368 571334831 /nfs/dbraw/zinc/33/48/31/571334831.db2.gz SSWIQIUOBLUKHT-UXHICEINSA-N 2 0 350.466 2.505 10 0 FFAERP Cc1nc2c(c(N3C[C@H]4OCCN(Cc5ccccc5)[C@H]4C3)n1)CCCC2 ZINC000302081669 258086787 /nfs/dbraw/zinc/08/67/87/258086787.db2.gz JJABIRSQZYRBNX-LEWJYISDSA-N 2 0 364.493 2.753 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000079204223 507943451 /nfs/dbraw/zinc/94/34/51/507943451.db2.gz GQGGQGDCQKODHZ-IAGOWNOFSA-N 2 0 350.507 2.692 10 0 FFAERP COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000076392316 508198902 /nfs/dbraw/zinc/19/89/02/508198902.db2.gz CMKZCLYNLBPXBP-PKOBYXMFSA-N 2 0 373.541 2.862 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113584427 508274240 /nfs/dbraw/zinc/27/42/40/508274240.db2.gz LNWVWRXZELBWIQ-PXNSSMCTSA-N 2 0 358.530 2.907 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103307165 508305781 /nfs/dbraw/zinc/30/57/81/508305781.db2.gz BNMKRQXEPYYUBA-LEWJYISDSA-N 2 0 374.573 2.827 10 0 FFAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305145 508306249 /nfs/dbraw/zinc/30/62/49/508306249.db2.gz SHJMVYOZRGVNRM-MOPGFXCFSA-N 2 0 352.567 2.870 10 0 FFAERP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105118763 508361496 /nfs/dbraw/zinc/36/14/96/508361496.db2.gz SKHXVZCJPAVORQ-FQEVSTJZSA-N 2 0 356.514 2.662 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)ccc1F ZINC000115417433 508392734 /nfs/dbraw/zinc/39/27/34/508392734.db2.gz BNRLGIIEZGMAKE-FQEVSTJZSA-N 2 0 357.473 2.676 10 0 FFAERP CN(c1ccccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)C1CC[NH+](C)CC1 ZINC000128470626 508596787 /nfs/dbraw/zinc/59/67/87/508596787.db2.gz CRANSSYTIYOXDD-SFHVURJKSA-N 2 0 367.541 2.940 10 0 FFAERP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1-c1ccccc1 ZINC000121118339 509131955 /nfs/dbraw/zinc/13/19/55/509131955.db2.gz GFAWUKPKMBCEEF-KRWDZBQOSA-N 2 0 356.514 2.705 10 0 FFAERP CCn1cc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000121161387 509141857 /nfs/dbraw/zinc/14/18/57/509141857.db2.gz KVHPAIPWJHHLRU-NRFANRHFSA-N 2 0 356.514 2.780 10 0 FFAERP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)c2C1 ZINC000188752178 509246375 /nfs/dbraw/zinc/24/63/75/509246375.db2.gz GYWAPFILKHOGTN-UHFFFAOYSA-N 2 0 353.470 2.669 10 0 FFAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248752498 509470408 /nfs/dbraw/zinc/47/04/08/509470408.db2.gz CDEZEWKPGSDQAC-SNJCGAMXSA-N 3 0 370.585 2.798 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2N2CCCC2)CC1 ZINC000179517921 509492129 /nfs/dbraw/zinc/49/21/29/509492129.db2.gz PFZCLFKLUWEPIN-QGZVFWFLSA-N 2 0 363.521 2.951 10 0 FFAERP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1C[NH+]1CCCCC1 ZINC000183218293 509662367 /nfs/dbraw/zinc/66/23/67/509662367.db2.gz UODCHCSPJBGFLZ-VQIMIIECSA-N 2 0 369.513 2.938 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000250565644 509800667 /nfs/dbraw/zinc/80/06/67/509800667.db2.gz TZAMWOKLHJSPBW-SJORKVTESA-N 2 0 364.559 2.744 10 0 FFAERP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000183581179 509872104 /nfs/dbraw/zinc/87/21/04/509872104.db2.gz SEQLDKACHZZNJJ-LLVKDONJSA-N 2 0 365.465 2.995 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000171351303 510098715 /nfs/dbraw/zinc/09/87/15/510098715.db2.gz ZYJZPEWBOJJHNN-MOPGFXCFSA-N 2 0 350.551 2.768 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)[nH+]1 ZINC000246010611 510248741 /nfs/dbraw/zinc/24/87/41/510248741.db2.gz HVGMRUDLSVXYOX-MJGOQNOKSA-N 2 0 350.466 2.929 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171653561 510283480 /nfs/dbraw/zinc/28/34/80/510283480.db2.gz VVJIVKOPLNERNY-IBGZPJMESA-N 2 0 352.482 2.782 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171653564 510284392 /nfs/dbraw/zinc/28/43/92/510284392.db2.gz VVJIVKOPLNERNY-LJQANCHMSA-N 2 0 352.482 2.782 10 0 FFAERP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177884786 510309451 /nfs/dbraw/zinc/30/94/51/510309451.db2.gz UBIMWJCQURPKFJ-UNMCSNQZSA-N 2 0 368.525 2.833 10 0 FFAERP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246171953 510337836 /nfs/dbraw/zinc/33/78/36/510337836.db2.gz SKSVARAWSXDGGD-SJORKVTESA-N 2 0 350.466 2.793 10 0 FFAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246307018 510418452 /nfs/dbraw/zinc/41/84/52/510418452.db2.gz NKCFOAIECDEXAH-NHCUHLMSSA-N 2 0 368.525 2.697 10 0 FFAERP Cc1nccnc1[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187976667 510529926 /nfs/dbraw/zinc/52/99/26/510529926.db2.gz UTNMQAAGJDOGGZ-PXNSSMCTSA-N 2 0 354.498 2.881 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184893742 510568018 /nfs/dbraw/zinc/56/80/18/510568018.db2.gz UNNAINUTHRILBD-FQEVSTJZSA-N 2 0 373.545 2.777 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2)CC1 ZINC000184906088 510575858 /nfs/dbraw/zinc/57/58/58/510575858.db2.gz ZRHKGVHBMHLGND-FQEVSTJZSA-N 2 0 371.529 2.531 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000246641909 510596904 /nfs/dbraw/zinc/59/69/04/510596904.db2.gz ZNQUQXFGMFGMBQ-NRSPTQNISA-N 2 0 370.541 2.919 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000175642867 510709262 /nfs/dbraw/zinc/70/92/62/510709262.db2.gz ZNQUQXFGMFGMBQ-HMXCVIKNSA-N 2 0 370.541 2.919 10 0 FFAERP COc1cccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246945698 510761330 /nfs/dbraw/zinc/76/13/30/510761330.db2.gz UKBIGEMOLMVDAH-GHTZIAJQSA-N 2 0 371.525 2.602 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000246974650 510776669 /nfs/dbraw/zinc/77/66/69/510776669.db2.gz DTKOMFTYPGGPHP-IKGGRYGDSA-N 2 0 362.543 2.763 10 0 FFAERP [NH3+][C@H](C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000328636156 511902592 /nfs/dbraw/zinc/90/25/92/511902592.db2.gz NWTIMEWIRAQCBS-MSOLQXFVSA-N 2 0 355.507 2.919 10 0 FFAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000333838856 965352314 /nfs/dbraw/zinc/35/23/14/965352314.db2.gz USKGQVXRGRREBJ-MXEMCNAFSA-N 2 0 370.541 2.810 10 0 FFAERP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cnc2n1 ZINC000092813218 250002410 /nfs/dbraw/zinc/00/24/10/250002410.db2.gz JWZPZDNXWLVBIE-QGZVFWFLSA-N 2 0 350.470 2.984 10 0 FFAERP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000107837411 507869816 /nfs/dbraw/zinc/86/98/16/507869816.db2.gz OOXVGRFYTWBBGU-RTBURBONSA-N 2 0 350.551 2.768 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000113584363 508273881 /nfs/dbraw/zinc/27/38/81/508273881.db2.gz AORPKJNQHMGBHP-PXNSSMCTSA-N 2 0 358.530 2.907 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000114719804 508341893 /nfs/dbraw/zinc/34/18/93/508341893.db2.gz WOZAKUYCKJGJAZ-CVEARBPZSA-N 2 0 358.486 2.822 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105112558 508361853 /nfs/dbraw/zinc/36/18/53/508361853.db2.gz JTVKQIKJOJIQPP-OAQYLSRUSA-N 2 0 370.541 2.839 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129075424 508679371 /nfs/dbraw/zinc/67/93/71/508679371.db2.gz DYQNWLLISACUCK-LMMKCTJWSA-N 2 0 350.551 2.621 10 0 FFAERP CCCn1c2ccccc2nc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121099801 509127973 /nfs/dbraw/zinc/12/79/73/509127973.db2.gz YIJDFQMOPGXYRN-QGZVFWFLSA-N 2 0 358.530 2.971 10 0 FFAERP C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000188955634 509339839 /nfs/dbraw/zinc/33/98/39/509339839.db2.gz QHIGHDAQJHBXSB-NRXGSXMXSA-N 2 0 365.468 2.552 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000176142857 509344381 /nfs/dbraw/zinc/34/43/81/509344381.db2.gz SKFTUBBNKJFQEV-ROUUACIJSA-N 2 0 362.518 2.932 10 0 FFAERP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000249041951 509581966 /nfs/dbraw/zinc/58/19/66/509581966.db2.gz GXRVOTNBISBPKP-NCJOTSGUSA-N 2 0 373.447 2.863 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000177024610 509823381 /nfs/dbraw/zinc/82/33/81/509823381.db2.gz JVLAVZPSBDWXBK-FQEVSTJZSA-N 2 0 358.530 2.777 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000174232404 510015768 /nfs/dbraw/zinc/01/57/68/510015768.db2.gz ZHXDWTVAHDNWLB-PMACEKPBSA-N 2 0 358.530 2.634 10 0 FFAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190644028 510256606 /nfs/dbraw/zinc/25/66/06/510256606.db2.gz LRGYEQMSVWXTOI-HXUWFJFHSA-N 2 0 366.509 2.737 10 0 FFAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000177885128 510309651 /nfs/dbraw/zinc/30/96/51/510309651.db2.gz XUWSCHMVSGOZDB-DLBZAZTESA-N 2 0 355.486 2.917 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000246169195 510334382 /nfs/dbraw/zinc/33/43/82/510334382.db2.gz RWDYSTVCQXCOKS-OALUTQOASA-N 2 0 350.551 2.624 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185002779 510626045 /nfs/dbraw/zinc/62/60/45/510626045.db2.gz AHZKTGFDDULGQV-UGSOOPFHSA-N 2 0 358.885 2.537 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247281716 510855300 /nfs/dbraw/zinc/85/53/00/510855300.db2.gz SHIYSOHPKRVKIJ-DYESRHJHSA-N 2 0 366.509 2.784 10 0 FFAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282701 510855428 /nfs/dbraw/zinc/85/54/28/510855428.db2.gz SXRATIFASMDLRJ-YLJYHZDGSA-N 2 0 356.514 2.641 10 0 FFAERP CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(NC[C@H]2CCCn3ccnc32)n1 ZINC000330149165 990817892 /nfs/dbraw/zinc/81/78/92/990817892.db2.gz VAGPANOATMRWOD-NUJGCVRESA-N 2 0 370.501 3.278 10 0 FFAERP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301644740 258060286 /nfs/dbraw/zinc/06/02/86/258060286.db2.gz HMVBOYXYVIDAQD-MSOLQXFVSA-N 2 0 369.465 2.548 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000079204211 507943470 /nfs/dbraw/zinc/94/34/70/507943470.db2.gz GQGGQGDCQKODHZ-SJORKVTESA-N 2 0 350.507 2.692 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000114719802 508341902 /nfs/dbraw/zinc/34/19/02/508341902.db2.gz WOZAKUYCKJGJAZ-HOTGVXAUSA-N 2 0 358.486 2.822 10 0 FFAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105129891 508362452 /nfs/dbraw/zinc/36/24/52/508362452.db2.gz ZTRZBLWXNUOPDF-WOJBJXKFSA-N 2 0 356.514 2.703 10 0 FFAERP C[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000121959750 508456901 /nfs/dbraw/zinc/45/69/01/508456901.db2.gz ZYBWJEJZCGQWCT-KRWDZBQOSA-N 2 0 366.509 2.648 10 0 FFAERP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000154540256 508805328 /nfs/dbraw/zinc/80/53/28/508805328.db2.gz QMIUHNUHFOJRKE-GOEBONIOSA-N 2 0 372.469 2.700 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000132478339 509037309 /nfs/dbraw/zinc/03/73/09/509037309.db2.gz OZLRESQCGYGAAH-HOJAQTOUSA-N 2 0 358.530 2.851 10 0 FFAERP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121087124 509125490 /nfs/dbraw/zinc/12/54/90/509125490.db2.gz ZOOPGOZXRPZRDC-QGZVFWFLSA-N 2 0 356.514 2.705 10 0 FFAERP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCCN4CCOCC4)CC[C@H]32)cc1 ZINC000248132611 509243374 /nfs/dbraw/zinc/24/33/74/509243374.db2.gz OQHYZOFCJSBOCN-FGZHOGPDSA-N 2 0 357.542 2.695 10 0 FFAERP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189165569 509445503 /nfs/dbraw/zinc/44/55/03/509445503.db2.gz FJZQUQVSCKLZJI-LJQANCHMSA-N 2 0 362.905 2.609 10 0 FFAERP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000183271984 509690245 /nfs/dbraw/zinc/69/02/45/509690245.db2.gz SSNDZIQVPVSNCF-SFTDATJTSA-N 2 0 368.525 2.906 10 0 FFAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000250243871 509793672 /nfs/dbraw/zinc/79/36/72/509793672.db2.gz VFBJNRXQSGMOTF-ICSRJNTNSA-N 2 0 359.489 2.734 10 0 FFAERP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000170941955 509860216 /nfs/dbraw/zinc/86/02/16/509860216.db2.gz LMRGLSPHFPCZHA-INIZCTEOSA-N 2 0 362.514 2.813 10 0 FFAERP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000245426567 509924861 /nfs/dbraw/zinc/92/48/61/509924861.db2.gz GDGUKYAUXBFGFC-HBFSDRIKSA-N 2 0 358.530 2.775 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000171351521 510098882 /nfs/dbraw/zinc/09/88/82/510098882.db2.gz RWDYSTVCQXCOKS-MOPGFXCFSA-N 2 0 350.551 2.624 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246298916 510414057 /nfs/dbraw/zinc/41/40/57/510414057.db2.gz AIYXVHPNWCBTRN-SESVDKBCSA-N 2 0 355.526 2.635 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246459915 510499298 /nfs/dbraw/zinc/49/92/98/510499298.db2.gz YUGCZKMUOWSYER-FXAWDEMLSA-N 2 0 358.530 2.679 10 0 FFAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246541089 510546259 /nfs/dbraw/zinc/54/62/59/510546259.db2.gz XNPMAWPCNABQKX-IRXDYDNUSA-N 2 0 362.543 2.765 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000172134677 510560043 /nfs/dbraw/zinc/56/00/43/510560043.db2.gz UNUYXAKAIKUJMC-ROUUACIJSA-N 2 0 371.529 2.529 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247153975 510846212 /nfs/dbraw/zinc/84/62/12/510846212.db2.gz KEKHRXAHCMKRAP-FCGDIQPGSA-N 2 0 350.551 2.623 10 0 FFAERP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000131986780 251035516 /nfs/dbraw/zinc/03/55/16/251035516.db2.gz CPCKWZKTQZUNQK-SFHVURJKSA-N 2 0 373.545 2.782 10 0 FFAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066191084 506443622 /nfs/dbraw/zinc/44/36/22/506443622.db2.gz ZQDZSMKTJXNCJR-RTWAWAEBSA-N 2 0 370.541 2.921 10 0 FFAERP [NH3+]CCc1c[nH]c2ccc(O)c(-c3c4c(CC[NH3+])c[nH]c4ccc3O)c12 ZINC000006091794 506466965 /nfs/dbraw/zinc/46/69/65/506466965.db2.gz KEVPJLBSMTXTHH-UHFFFAOYSA-N 2 0 350.422 2.730 10 0 FFAERP CC1CC[NH+](CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107828078 507869032 /nfs/dbraw/zinc/86/90/32/507869032.db2.gz YIQLIVXZJOUDDZ-LJQANCHMSA-N 2 0 350.551 2.768 10 0 FFAERP COc1cccc([C@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C)c1 ZINC000079222716 507946019 /nfs/dbraw/zinc/94/60/19/507946019.db2.gz BHGHIAXQUZEFET-MJGOQNOKSA-N 2 0 364.534 2.573 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000109949511 507997585 /nfs/dbraw/zinc/99/75/85/507997585.db2.gz OQKYZHODEMITBN-HXUWFJFHSA-N 2 0 372.557 2.579 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103307169 508306229 /nfs/dbraw/zinc/30/62/29/508306229.db2.gz BNMKRQXEPYYUBA-NHCUHLMSSA-N 2 0 374.573 2.827 10 0 FFAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105091434 508360551 /nfs/dbraw/zinc/36/05/51/508360551.db2.gz ICFWLWFRJUJUST-HXUWFJFHSA-N 2 0 356.514 2.662 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000124138253 508787606 /nfs/dbraw/zinc/78/76/06/508787606.db2.gz BZIMAZFFWBVVMQ-MISYRCLQSA-N 2 0 362.562 2.765 10 0 FFAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000155226293 508952448 /nfs/dbraw/zinc/95/24/48/508952448.db2.gz DRQQARMBRXTPLC-MOPGFXCFSA-N 2 0 373.497 2.669 10 0 FFAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248752501 509469928 /nfs/dbraw/zinc/46/99/28/509469928.db2.gz CDEZEWKPGSDQAC-XBYSBRQOSA-N 3 0 370.585 2.798 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248754077 509471542 /nfs/dbraw/zinc/47/15/42/509471542.db2.gz PBPSNMYPZOSONQ-UXHICEINSA-N 2 0 358.530 2.634 10 0 FFAERP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000248810687 509493665 /nfs/dbraw/zinc/49/36/65/509493665.db2.gz CKLXVGSEOGEFOV-ZIFCJYIRSA-N 2 0 364.530 2.684 10 0 FFAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170828749 509796329 /nfs/dbraw/zinc/79/63/29/509796329.db2.gz YLKKXOUNKGNLGE-PXNSSMCTSA-N 2 0 358.530 2.907 10 0 FFAERP OCCC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188400 509950516 /nfs/dbraw/zinc/95/05/16/509950516.db2.gz FHLCFVXZKUQQSQ-NRFANRHFSA-N 2 0 368.525 2.925 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000245463831 509952124 /nfs/dbraw/zinc/95/21/24/509952124.db2.gz HJLKBMXRICLOFJ-RHSMWYFYSA-N 2 0 368.472 2.693 10 0 FFAERP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000245667625 510073446 /nfs/dbraw/zinc/07/34/46/510073446.db2.gz RIGAFQLPVAGHEF-WOJBJXKFSA-N 2 0 356.514 2.605 10 0 FFAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479238 510154182 /nfs/dbraw/zinc/15/41/82/510154182.db2.gz OPUQXSABUSHCOW-HXUWFJFHSA-N 2 0 362.481 2.616 10 0 FFAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171598399 510245409 /nfs/dbraw/zinc/24/54/09/510245409.db2.gz DIHPHXTUDSYISH-HXUWFJFHSA-N 2 0 356.514 2.662 10 0 FFAERP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000190654941 510264741 /nfs/dbraw/zinc/26/47/41/510264741.db2.gz ASCNTSKHVGBABH-UYAOXDASSA-N 2 0 358.530 2.626 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCc4sccc4C3)C2)[nH+]1 ZINC000171650418 510281120 /nfs/dbraw/zinc/28/11/20/510281120.db2.gz RFFDNRWGURRNEB-MRXNPFEDSA-N 2 0 370.522 2.770 10 0 FFAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246218638 510371216 /nfs/dbraw/zinc/37/12/16/510371216.db2.gz OSSHGPBLACVJSO-PKOBYXMFSA-N 2 0 354.922 2.881 10 0 FFAERP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000188142889 510614908 /nfs/dbraw/zinc/61/49/08/510614908.db2.gz HUDKEXWEXQQFMB-RHSMWYFYSA-N 2 0 355.320 2.817 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCCc3cccs3)C2)[nH+]1 ZINC000246696458 510621630 /nfs/dbraw/zinc/62/16/30/510621630.db2.gz JEYSNVVZUNKVLT-SJORKVTESA-N 2 0 372.538 2.933 10 0 FFAERP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000195045888 510645858 /nfs/dbraw/zinc/64/58/58/510645858.db2.gz VFBJNRXQSGMOTF-AZUAARDMSA-N 2 0 359.489 2.734 10 0 FFAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC[C@H]21 ZINC000246839378 510703803 /nfs/dbraw/zinc/70/38/03/510703803.db2.gz KJUFBWYNHWPFFN-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP Cn1cc([C@H]2CC[N@H+](CCCCC[NH+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000172658652 510838466 /nfs/dbraw/zinc/83/84/66/510838466.db2.gz IRFYVIDMFGJRAC-KDURUIRLSA-N 2 0 370.545 2.603 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000247375144 510858841 /nfs/dbraw/zinc/85/88/41/510858841.db2.gz FSBOZFBSAPTXGI-RXVVDRJESA-N 2 0 370.541 2.908 10 0 FFAERP COc1cc(C[NH+]2CCCCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000014958244 211105945 /nfs/dbraw/zinc/10/59/45/211105945.db2.gz DCXSEPAIAIFEJB-LJQANCHMSA-N 2 0 362.514 2.907 10 0 FFAERP Cc1nc2c(c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n1)CCCC2 ZINC000332993233 258244730 /nfs/dbraw/zinc/24/47/30/258244730.db2.gz BPEWLXSSSMVVOA-OXJNMPFZSA-N 2 0 368.529 2.917 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000052498250 507810869 /nfs/dbraw/zinc/81/08/69/507810869.db2.gz HURXGCVSTIFPQK-ICSRJNTNSA-N 2 0 374.529 2.616 10 0 FFAERP CCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107842738 507869605 /nfs/dbraw/zinc/86/96/05/507869605.db2.gz CTMBTSMMWHHPGV-IBGZPJMESA-N 2 0 350.551 2.911 10 0 FFAERP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000107837408 507869702 /nfs/dbraw/zinc/86/97/02/507869702.db2.gz OOXVGRFYTWBBGU-RBUKOAKNSA-N 2 0 350.551 2.768 10 0 FFAERP C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[NH+]1CCCCCC1 ZINC000154900709 508878799 /nfs/dbraw/zinc/87/87/99/508878799.db2.gz BJLQPTCYHBYUJT-INIZCTEOSA-N 2 0 360.502 2.758 10 0 FFAERP CCn1nccc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121170254 509144179 /nfs/dbraw/zinc/14/41/79/509144179.db2.gz QCTURFJAUJCNQM-NRFANRHFSA-N 2 0 356.514 2.780 10 0 FFAERP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000121203387 509149733 /nfs/dbraw/zinc/14/97/33/509149733.db2.gz UVEOCPREMYYKAQ-RTBURBONSA-N 2 0 365.562 2.645 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000248486146 509340243 /nfs/dbraw/zinc/34/02/43/509340243.db2.gz KZOSATQTLBBOSF-ICSRJNTNSA-N 2 0 355.526 2.984 10 0 FFAERP O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721976 509613869 /nfs/dbraw/zinc/61/38/69/509613869.db2.gz WYXZXQXEYWMGDI-KBRMVUAJSA-N 2 0 357.542 2.618 10 0 FFAERP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000170832455 509799784 /nfs/dbraw/zinc/79/97/84/509799784.db2.gz WBPGHGUEYJUHQI-PKOBYXMFSA-N 2 0 374.529 2.568 10 0 FFAERP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000170862957 509818518 /nfs/dbraw/zinc/81/85/18/509818518.db2.gz RMBIFVRPOIHTQH-SJORKVTESA-N 2 0 364.559 2.867 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180220646 509820138 /nfs/dbraw/zinc/82/01/38/509820138.db2.gz FCJOMXZSBAKWCX-NRFANRHFSA-N 2 0 366.509 2.587 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000245413668 509915134 /nfs/dbraw/zinc/91/51/34/509915134.db2.gz BRBUXOPBUDGNEP-CTNGQTDRSA-N 2 0 370.541 2.527 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000177305779 509987793 /nfs/dbraw/zinc/98/77/93/509987793.db2.gz TWNGRZAZVWXPNV-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174236998 510018016 /nfs/dbraw/zinc/01/80/16/510018016.db2.gz XYSXIKICSDFGTC-LJQANCHMSA-N 2 0 373.545 2.814 10 0 FFAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000245927529 510211671 /nfs/dbraw/zinc/21/16/71/510211671.db2.gz HUTHUPXDSUJPOO-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000194131674 510229761 /nfs/dbraw/zinc/22/97/61/510229761.db2.gz XWEOZIVIBAIFHZ-CVEARBPZSA-N 2 0 350.532 2.669 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246006593 510246873 /nfs/dbraw/zinc/24/68/73/510246873.db2.gz HTVDHGVUMOWAFW-YLJYHZDGSA-N 2 0 358.530 2.764 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000171605252 510248131 /nfs/dbraw/zinc/24/81/31/510248131.db2.gz SASPSWWHNUUINB-RTBURBONSA-N 2 0 355.482 2.706 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000246196190 510353475 /nfs/dbraw/zinc/35/34/75/510353475.db2.gz MSCMRPZASYVXDQ-HBFSDRIKSA-N 2 0 374.529 2.566 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000171900384 510437553 /nfs/dbraw/zinc/43/75/53/510437553.db2.gz FSBOZFBSAPTXGI-WIYYLYMNSA-N 2 0 370.541 2.908 10 0 FFAERP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194661613 510469910 /nfs/dbraw/zinc/46/99/10/510469910.db2.gz OVSAYMPTFAUBRH-HXUWFJFHSA-N 2 0 356.514 2.703 10 0 FFAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000191519162 510700127 /nfs/dbraw/zinc/70/01/27/510700127.db2.gz KDDHAFBJHKPNIW-VXKWHMMOSA-N 2 0 359.558 2.991 10 0 FFAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC000247282691 510855481 /nfs/dbraw/zinc/85/54/81/510855481.db2.gz SXRATIFASMDLRJ-FXAWDEMLSA-N 2 0 356.514 2.641 10 0 FFAERP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247353348 510858213 /nfs/dbraw/zinc/85/82/13/510858213.db2.gz YHJIVORSBHUSOZ-AZUAARDMSA-N 2 0 354.498 2.915 10 0 FFAERP Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328651864 511907381 /nfs/dbraw/zinc/90/73/81/511907381.db2.gz WCLSPODVZWJWSN-GUDVDZBRSA-N 2 0 364.493 2.695 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000248853424 729611863 /nfs/dbraw/zinc/61/18/63/729611863.db2.gz JLCMVPZLGPABPX-ZIAGYGMSSA-N 2 0 373.950 2.525 10 0 FFAERP C[N@@H+](Cc1cnc(N)s1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261882957 729654659 /nfs/dbraw/zinc/65/46/59/729654659.db2.gz RKJODHYUMCZCGX-SFHVURJKSA-N 2 0 360.527 2.603 10 0 FFAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1cccc(C)c1 ZINC000013733076 211054127 /nfs/dbraw/zinc/05/41/27/211054127.db2.gz PSHJRRYZGFLIQR-UHFFFAOYSA-N 2 0 358.482 2.644 10 0 FFAERP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1c1ccccc1 ZINC000333141978 258252360 /nfs/dbraw/zinc/25/23/60/258252360.db2.gz DDGMJGLCZWROPD-NQIIRXRSSA-N 2 0 370.541 2.777 10 0 FFAERP C[C@H]1CC(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)C[C@H](C)C1 ZINC000375336158 512273771 /nfs/dbraw/zinc/27/37/71/512273771.db2.gz HMLYVFLRABKALM-WOJBJXKFSA-N 2 0 351.579 2.789 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)C1 ZINC000068587644 507278458 /nfs/dbraw/zinc/27/84/58/507278458.db2.gz HVEYXEZYCZFNNI-MRXNPFEDSA-N 2 0 368.472 2.522 10 0 FFAERP CCC[NH+]1CCC(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107842471 507869790 /nfs/dbraw/zinc/86/97/90/507869790.db2.gz KAMMVHKZYZWLQA-IBGZPJMESA-N 2 0 350.551 2.768 10 0 FFAERP C[C@@H](O)C1CC[NH+](Cc2cccc(C[NH+]3CCC([C@H](C)O)CC3)c2)CC1 ZINC000111288680 508087259 /nfs/dbraw/zinc/08/72/59/508087259.db2.gz PMRQMVATMPTFRT-HDICACEKSA-N 2 0 360.542 2.872 10 0 FFAERP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2cn3ccccc3n2)CC1)c1ccccc1 ZINC000113441592 508267949 /nfs/dbraw/zinc/26/79/49/508267949.db2.gz QLWAHGPHMSOGGC-NRFANRHFSA-N 2 0 364.493 2.870 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000105093608 508360246 /nfs/dbraw/zinc/36/02/46/508360246.db2.gz TXTPKTWTBCNNDL-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105170074 508363591 /nfs/dbraw/zinc/36/35/91/508363591.db2.gz GLSPHGZOTPDKNN-RTWAWAEBSA-N 2 0 372.557 2.819 10 0 FFAERP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106125472 508395951 /nfs/dbraw/zinc/39/59/51/508395951.db2.gz BOXZIYKAEUVOSK-HNNXBMFYSA-N 2 0 367.921 2.612 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000116250593 508491411 /nfs/dbraw/zinc/49/14/11/508491411.db2.gz SHIYSOHPKRVKIJ-UTKZUKDTSA-N 2 0 366.509 2.784 10 0 FFAERP C[N@@H+]1CCC[C@@H]1CCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888759 509083550 /nfs/dbraw/zinc/08/35/50/509083550.db2.gz YZIXGYPGSHVDMQ-LJQANCHMSA-N 2 0 354.498 2.944 10 0 FFAERP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000121203223 509149988 /nfs/dbraw/zinc/14/99/88/509149988.db2.gz UVEOCPREMYYKAQ-OALUTQOASA-N 2 0 365.562 2.645 10 0 FFAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248547412 509357266 /nfs/dbraw/zinc/35/72/66/509357266.db2.gz GECVTMDDRVBBRP-VAMGGRTRSA-N 2 0 364.555 2.702 10 0 FFAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248551446 509359226 /nfs/dbraw/zinc/35/92/26/509359226.db2.gz GUBYPBQRMOLBIU-NUJGCVRESA-N 2 0 352.906 2.804 10 0 FFAERP CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248653342 509420335 /nfs/dbraw/zinc/42/03/35/509420335.db2.gz OQPDHGCOQCHYGV-ICSRJNTNSA-N 2 0 360.546 2.728 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000176361310 509466092 /nfs/dbraw/zinc/46/60/92/509466092.db2.gz OXDSJBISDMHRQN-KRWDZBQOSA-N 2 0 362.518 2.883 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180094835 509749086 /nfs/dbraw/zinc/74/90/86/509749086.db2.gz QODOKEUTYQBZAP-KRWDZBQOSA-N 2 0 356.514 2.612 10 0 FFAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170828739 509796963 /nfs/dbraw/zinc/79/69/63/509796963.db2.gz ZASUJNVZDJNTSX-PXNSSMCTSA-N 2 0 358.530 2.907 10 0 FFAERP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000245606372 510035072 /nfs/dbraw/zinc/03/50/72/510035072.db2.gz AFZGOPMRIWQHPD-MOPGFXCFSA-N 2 0 358.530 2.994 10 0 FFAERP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000190558476 510206850 /nfs/dbraw/zinc/20/68/50/510206850.db2.gz VVPZQXYTUYXQID-HNNXBMFYSA-N 2 0 373.526 2.507 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246006588 510246816 /nfs/dbraw/zinc/24/68/16/510246816.db2.gz HTVDHGVUMOWAFW-FXAWDEMLSA-N 2 0 358.530 2.764 10 0 FFAERP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171899257 510437811 /nfs/dbraw/zinc/43/78/11/510437811.db2.gz NEISUEOPLOIMRE-HXUWFJFHSA-N 2 0 356.514 2.662 10 0 FFAERP COc1cccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246407832 510471274 /nfs/dbraw/zinc/47/12/74/510471274.db2.gz BHHLHJCSXFNLOX-OXJNMPFZSA-N 2 0 357.498 2.973 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000246832570 510698911 /nfs/dbraw/zinc/69/89/11/510698911.db2.gz DWAVDWYPZHPUJC-HCXYKTFWSA-N 2 0 352.567 2.772 10 0 FFAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC[C@H]21 ZINC000247294600 510855845 /nfs/dbraw/zinc/85/58/45/510855845.db2.gz UHVXXFRHQIBAPJ-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000247396915 510859649 /nfs/dbraw/zinc/85/96/49/510859649.db2.gz PCGCWQWMPQXFHF-HOJAQTOUSA-N 2 0 356.514 2.702 10 0 FFAERP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247567739 510865909 /nfs/dbraw/zinc/86/59/09/510865909.db2.gz GVKAZVGNDIOVQF-LSDHHAIUSA-N 2 0 367.921 2.692 10 0 FFAERP Cc1oc(-c2cccs2)nc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333861650 511375494 /nfs/dbraw/zinc/37/54/94/511375494.db2.gz QAIONOOYHCQFIN-ZBFHGGJFSA-N 2 0 359.495 2.912 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000634724014 523613220 /nfs/dbraw/zinc/61/32/20/523613220.db2.gz HUJOYMFGGAKJBU-YZGWKJHDSA-N 2 0 358.482 2.515 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(F)c1 ZINC000888098959 734011462 /nfs/dbraw/zinc/01/14/62/734011462.db2.gz NYPLACAPVVOCEF-WWYBLAPGSA-N 2 0 350.478 2.965 10 0 FFAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000333838888 965353695 /nfs/dbraw/zinc/35/36/95/965353695.db2.gz USKGQVXRGRREBJ-XRXFAXGQSA-N 2 0 370.541 2.810 10 0 FFAERP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(Cl)c1 ZINC000106126264 250240468 /nfs/dbraw/zinc/24/04/68/250240468.db2.gz MVYWMGCETOBRNA-HNNXBMFYSA-N 2 0 367.921 2.612 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1 ZINC000057204778 507205190 /nfs/dbraw/zinc/20/51/90/507205190.db2.gz SDJVCJTZURRTNC-SFTDATJTSA-N 2 0 368.525 2.761 10 0 FFAERP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4cc(C)ccc4n3C)CC[C@H]21 ZINC000072473030 507795147 /nfs/dbraw/zinc/79/51/47/507795147.db2.gz IMBCJWOSSHXKCZ-LAUBAEHRSA-N 2 0 368.525 2.519 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)[nH+]1 ZINC000109327077 507955550 /nfs/dbraw/zinc/95/55/50/507955550.db2.gz HVGMRUDLSVXYOX-IEBWSBKVSA-N 2 0 350.466 2.929 10 0 FFAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109544842 507968273 /nfs/dbraw/zinc/96/82/73/507968273.db2.gz UJJYPARXGSLOQT-RBUKOAKNSA-N 2 0 373.541 2.687 10 0 FFAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000076075173 508156023 /nfs/dbraw/zinc/15/60/23/508156023.db2.gz UXQONDZYBCPELL-SFTDATJTSA-N 2 0 373.541 2.564 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305142 508306127 /nfs/dbraw/zinc/30/61/27/508306127.db2.gz SHJMVYOZRGVNRM-OALUTQOASA-N 2 0 352.567 2.870 10 0 FFAERP CN1CC[NH+]([C@H]2CCCCN(Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000152278950 508414540 /nfs/dbraw/zinc/41/45/40/508414540.db2.gz MBYMLGMMDSYYKD-FQEVSTJZSA-N 2 0 354.498 2.944 10 0 FFAERP CC[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C[C@@H](C)O ZINC000120734988 509055258 /nfs/dbraw/zinc/05/52/58/509055258.db2.gz MLAOATKYFVVBMM-TZIWHRDSSA-N 2 0 361.574 2.922 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000178929649 509188426 /nfs/dbraw/zinc/18/84/26/509188426.db2.gz BVXSIHJYWXZXRG-HZPDHXFCSA-N 2 0 352.548 2.770 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406111 509300516 /nfs/dbraw/zinc/30/05/16/509300516.db2.gz SBCPYFMJOIQEHV-DFEOGRTESA-N 2 0 350.551 2.667 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410549 509303733 /nfs/dbraw/zinc/30/37/33/509303733.db2.gz YCWDXTPAIUXZRZ-FGTMMUONSA-N 2 0 352.567 2.915 10 0 FFAERP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)C1 ZINC000248599981 509382800 /nfs/dbraw/zinc/38/28/00/509382800.db2.gz UTXMESCHCFFWBL-IRLDBZIGSA-N 2 0 359.558 2.592 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000176274253 509415609 /nfs/dbraw/zinc/41/56/09/509415609.db2.gz HDBLBSAYONAIRV-SFHVURJKSA-N 2 0 373.545 2.777 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2N2CCCC2)CC1 ZINC000179517912 509491863 /nfs/dbraw/zinc/49/18/63/509491863.db2.gz PFZCLFKLUWEPIN-KRWDZBQOSA-N 2 0 363.521 2.951 10 0 FFAERP C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935241 509505330 /nfs/dbraw/zinc/50/53/30/509505330.db2.gz UOINAWHMMTUSAA-ROUUACIJSA-N 2 0 362.562 2.909 10 0 FFAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)ccc1OC ZINC000183217913 509662804 /nfs/dbraw/zinc/66/28/04/509662804.db2.gz RRBYTAYVCVLTLY-MAUKXSAKSA-N 2 0 357.502 2.794 10 0 FFAERP COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCCC2)cc1 ZINC000170862379 509817427 /nfs/dbraw/zinc/81/74/27/509817427.db2.gz DICYSZMIDYLYDL-UYAOXDASSA-N 2 0 374.529 2.568 10 0 FFAERP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941816 509860688 /nfs/dbraw/zinc/86/06/88/509860688.db2.gz SAXLWRZVPFKPBI-IAGOWNOFSA-N 2 0 361.530 2.601 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000245388009 509891808 /nfs/dbraw/zinc/89/18/08/509891808.db2.gz BGVLSTXMBWOWLO-WOJBJXKFSA-N 2 0 373.545 2.562 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000245460447 509947651 /nfs/dbraw/zinc/94/76/51/509947651.db2.gz FFQKMZIGAMDZDF-IAGOWNOFSA-N 2 0 350.507 2.788 10 0 FFAERP CCC[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000245502443 509970589 /nfs/dbraw/zinc/97/05/89/509970589.db2.gz BXILFVPBPWZZEF-ABSDTBQOSA-N 2 0 361.530 2.642 10 0 FFAERP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000245548976 509996905 /nfs/dbraw/zinc/99/69/05/509996905.db2.gz YOBLMCLADYUXQH-IBGZPJMESA-N 3 0 358.574 2.991 10 0 FFAERP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000190558495 510206615 /nfs/dbraw/zinc/20/66/15/510206615.db2.gz VVPZQXYTUYXQID-OAHLLOKOSA-N 2 0 373.526 2.507 10 0 FFAERP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000178041451 510396892 /nfs/dbraw/zinc/39/68/92/510396892.db2.gz PHFQJCZLGCVCIG-KDURUIRLSA-N 2 0 360.546 2.525 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246274109 510399117 /nfs/dbraw/zinc/39/91/17/510399117.db2.gz BZIMAZFFWBVVMQ-DFQSSKMNSA-N 2 0 362.562 2.765 10 0 FFAERP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000171907010 510444307 /nfs/dbraw/zinc/44/43/07/510444307.db2.gz MITNTWZVDCBLJS-NRFANRHFSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000246704495 510624857 /nfs/dbraw/zinc/62/48/57/510624857.db2.gz ZODUNVCDOUYEMY-JYBIWHBTSA-N 2 0 356.514 2.528 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246784361 510671495 /nfs/dbraw/zinc/67/14/95/510671495.db2.gz INVJCGZVNZJPNY-QFBILLFUSA-N 2 0 362.493 2.513 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246885203 510727398 /nfs/dbraw/zinc/72/73/98/510727398.db2.gz DUIRGFIFUVWENN-IEZWGBDMSA-N 2 0 368.481 2.684 10 0 FFAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000246942373 510759269 /nfs/dbraw/zinc/75/92/69/510759269.db2.gz IXJCEPUSZWOUBL-KLBVCGFUSA-N 2 0 358.530 2.670 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000247084666 510829216 /nfs/dbraw/zinc/82/92/16/510829216.db2.gz JIRREELQALXAEE-HMXCVIKNSA-N 2 0 372.557 2.879 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247582544 510866713 /nfs/dbraw/zinc/86/67/13/510866713.db2.gz YXDLLKSORGPRGX-XLIONFOSSA-N 2 0 358.530 2.996 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175531987 251223539 /nfs/dbraw/zinc/22/35/39/251223539.db2.gz BOXNYPHAYWWLGW-RTBURBONSA-N 2 0 355.486 2.668 10 0 FFAERP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333146563 258252627 /nfs/dbraw/zinc/25/26/27/258252627.db2.gz LXPOBLJKUGPHAU-PBHICJAKSA-N 2 0 374.435 2.555 10 0 FFAERP COc1cc2c(cc1CC[NH+](C)C)[C@H](c1cnc3ccccc3n1)[NH2+]CC2 ZINC000038805261 506444738 /nfs/dbraw/zinc/44/47/38/506444738.db2.gz FRNGHFYOEYUMRQ-JOCHJYFZSA-N 2 0 362.477 2.978 10 0 FFAERP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc(CC(C)C)s3)CC[C@H]21 ZINC000072432784 507790443 /nfs/dbraw/zinc/79/04/43/507790443.db2.gz DWBHXNWLMIFGNF-QFBILLFUSA-N 2 0 363.571 2.979 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000052522934 507812235 /nfs/dbraw/zinc/81/22/35/507812235.db2.gz UBROZMARNCIWNW-FQEVSTJZSA-N 2 0 358.530 2.743 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000052552755 507813319 /nfs/dbraw/zinc/81/33/19/507813319.db2.gz DQYKAGZZMZULQL-IBGZPJMESA-N 2 0 362.493 2.574 10 0 FFAERP COc1cccc([C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+](C)C)c1 ZINC000079222718 507946000 /nfs/dbraw/zinc/94/60/00/507946000.db2.gz BHGHIAXQUZEFET-PKOBYXMFSA-N 2 0 364.534 2.573 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093134994 508123708 /nfs/dbraw/zinc/12/37/08/508123708.db2.gz YPLLNBNFRJMNJP-GOSISDBHSA-N 2 0 361.534 2.574 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1F ZINC000115844398 508446739 /nfs/dbraw/zinc/44/67/39/508446739.db2.gz BVGVFMUKCYKHSX-UHFFFAOYSA-N 2 0 362.493 2.657 10 0 FFAERP C[C@@H]1CCCN(c2cc(NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)ncn2)C1 ZINC000132818612 509078794 /nfs/dbraw/zinc/07/87/94/509078794.db2.gz YRHQZTBUGLNSTC-QRQLOZEOSA-N 2 0 373.545 2.893 10 0 FFAERP CCN(CC)c1ncc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000121079927 509123244 /nfs/dbraw/zinc/12/32/44/509123244.db2.gz YURDGFXFRWOGCU-OAHLLOKOSA-N 2 0 354.564 2.514 10 0 FFAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000247874029 509183655 /nfs/dbraw/zinc/18/36/55/509183655.db2.gz YEQUUIHBEGZHOT-RBUKOAKNSA-N 2 0 373.497 2.669 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000179148758 509287430 /nfs/dbraw/zinc/28/74/30/509287430.db2.gz SWDYIVYWAZAONM-LJQANCHMSA-N 2 0 350.551 2.767 10 0 FFAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248412596 509305619 /nfs/dbraw/zinc/30/56/19/509305619.db2.gz JVBUXWVRDAYECV-YTFSRNRJSA-N 3 0 370.585 2.514 10 0 FFAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641069 509409398 /nfs/dbraw/zinc/40/93/98/509409398.db2.gz CHSNNUUQDVQTKA-CTNGQTDRSA-N 2 0 364.493 2.641 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248724367 509453793 /nfs/dbraw/zinc/45/37/93/509453793.db2.gz HNPZBMJDGCVGPT-YZGWKJHDSA-N 2 0 358.530 2.536 10 0 FFAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248752504 509469254 /nfs/dbraw/zinc/46/92/54/509469254.db2.gz CDEZEWKPGSDQAC-XXTHSBEZSA-N 3 0 370.585 2.798 10 0 FFAERP C[N@H+](C[C@@H](O)CC(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000249382521 509666682 /nfs/dbraw/zinc/66/66/82/509666682.db2.gz QPKDAVQTBPRNQU-ROUUACIJSA-N 2 0 374.447 2.677 10 0 FFAERP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145912 510319457 /nfs/dbraw/zinc/31/94/57/510319457.db2.gz FAJSUAQWMOXJHC-HKUYNNGSSA-N 2 0 352.906 2.635 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)[nH+]1 ZINC000246206696 510362527 /nfs/dbraw/zinc/36/25/27/510362527.db2.gz YSQJPDRYZFDXEP-SJORKVTESA-N 2 0 356.514 2.913 10 0 FFAERP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187976647 510529322 /nfs/dbraw/zinc/52/93/22/510529322.db2.gz UTNMQAAGJDOGGZ-XLIONFOSSA-N 2 0 354.498 2.881 10 0 FFAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC[C@H]21 ZINC000246839414 510702922 /nfs/dbraw/zinc/70/29/22/510702922.db2.gz KJUFBWYNHWPFFN-NHCUHLMSSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000175642905 510708720 /nfs/dbraw/zinc/70/87/20/510708720.db2.gz ZNQUQXFGMFGMBQ-HLAWJBBLSA-N 2 0 370.541 2.919 10 0 FFAERP Cc1ccc(-c2cc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)on2)cc1 ZINC000333883090 511381682 /nfs/dbraw/zinc/38/16/82/511381682.db2.gz VAWNYGIJTCKCOM-QUCCMNQESA-N 2 0 353.466 2.850 10 0 FFAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582430792 518750274 /nfs/dbraw/zinc/75/02/74/518750274.db2.gz HYTFTUPVOYBFGS-PCCBWWKXSA-N 2 0 355.526 2.889 10 0 FFAERP COCCn1c(C)c(C)n(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1=S ZINC000176078416 729108278 /nfs/dbraw/zinc/10/82/78/729108278.db2.gz POZZAHIUAKMMPC-QGZVFWFLSA-N 2 0 363.531 2.909 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000106124470 250240545 /nfs/dbraw/zinc/24/05/45/250240545.db2.gz XEYKMLYNDVGCJT-CQSZACIVSA-N 2 0 364.921 2.751 10 0 FFAERP Cc1nc2c(c(N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)n1)CCCC2 ZINC000302081672 258086889 /nfs/dbraw/zinc/08/68/89/258086889.db2.gz JJABIRSQZYRBNX-SFTDATJTSA-N 2 0 364.493 2.753 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](C)C[C@@H]3C[NH3+])CC2)CC1 ZINC000333126315 258251367 /nfs/dbraw/zinc/25/13/67/258251367.db2.gz BCMZGQROQGEARU-LWSMDNFKSA-N 2 0 350.551 2.798 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000068587625 507279710 /nfs/dbraw/zinc/27/97/10/507279710.db2.gz TXOXMBCACTXNPU-GOSISDBHSA-N 2 0 366.937 2.898 10 0 FFAERP CN(c1ccccc1CN1CC[N@@H+]2CCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000092616138 508087926 /nfs/dbraw/zinc/08/79/26/508087926.db2.gz KFGBJYPREOZFHU-OAQYLSRUSA-N 2 0 356.558 2.887 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000113589848 508274784 /nfs/dbraw/zinc/27/47/84/508274784.db2.gz VKQGAGHYSDBOFE-FXAWDEMLSA-N 2 0 356.514 2.661 10 0 FFAERP COc1ccc(CN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000247956286 509199645 /nfs/dbraw/zinc/19/96/45/509199645.db2.gz FQEOIKIRDUGFRP-GHTZIAJQSA-N 2 0 371.525 2.602 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000162514341 509241174 /nfs/dbraw/zinc/24/11/74/509241174.db2.gz OXGSLMDSDNNJNT-IKGGRYGDSA-N 2 0 364.559 2.913 10 0 FFAERP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000179516472 509491505 /nfs/dbraw/zinc/49/15/05/509491505.db2.gz XEEKKKBXEDVFCA-QGZVFWFLSA-N 2 0 356.514 2.910 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000249808882 509766916 /nfs/dbraw/zinc/76/69/16/509766916.db2.gz XWEOZIVIBAIFHZ-HZPDHXFCSA-N 2 0 350.532 2.669 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000170835390 509801588 /nfs/dbraw/zinc/80/15/88/509801588.db2.gz NGUQNUKXGYUPCX-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP O=C(CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2)NCC1CC1 ZINC000257190133 509952529 /nfs/dbraw/zinc/95/25/29/509952529.db2.gz OKAPPTLFUMLGOY-PCCBWWKXSA-N 2 0 355.526 2.793 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245546466 509995000 /nfs/dbraw/zinc/99/50/00/509995000.db2.gz DIIWBQCLLQPOAO-BZSNNMDCSA-N 2 0 364.921 2.869 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187220933 510133472 /nfs/dbraw/zinc/13/34/72/510133472.db2.gz UOGMJHFKGZIHFQ-QGZVFWFLSA-N 2 0 374.504 2.595 10 0 FFAERP CCc1nn(C)c(Cl)c1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481982 510155579 /nfs/dbraw/zinc/15/55/79/510155579.db2.gz DJMDMRXCWLRZEL-MRXNPFEDSA-N 2 0 361.921 2.985 10 0 FFAERP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246412955 510476517 /nfs/dbraw/zinc/47/65/17/510476517.db2.gz LJVBLBPSXXDEDA-PMACEKPBSA-N 2 0 356.514 2.703 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000246461703 510502236 /nfs/dbraw/zinc/50/22/36/510502236.db2.gz VATMGIYIYVATEU-FGTMMUONSA-N 2 0 362.518 2.931 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000175559175 510679933 /nfs/dbraw/zinc/67/99/33/510679933.db2.gz ZXXVUFLSFWAREO-HXUWFJFHSA-N 2 0 372.488 2.860 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000175639739 510707982 /nfs/dbraw/zinc/70/79/82/510707982.db2.gz XOKCZWHWQQWKAJ-JYRKZWEQSA-N 2 0 370.541 2.918 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000246974672 510777760 /nfs/dbraw/zinc/77/77/60/510777760.db2.gz DTKOMFTYPGGPHP-IXDOHACOSA-N 2 0 362.543 2.763 10 0 FFAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000247053141 510818966 /nfs/dbraw/zinc/81/89/66/510818966.db2.gz NQCOJJLKALZKRG-DNVCBOLYSA-N 2 0 358.461 2.542 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247444136 510860978 /nfs/dbraw/zinc/86/09/78/510860978.db2.gz SFGRONJKLWLNRT-NQIIRXRSSA-N 2 0 372.557 2.987 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000247529319 510864418 /nfs/dbraw/zinc/86/44/18/510864418.db2.gz XJTKTMSMRZLALC-YZGWKJHDSA-N 2 0 356.514 2.702 10 0 FFAERP CC(=O)N1CCC([N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)CC1 ZINC000012579668 220009411 /nfs/dbraw/zinc/00/94/11/220009411.db2.gz KQRPYEDVDHLKFO-UHFFFAOYSA-N 2 0 357.542 2.884 10 0 FFAERP O[C@@H](COc1ccc(C[NH2+]CC2CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000012759015 220025764 /nfs/dbraw/zinc/02/57/64/220025764.db2.gz MTCDMOBLFKRZMS-JOCHJYFZSA-N 2 0 366.505 2.984 10 0 FFAERP C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089732721 249855751 /nfs/dbraw/zinc/85/57/51/249855751.db2.gz SBEYTFMQIKGMPR-PKOBYXMFSA-N 2 0 369.513 2.737 10 0 FFAERP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330171031 258157770 /nfs/dbraw/zinc/15/77/70/258157770.db2.gz DZXOPPVRSXALDT-LVCYWYKZSA-N 2 0 367.497 2.969 10 0 FFAERP CN(Cc1nc2cccnc2s1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333011022 258244772 /nfs/dbraw/zinc/24/47/72/258244772.db2.gz FVQCEYNRIULNAP-KBXCAEBGSA-N 2 0 370.526 2.940 10 0 FFAERP CSCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012049289 506808997 /nfs/dbraw/zinc/80/89/97/506808997.db2.gz RCNQFUHJOVSKJV-SFHVURJKSA-N 2 0 352.544 2.755 10 0 FFAERP CC1CC[NH+](CCCNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000108470950 507896078 /nfs/dbraw/zinc/89/60/78/507896078.db2.gz XTFUMTVQJWBYEL-FQEVSTJZSA-N 2 0 360.546 2.581 10 0 FFAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105129894 508362207 /nfs/dbraw/zinc/36/22/07/508362207.db2.gz ZTRZBLWXNUOPDF-UXHICEINSA-N 2 0 356.514 2.703 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000106434305 508400770 /nfs/dbraw/zinc/40/07/70/508400770.db2.gz YJIWOXQIOXKRHN-LEWJYISDSA-N 2 0 353.510 2.887 10 0 FFAERP C[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000121959964 508457431 /nfs/dbraw/zinc/45/74/31/508457431.db2.gz ZYBWJEJZCGQWCT-QGZVFWFLSA-N 2 0 366.509 2.648 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116535513 508526381 /nfs/dbraw/zinc/52/63/81/508526381.db2.gz YXDLLKSORGPRGX-PXNSSMCTSA-N 2 0 358.530 2.996 10 0 FFAERP CN1CCN(c2ncc(CN3CC=C(c4ccccc4F)CC3)cn2)CC1 ZINC000137028519 508733272 /nfs/dbraw/zinc/73/32/72/508733272.db2.gz FKFUSZQHSSHEOL-UHFFFAOYSA-N 2 0 367.472 2.657 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000130815438 508851220 /nfs/dbraw/zinc/85/12/20/508851220.db2.gz KCKNUDNKPGUIEJ-IPMKNSEASA-N 2 0 350.551 2.623 10 0 FFAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000151900148 509106909 /nfs/dbraw/zinc/10/69/09/509106909.db2.gz LCEMVKPETPMZPP-SFTDATJTSA-N 2 0 356.514 2.906 10 0 FFAERP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1-c1ccccc1 ZINC000121118191 509132231 /nfs/dbraw/zinc/13/22/31/509132231.db2.gz GFAWUKPKMBCEEF-QGZVFWFLSA-N 2 0 356.514 2.705 10 0 FFAERP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)C1 ZINC000248599978 509382753 /nfs/dbraw/zinc/38/27/53/509382753.db2.gz UTXMESCHCFFWBL-IFMALSPDSA-N 2 0 359.558 2.592 10 0 FFAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccn1C ZINC000182862295 509464186 /nfs/dbraw/zinc/46/41/86/509464186.db2.gz OBJXLEYGIGIIDB-WOJBJXKFSA-N 2 0 356.514 2.906 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000249034245 509577804 /nfs/dbraw/zinc/57/78/04/509577804.db2.gz MLJSXPLTLYKKFP-QZTJIDSGSA-N 2 0 353.551 2.599 10 0 FFAERP COc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000237370029 509633682 /nfs/dbraw/zinc/63/36/82/509633682.db2.gz AHRCNEIQHNHHEX-HXUWFJFHSA-N 2 0 355.482 2.625 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177050891 509840156 /nfs/dbraw/zinc/84/01/56/509840156.db2.gz CBUMNFGNMVSJJZ-FQEVSTJZSA-N 2 0 357.473 2.547 10 0 FFAERP Cc1noc([C@@]23CN(Cc4cccnc4)C[C@@H]2CC[N@@H+](CC(C)C)C3)n1 ZINC000257184605 509948659 /nfs/dbraw/zinc/94/86/59/509948659.db2.gz ISPADBNWOVMHLS-ICSRJNTNSA-N 2 0 355.486 2.505 10 0 FFAERP COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000245506751 509972646 /nfs/dbraw/zinc/97/26/46/509972646.db2.gz ONYQWKXMPNQFNL-GOSISDBHSA-N 2 0 359.514 2.602 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803326 510078448 /nfs/dbraw/zinc/07/84/48/510078448.db2.gz AGNLHFPZFPOWFQ-VXKWHMMOSA-N 2 0 365.521 2.798 10 0 FFAERP C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000190654918 510264346 /nfs/dbraw/zinc/26/43/46/510264346.db2.gz ASCNTSKHVGBABH-AZUAARDMSA-N 2 0 358.530 2.626 10 0 FFAERP C[C@@H](C(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000190712853 510299517 /nfs/dbraw/zinc/29/95/17/510299517.db2.gz KESPZJYIYUGPAM-HLNWXESRSA-N 2 0 358.530 2.623 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000247269556 510854818 /nfs/dbraw/zinc/85/48/18/510854818.db2.gz JVUJUWDKGUOXKU-HLAWJBBLSA-N 2 0 372.557 2.579 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000247277767 510855246 /nfs/dbraw/zinc/85/52/46/510855246.db2.gz KEIGJKODWKKTJR-YLJYHZDGSA-N 2 0 358.530 2.810 10 0 FFAERP Cc1nc(CN2CCC(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)cs1 ZINC000247359624 510858565 /nfs/dbraw/zinc/85/85/65/510858565.db2.gz OMKUHBKMBVYDEE-RDTXWAMCSA-N 2 0 364.559 2.508 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247494619 510863133 /nfs/dbraw/zinc/86/31/33/510863133.db2.gz UNUYXAKAIKUJMC-MSOLQXFVSA-N 2 0 371.529 2.529 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000247513184 510863809 /nfs/dbraw/zinc/86/38/09/510863809.db2.gz YNTGHZDDMKLBCZ-YZGWKJHDSA-N 2 0 358.530 2.851 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000247656992 510868082 /nfs/dbraw/zinc/86/80/82/510868082.db2.gz YSLAPRCFHDOVHB-PMACEKPBSA-N 2 0 356.514 2.622 10 0 FFAERP Cn1ccnc1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328651870 511907962 /nfs/dbraw/zinc/90/79/62/511907962.db2.gz WCLSPODVZWJWSN-QRVBRYPASA-N 2 0 364.493 2.695 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000248853421 729611910 /nfs/dbraw/zinc/61/19/10/729611910.db2.gz JLCMVPZLGPABPX-KGLIPLIRSA-N 2 0 373.950 2.525 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103305851 250145230 /nfs/dbraw/zinc/14/52/30/250145230.db2.gz LDJFZKQKWXYNRK-OAQYLSRUSA-N 2 0 372.557 2.726 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106126712 250240934 /nfs/dbraw/zinc/24/09/34/250240934.db2.gz HRXLVSNZAPMNSX-GJZGRUSLSA-N 2 0 367.921 2.692 10 0 FFAERP OC[C@@H]1[NH2+][C@H](c2ccc(-n3ccnc3)cc2)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000065508782 221228091 /nfs/dbraw/zinc/22/80/91/221228091.db2.gz FPQLTUWHXJWWCM-GSPCLOLRSA-N 2 0 374.488 2.626 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000062641364 507679293 /nfs/dbraw/zinc/67/92/93/507679293.db2.gz HURXGCVSTIFPQK-AZUAARDMSA-N 2 0 374.529 2.616 10 0 FFAERP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc2)CC1 ZINC000074229878 508000741 /nfs/dbraw/zinc/00/07/41/508000741.db2.gz CJXZAPRJQMOCFU-LJQANCHMSA-N 2 0 360.546 2.535 10 0 FFAERP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105091435 508360272 /nfs/dbraw/zinc/36/02/72/508360272.db2.gz ICFWLWFRJUJUST-FQEVSTJZSA-N 2 0 356.514 2.662 10 0 FFAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000105215527 508366337 /nfs/dbraw/zinc/36/63/37/508366337.db2.gz KZOSRPZIUQCZQM-IBGZPJMESA-N 2 0 350.551 2.768 10 0 FFAERP Cn1cc([C@H]2CCC[N@@H+]2CCCC[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157888375 508627528 /nfs/dbraw/zinc/62/75/28/508627528.db2.gz SNMQEKXOZDYXCW-BGYRXZFFSA-N 2 0 356.518 2.908 10 0 FFAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC(F)F)c1 ZINC000121094118 509126958 /nfs/dbraw/zinc/12/69/58/509126958.db2.gz MJRDCJFFIQQVKX-CQSZACIVSA-N 2 0 372.456 2.821 10 0 FFAERP C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935223 509505532 /nfs/dbraw/zinc/50/55/32/509505532.db2.gz UOINAWHMMTUSAA-QZTJIDSGSA-N 2 0 362.562 2.909 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3n2C(F)F)CC1 ZINC000173335295 509538273 /nfs/dbraw/zinc/53/82/73/509538273.db2.gz HGKPISBWVBDCAV-CQSZACIVSA-N 2 0 366.456 2.956 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176503385 509548213 /nfs/dbraw/zinc/54/82/13/509548213.db2.gz VZLNRJVTDVOWPX-LJQANCHMSA-N 2 0 350.551 2.909 10 0 FFAERP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC000249105694 509606401 /nfs/dbraw/zinc/60/64/01/509606401.db2.gz QHIGHDAQJHBXSB-ACWOFJMJSA-N 2 0 365.468 2.552 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000249756632 509755175 /nfs/dbraw/zinc/75/51/75/509755175.db2.gz HURXGCVSTIFPQK-UYAOXDASSA-N 2 0 374.529 2.616 10 0 FFAERP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000170941840 509860905 /nfs/dbraw/zinc/86/09/05/509860905.db2.gz NHQOHMXQLNAGCW-AEFFLSMTSA-N 2 0 361.530 2.655 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000245480807 509960160 /nfs/dbraw/zinc/96/01/60/509960160.db2.gz XPNHBRRPHFKVRH-WOJBJXKFSA-N 2 0 358.530 2.949 10 0 FFAERP Cc1nccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245641537 510055625 /nfs/dbraw/zinc/05/56/25/510055625.db2.gz KOUBFWSFTPDAPR-MOPGFXCFSA-N 2 0 355.486 2.716 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000177462095 510075378 /nfs/dbraw/zinc/07/53/78/510075378.db2.gz HNLDKLJYCBMYAT-ROUUACIJSA-N 2 0 362.518 2.851 10 0 FFAERP CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245764325 510134889 /nfs/dbraw/zinc/13/48/89/510134889.db2.gz WCLNSBTZZJTZKZ-WTGUMLROSA-N 2 0 365.525 2.941 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000190494579 510165305 /nfs/dbraw/zinc/16/53/05/510165305.db2.gz BLVAKFHQAFRGLY-SFHVURJKSA-N 2 0 353.551 2.600 10 0 FFAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000245893485 510191125 /nfs/dbraw/zinc/19/11/25/510191125.db2.gz CPJKKMNPQKPROM-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171598406 510244991 /nfs/dbraw/zinc/24/49/91/510244991.db2.gz DIHPHXTUDSYISH-FQEVSTJZSA-N 2 0 356.514 2.662 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)[nH+]1 ZINC000171653404 510284965 /nfs/dbraw/zinc/28/49/65/510284965.db2.gz BGBSWVHZTCVTDZ-SFHVURJKSA-N 2 0 364.493 2.709 10 0 FFAERP Cc1cc(C)c(NC(=O)CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c(C)c1 ZINC000174873750 510358345 /nfs/dbraw/zinc/35/83/45/510358345.db2.gz GDCNNJLNRDHDQJ-FQEVSTJZSA-N 2 0 372.557 2.652 10 0 FFAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000246355207 510444850 /nfs/dbraw/zinc/44/48/50/510444850.db2.gz PLSRFTUWXNDJPQ-GHTZIAJQSA-N 2 0 372.557 2.880 10 0 FFAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000172189844 510590398 /nfs/dbraw/zinc/59/03/98/510590398.db2.gz XHSVDVCALANVMM-YLJYHZDGSA-N 2 0 356.514 2.702 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000246887984 510729191 /nfs/dbraw/zinc/72/91/91/510729191.db2.gz DXKBVENSNPLRPO-HLIPFELVSA-N 2 0 354.498 2.964 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000247001365 510792734 /nfs/dbraw/zinc/79/27/34/510792734.db2.gz GWRQGZOQRSOJQY-IMFGXOCKSA-N 2 0 361.505 2.883 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000247073164 510826729 /nfs/dbraw/zinc/82/67/29/510826729.db2.gz VAYZSDQFJONYQX-FHWLQOOXSA-N 2 0 350.551 2.767 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247396929 510859516 /nfs/dbraw/zinc/85/95/16/510859516.db2.gz PCGCWQWMPQXFHF-YZGWKJHDSA-N 2 0 356.514 2.702 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247396925 510859621 /nfs/dbraw/zinc/85/96/21/510859621.db2.gz PCGCWQWMPQXFHF-MISYRCLQSA-N 2 0 356.514 2.702 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000634724011 523612381 /nfs/dbraw/zinc/61/23/81/523612381.db2.gz HUJOYMFGGAKJBU-HOJAQTOUSA-N 2 0 358.482 2.515 10 0 FFAERP Cc1ccc(OCC[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc1 ZINC000014958643 220136591 /nfs/dbraw/zinc/13/65/91/220136591.db2.gz BTKMINHZQRPGIO-FQEVSTJZSA-N 2 0 372.509 2.807 10 0 FFAERP Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000092764610 250001005 /nfs/dbraw/zinc/00/10/05/250001005.db2.gz XBVYIVMUBYZLSN-DLBZAZTESA-N 2 0 360.502 2.636 10 0 FFAERP C[N@H+](CCOCC(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127273 250241369 /nfs/dbraw/zinc/24/13/69/250241369.db2.gz XVXASXSASRAFKZ-SFHVURJKSA-N 2 0 374.447 2.943 10 0 FFAERP [NH3+]Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)cc1 ZINC000067834409 221292388 /nfs/dbraw/zinc/29/23/88/221292388.db2.gz NPEBDRQSLUAZNI-JOCHJYFZSA-N 2 0 373.541 2.559 10 0 FFAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])COc1ccc(Br)cc1 ZINC000011848801 506799847 /nfs/dbraw/zinc/79/98/47/506799847.db2.gz FWKLQVRXQCDAIZ-HNNXBMFYSA-N 2 0 352.276 2.891 10 0 FFAERP C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000108747835 507916097 /nfs/dbraw/zinc/91/60/97/507916097.db2.gz AXSIQMMQVKNKRO-UYAOXDASSA-N 2 0 360.546 2.581 10 0 FFAERP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC([NH+]2CCCC2)CC1 ZINC000079285846 507950726 /nfs/dbraw/zinc/95/07/26/507950726.db2.gz LXFBPEWNZJZZQI-UHFFFAOYSA-N 2 0 370.541 2.705 10 0 FFAERP CCOc1cc2[nH+]ccc(N3CCO[C@@H](C[NH+](C)C)C3)c2cc1OCC ZINC000112333094 508175719 /nfs/dbraw/zinc/17/57/19/508175719.db2.gz ITIGSCCFLUCUTO-HNNXBMFYSA-N 2 0 359.470 2.799 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000105118895 508361697 /nfs/dbraw/zinc/36/16/97/508361697.db2.gz LYTWYWHQQAOVFA-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105113535 508361868 /nfs/dbraw/zinc/36/18/68/508361868.db2.gz QFAOCGXMJUUTKD-HXUWFJFHSA-N 2 0 358.530 2.907 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248087854 509231749 /nfs/dbraw/zinc/23/17/49/509231749.db2.gz SYBWGNAUJYTZEQ-YZGWKJHDSA-N 2 0 356.514 2.559 10 0 FFAERP CC[C@H](C)NC(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248646469 509412980 /nfs/dbraw/zinc/41/29/80/509412980.db2.gz HNHPBFXTRPKVAA-BPUTZDHNSA-N 2 0 352.548 2.508 10 0 FFAERP C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182935203 509505579 /nfs/dbraw/zinc/50/55/79/509505579.db2.gz UOINAWHMMTUSAA-ZWKOTPCHSA-N 2 0 362.562 2.909 10 0 FFAERP O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048923 509583601 /nfs/dbraw/zinc/58/36/01/509583601.db2.gz WYXZXQXEYWMGDI-YUMYIRISSA-N 2 0 357.542 2.618 10 0 FFAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000192793861 509647428 /nfs/dbraw/zinc/64/74/28/509647428.db2.gz YPIXUFZHASQENP-IBGZPJMESA-N 2 0 355.530 2.939 10 0 FFAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCOCC3)[C@H](C)C1 ZINC000186339977 509657719 /nfs/dbraw/zinc/65/77/19/509657719.db2.gz CDGAXSKTSGJGCV-WCIQWLHISA-N 2 0 368.562 2.687 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000249754583 509755416 /nfs/dbraw/zinc/75/54/16/509755416.db2.gz GGCNWWMVLHZGNI-IAGOWNOFSA-N 2 0 352.548 2.915 10 0 FFAERP OCCC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257189509 509951833 /nfs/dbraw/zinc/95/18/33/509951833.db2.gz JBNBJZUZNLYKAS-OAQYLSRUSA-N 2 0 368.525 2.925 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)[C@@H]2CCCO[C@H]21 ZINC000245968396 510232567 /nfs/dbraw/zinc/23/25/67/510232567.db2.gz ZJBLSXTXBHKSPF-PWRODBHTSA-N 2 0 358.526 2.937 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000246144545 510319244 /nfs/dbraw/zinc/31/92/44/510319244.db2.gz JTKGGMKEOUNOJQ-QYZOEREBSA-N 2 0 362.493 2.697 10 0 FFAERP COc1cccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246407821 510472313 /nfs/dbraw/zinc/47/23/13/510472313.db2.gz BHHLHJCSXFNLOX-JXFKEZNVSA-N 2 0 357.498 2.973 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000246511086 510528252 /nfs/dbraw/zinc/52/82/52/510528252.db2.gz UCYIUPDZTSCRGU-ICSRJNTNSA-N 2 0 371.529 2.566 10 0 FFAERP CCOc1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246574061 510563306 /nfs/dbraw/zinc/56/33/06/510563306.db2.gz LNLZWSFDWCPNEB-QFBILLFUSA-N 2 0 357.498 2.973 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175381946 510618021 /nfs/dbraw/zinc/61/80/21/510618021.db2.gz NOZKJTZPQNJXJT-FQEVSTJZSA-N 2 0 358.530 2.777 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246752097 510653312 /nfs/dbraw/zinc/65/33/12/510653312.db2.gz AEVDJFPGJRWQLA-PXNSSMCTSA-N 2 0 356.514 2.661 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247197314 510850639 /nfs/dbraw/zinc/85/06/39/510850639.db2.gz LMZYQJWYUGJYMO-NQIIRXRSSA-N 2 0 370.541 2.838 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000247294543 510855730 /nfs/dbraw/zinc/85/57/30/510855730.db2.gz KZHSRUMZPBCHEH-GHTZIAJQSA-N 2 0 372.557 2.927 10 0 FFAERP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247770654 510869808 /nfs/dbraw/zinc/86/98/08/510869808.db2.gz PBESNFHTFDMTCT-DLBZAZTESA-N 2 0 361.530 2.601 10 0 FFAERP C[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000333349663 511212317 /nfs/dbraw/zinc/21/23/17/511212317.db2.gz RFGOTCBXEBDIMD-CYBMUJFWSA-N 2 0 366.893 2.639 10 0 FFAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912648 514285918 /nfs/dbraw/zinc/28/59/18/514285918.db2.gz WLRATODPMNMCJR-FYZZASKESA-N 2 0 355.526 2.888 10 0 FFAERP C[C@@H]1CCC[N@@H+]1CCCOc1ccc(N2C[C@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000584656550 518419580 /nfs/dbraw/zinc/41/95/80/518419580.db2.gz UMBIUKXYVHZHEH-DYESRHJHSA-N 2 0 357.498 2.656 10 0 FFAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582430791 518750182 /nfs/dbraw/zinc/75/01/82/518750182.db2.gz HYTFTUPVOYBFGS-HBMCJLEFSA-N 2 0 355.526 2.889 10 0 FFAERP CCOCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1CC ZINC000181689422 729255407 /nfs/dbraw/zinc/25/54/07/729255407.db2.gz NTVUYGXXNAHERO-FQEVSTJZSA-N 2 0 351.510 2.690 10 0 FFAERP [NH3+]Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)cc1 ZINC000067834410 221292411 /nfs/dbraw/zinc/29/24/11/221292411.db2.gz NPEBDRQSLUAZNI-QFIPXVFZSA-N 2 0 373.541 2.559 10 0 FFAERP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111631519 508111875 /nfs/dbraw/zinc/11/18/75/508111875.db2.gz HUDSDPPXSSUHDJ-WIYYLYMNSA-N 2 0 353.510 2.796 10 0 FFAERP CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000154569551 508811210 /nfs/dbraw/zinc/81/12/10/508811210.db2.gz YSAWZANSYVLNQD-LIRRHRJNSA-N 2 0 354.454 2.886 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000121124109 509132686 /nfs/dbraw/zinc/13/26/86/509132686.db2.gz NNMQWEIGPBERFL-OAHLLOKOSA-N 2 0 360.477 2.740 10 0 FFAERP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC(F)(F)F ZINC000248392827 509289937 /nfs/dbraw/zinc/28/99/37/509289937.db2.gz DIAQSYONQYQFGS-GVDBMIGSSA-N 2 0 369.431 2.555 10 0 FFAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000248641072 509408440 /nfs/dbraw/zinc/40/84/40/509408440.db2.gz CHSNNUUQDVQTKA-FPOVZHCZSA-N 2 0 364.493 2.641 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3ccccc3n2C(F)F)CC1 ZINC000173335282 509538667 /nfs/dbraw/zinc/53/86/67/509538667.db2.gz HGKPISBWVBDCAV-AWEZNQCLSA-N 2 0 366.456 2.956 10 0 FFAERP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000170862961 509818081 /nfs/dbraw/zinc/81/80/81/509818081.db2.gz RMBIFVRPOIHTQH-IAGOWNOFSA-N 2 0 364.559 2.867 10 0 FFAERP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941817 509860182 /nfs/dbraw/zinc/86/01/82/509860182.db2.gz SAXLWRZVPFKPBI-SJORKVTESA-N 2 0 361.530 2.601 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245416153 509918073 /nfs/dbraw/zinc/91/80/73/509918073.db2.gz HNYPVHQDVJLBIR-WOJBJXKFSA-N 2 0 358.530 2.949 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000245898262 510193665 /nfs/dbraw/zinc/19/36/65/510193665.db2.gz AHRYMDHPNMRRJF-FUHIMQAGSA-N 2 0 373.545 2.635 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000194145116 510236798 /nfs/dbraw/zinc/23/67/98/510236798.db2.gz GGCNWWMVLHZGNI-SJORKVTESA-N 2 0 352.548 2.915 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000246103329 510295824 /nfs/dbraw/zinc/29/58/24/510295824.db2.gz IFOCPQVYFQZKGG-AEFFLSMTSA-N 2 0 370.472 2.968 10 0 FFAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177882706 510307427 /nfs/dbraw/zinc/30/74/27/510307427.db2.gz CVLIYNXSNKAKCW-KKSFZXQISA-N 2 0 356.514 2.825 10 0 FFAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCC[N@H+](CC)C3)c(C)c2)CC1 ZINC000194324342 510313634 /nfs/dbraw/zinc/31/36/34/510313634.db2.gz SYNOWAQKAXWHSY-SFHVURJKSA-N 2 0 373.545 2.743 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000246411102 510474379 /nfs/dbraw/zinc/47/43/79/510474379.db2.gz SATAVXUYPWQQDY-SOLBZPMBSA-N 2 0 364.559 2.915 10 0 FFAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912807 510740764 /nfs/dbraw/zinc/74/07/64/510740764.db2.gz MRQJGNPAPQSILZ-CZUORRHYSA-N 2 0 366.303 2.804 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000247505769 510863529 /nfs/dbraw/zinc/86/35/29/510863529.db2.gz VKQGAGHYSDBOFE-PXNSSMCTSA-N 2 0 356.514 2.661 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000247541844 510864967 /nfs/dbraw/zinc/86/49/67/510864967.db2.gz YMRWMTIPQLEYKD-NQIIRXRSSA-N 2 0 370.541 2.572 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247556715 510865536 /nfs/dbraw/zinc/86/55/36/510865536.db2.gz ZSVVSWJZZZUFTQ-PXNSSMCTSA-N 2 0 358.530 2.905 10 0 FFAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000247685698 510868487 /nfs/dbraw/zinc/86/84/87/510868487.db2.gz UXQONDZYBCPELL-LEWJYISDSA-N 2 0 373.541 2.564 10 0 FFAERP COc1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000888097424 734011554 /nfs/dbraw/zinc/01/15/54/734011554.db2.gz ISDFOHVYTFBFOX-ZAWLATJESA-N 2 0 352.906 2.918 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106126714 250241582 /nfs/dbraw/zinc/24/15/82/250241582.db2.gz HRXLVSNZAPMNSX-CABCVRRESA-N 2 0 367.921 2.692 10 0 FFAERP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333162119 258253251 /nfs/dbraw/zinc/25/32/51/258253251.db2.gz OCIGGJYMGIMWQX-MSOLQXFVSA-N 2 0 372.900 2.931 10 0 FFAERP C[C@@H]1CC(CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)C[C@@H](C)C1 ZINC000375336157 512273842 /nfs/dbraw/zinc/27/38/42/512273842.db2.gz HMLYVFLRABKALM-PMACEKPBSA-N 2 0 351.579 2.789 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000067773999 507003794 /nfs/dbraw/zinc/00/37/94/507003794.db2.gz PZCBBVUZZJBJGT-FQEVSTJZSA-N 2 0 358.530 2.682 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000068587648 507281346 /nfs/dbraw/zinc/28/13/46/507281346.db2.gz UIYIZTUKQCIFIX-KRWDZBQOSA-N 2 0 368.472 2.522 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000073503493 507927188 /nfs/dbraw/zinc/92/71/88/507927188.db2.gz RCOUVOLLMRGQAA-DLBZAZTESA-N 2 0 350.507 2.707 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113600731 508275377 /nfs/dbraw/zinc/27/53/77/508275377.db2.gz NMWBCKVDTXPBLX-LJQANCHMSA-N 2 0 358.530 2.777 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000132381499 509023516 /nfs/dbraw/zinc/02/35/16/509023516.db2.gz KBMBTSOGDJJNTB-ICSRJNTNSA-N 2 0 358.530 2.633 10 0 FFAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC(F)F)c1 ZINC000121093957 509127152 /nfs/dbraw/zinc/12/71/52/509127152.db2.gz MJRDCJFFIQQVKX-AWEZNQCLSA-N 2 0 372.456 2.821 10 0 FFAERP CCC[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161539606 509127316 /nfs/dbraw/zinc/12/73/16/509127316.db2.gz JQPRBARNRNXPBB-NRFANRHFSA-N 2 0 374.573 2.744 10 0 FFAERP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC(F)(F)F ZINC000248392826 509289663 /nfs/dbraw/zinc/28/96/63/509289663.db2.gz DIAQSYONQYQFGS-BRWVUGGUSA-N 2 0 369.431 2.555 10 0 FFAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000248457701 509331587 /nfs/dbraw/zinc/33/15/87/509331587.db2.gz UARUVTHYFSVRJD-NCYKPQTJSA-N 2 0 356.510 2.691 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)c2)CC1 ZINC000248572595 509371834 /nfs/dbraw/zinc/37/18/34/509371834.db2.gz NDKJSHDEDIJNTD-YLJYHZDGSA-N 2 0 373.545 2.679 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(F)cc2Cl)CC1 ZINC000179608339 509533793 /nfs/dbraw/zinc/53/37/93/509533793.db2.gz QTGFVENMWDVEDB-CQSZACIVSA-N 2 0 358.885 2.883 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186344177 509661278 /nfs/dbraw/zinc/66/12/78/509661278.db2.gz MYDBOUPLBJJBOH-MRXNPFEDSA-N 2 0 362.514 2.856 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000249754580 509754777 /nfs/dbraw/zinc/75/47/77/509754777.db2.gz GGCNWWMVLHZGNI-DLBZAZTESA-N 2 0 352.548 2.915 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000245416147 509917811 /nfs/dbraw/zinc/91/78/11/509917811.db2.gz HNLDKLJYCBMYAT-ZWKOTPCHSA-N 2 0 362.518 2.851 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000245460446 509948264 /nfs/dbraw/zinc/94/82/64/509948264.db2.gz FFQKMZIGAMDZDF-DLBZAZTESA-N 2 0 350.507 2.788 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803361 510078898 /nfs/dbraw/zinc/07/88/98/510078898.db2.gz AGNLHFPZFPOWFQ-FGZHOGPDSA-N 2 0 365.521 2.798 10 0 FFAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000194449242 510369468 /nfs/dbraw/zinc/36/94/68/510369468.db2.gz PVZQRFXZKJTJGN-FQEVSTJZSA-N 2 0 370.541 2.778 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000246238263 510383419 /nfs/dbraw/zinc/38/34/19/510383419.db2.gz NPCVQMDHPCEHLT-IEBWSBKVSA-N 2 0 373.545 2.679 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000175136487 510499081 /nfs/dbraw/zinc/49/90/81/510499081.db2.gz NALKIRVKPGCWNT-RTBURBONSA-N 2 0 350.551 2.911 10 0 FFAERP CCc1noc([C@H](C)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214983 258158954 /nfs/dbraw/zinc/15/89/54/258158954.db2.gz GPLVNRXOWLXOJZ-XHSDSOJGSA-N 2 0 350.507 2.904 10 0 FFAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000109544849 507968454 /nfs/dbraw/zinc/96/84/54/507968454.db2.gz UJJYPARXGSLOQT-MOPGFXCFSA-N 2 0 373.541 2.687 10 0 FFAERP COc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000076392305 508199095 /nfs/dbraw/zinc/19/90/95/508199095.db2.gz CMKZCLYNLBPXBP-HKUYNNGSSA-N 2 0 373.541 2.862 10 0 FFAERP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000105215522 508365771 /nfs/dbraw/zinc/36/57/71/508365771.db2.gz KZOSRPZIUQCZQM-LJQANCHMSA-N 2 0 350.551 2.768 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000106125260 508395957 /nfs/dbraw/zinc/39/59/57/508395957.db2.gz FEZMMLOGKHGBFS-HNNXBMFYSA-N 2 0 367.921 2.693 10 0 FFAERP CC[NH+]1CCN(c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)CC1 ZINC000118785998 508672127 /nfs/dbraw/zinc/67/21/27/508672127.db2.gz NSANOACQWCPGSX-UHFFFAOYSA-N 2 0 370.541 2.529 10 0 FFAERP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000154540163 508805878 /nfs/dbraw/zinc/80/58/78/508805878.db2.gz QMIUHNUHFOJRKE-HOCLYGCPSA-N 2 0 372.469 2.700 10 0 FFAERP CCc1cc(N(C)CC2CC[NH+](CC(=O)NC)CC2)c2ccccc2[nH+]1 ZINC000125391694 508976528 /nfs/dbraw/zinc/97/65/28/508976528.db2.gz COCQWALMPDIPTH-UHFFFAOYSA-N 2 0 354.498 2.691 10 0 FFAERP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000151924266 509111898 /nfs/dbraw/zinc/11/18/98/509111898.db2.gz NVVQJBWYIXUMNA-UWJYYQICSA-N 2 0 356.514 2.999 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247918538 509191023 /nfs/dbraw/zinc/19/10/23/509191023.db2.gz BIHDGGKCTPLXIO-ZRNYENFQSA-N 2 0 356.514 2.700 10 0 FFAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000247975463 509206422 /nfs/dbraw/zinc/20/64/22/509206422.db2.gz GHWNVIACZUULEA-LMCOJAPRSA-N 2 0 358.530 2.804 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248724356 509453350 /nfs/dbraw/zinc/45/33/50/509453350.db2.gz HNPZBMJDGCVGPT-MISYRCLQSA-N 2 0 358.530 2.536 10 0 FFAERP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173285915 509505046 /nfs/dbraw/zinc/50/50/46/509505046.db2.gz YXYCYDGDXXQUPD-HXUWFJFHSA-N 2 0 366.594 2.517 10 0 FFAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CN(C)CCO2)cc1C[NH+]1CCCCC1 ZINC000183196929 509652453 /nfs/dbraw/zinc/65/24/53/509652453.db2.gz BDPRNNPXORROSS-PXNSSMCTSA-N 2 0 361.530 2.662 10 0 FFAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1C[NH+]1CCCCC1 ZINC000183218330 509663029 /nfs/dbraw/zinc/66/30/29/509663029.db2.gz UODCHCSPJBGFLZ-APWZRJJASA-N 2 0 369.513 2.938 10 0 FFAERP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000170832452 509800344 /nfs/dbraw/zinc/80/03/44/509800344.db2.gz WBPGHGUEYJUHQI-HKUYNNGSSA-N 2 0 374.529 2.568 10 0 FFAERP Cn1cc([C@@H]2CCC[NH+]2C/C=C\C[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000255047624 509915619 /nfs/dbraw/zinc/91/56/19/509915619.db2.gz NQJYOOBEGNQKGT-FZZLMOMWSA-N 2 0 354.502 2.684 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000177332978 510001033 /nfs/dbraw/zinc/00/10/33/510001033.db2.gz WVECYSIJXJCAPB-YLJYHZDGSA-N 2 0 358.530 2.559 10 0 FFAERP CCN(CC1CCN(c2ccccn2)CC1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000174236984 510017757 /nfs/dbraw/zinc/01/77/57/510017757.db2.gz XYSXIKICSDFGTC-IBGZPJMESA-N 2 0 373.545 2.814 10 0 FFAERP Cc1cc(C)c(NC(=O)CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c(C)c1 ZINC000174873766 510358085 /nfs/dbraw/zinc/35/80/85/510358085.db2.gz GDCNNJLNRDHDQJ-HXUWFJFHSA-N 2 0 372.557 2.652 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000246201873 510360296 /nfs/dbraw/zinc/36/02/96/510360296.db2.gz NALKIRVKPGCWNT-MOPGFXCFSA-N 2 0 350.551 2.911 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000246411076 510473928 /nfs/dbraw/zinc/47/39/28/510473928.db2.gz SATAVXUYPWQQDY-RYRKJORJSA-N 2 0 364.559 2.915 10 0 FFAERP Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000246543148 510547019 /nfs/dbraw/zinc/54/70/19/510547019.db2.gz VQXMEWRSDZYIBB-SJLPKXTDSA-N 2 0 362.518 2.786 10 0 FFAERP O=c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576568 510565026 /nfs/dbraw/zinc/56/50/26/510565026.db2.gz LQLGCTMKIWJHBS-KSSFIOAISA-N 2 0 372.900 2.797 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000246735405 510643282 /nfs/dbraw/zinc/64/32/82/510643282.db2.gz ATIQULXGNMDRMV-PKOBYXMFSA-N 2 0 352.567 2.772 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246832590 510699170 /nfs/dbraw/zinc/69/91/70/510699170.db2.gz DWAVDWYPZHPUJC-RDGPPVDQSA-N 2 0 352.567 2.772 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000175639899 510707004 /nfs/dbraw/zinc/70/70/04/510707004.db2.gz VMTUKZXHIQPCGU-MISYRCLQSA-N 2 0 356.514 2.529 10 0 FFAERP C[NH+]1CCN(CCN2CC[N@@H+](C)CC23CCCCC3)C2(CCCCC2)C1 ZINC000178725233 510739931 /nfs/dbraw/zinc/73/99/31/510739931.db2.gz UQHQBSHYMCEYHI-UHFFFAOYSA-N 2 0 362.606 2.887 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000247193235 510850140 /nfs/dbraw/zinc/85/01/40/510850140.db2.gz WQZAUIQGLDFZLU-BEFAXECRSA-N 2 0 358.461 2.842 10 0 FFAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247574885 510866241 /nfs/dbraw/zinc/86/62/41/510866241.db2.gz XHSVDVCALANVMM-XLIONFOSSA-N 2 0 356.514 2.702 10 0 FFAERP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C ZINC000284976086 511953144 /nfs/dbraw/zinc/95/31/44/511953144.db2.gz XFXGFEHPMWLNCW-ABSDTBQOSA-N 2 0 356.518 2.601 10 0 FFAERP CCc1cc(N2CCC(C[NH3+])CC2)nc(N2CCc3ccccc3C2)[nH+]1 ZINC000045947675 536144621 /nfs/dbraw/zinc/14/46/21/536144621.db2.gz FYIRBQNZNKGVJU-UHFFFAOYSA-N 2 0 351.498 2.777 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1Cn1c(=S)nc2nc(C)cc(C)n21 ZINC000176076894 729108097 /nfs/dbraw/zinc/10/80/97/729108097.db2.gz IATNDWZIZBKJTB-OAHLLOKOSA-N 2 0 357.487 2.504 10 0 FFAERP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000888097767 734011530 /nfs/dbraw/zinc/01/15/30/734011530.db2.gz OIZBFGBHEFIWMZ-AKHDSKFASA-N 2 0 352.906 2.918 10 0 FFAERP O[C@H](COc1ccc(C[NH2+]CC2CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000012759018 220026357 /nfs/dbraw/zinc/02/63/57/220026357.db2.gz MTCDMOBLFKRZMS-QFIPXVFZSA-N 2 0 366.505 2.984 10 0 FFAERP CSCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012049293 506809096 /nfs/dbraw/zinc/80/90/96/506809096.db2.gz RCNQFUHJOVSKJV-GOSISDBHSA-N 2 0 352.544 2.755 10 0 FFAERP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061856083 507644511 /nfs/dbraw/zinc/64/45/11/507644511.db2.gz PCQWCNHLXSHQJE-UHFFFAOYSA-N 2 0 356.514 2.662 10 0 FFAERP C[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000104805583 508348202 /nfs/dbraw/zinc/34/82/02/508348202.db2.gz ISWKLIRJPUWEOF-UHFFFAOYSA-N 2 0 358.530 2.956 10 0 FFAERP COc1cc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)ccc1OC(F)F ZINC000151270791 508990304 /nfs/dbraw/zinc/99/03/04/508990304.db2.gz YWCKXQMBOJYGSU-ZFWWWQNUSA-N 2 0 358.429 2.794 10 0 FFAERP Cc1nn(C)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121159171 509141833 /nfs/dbraw/zinc/14/18/33/509141833.db2.gz YORVMIWZLJIIKF-OAQYLSRUSA-N 2 0 356.514 2.606 10 0 FFAERP COc1ccc(CN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000247956289 509200117 /nfs/dbraw/zinc/20/01/17/509200117.db2.gz FQEOIKIRDUGFRP-WIYYLYMNSA-N 2 0 371.525 2.602 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(Cl)c(F)c2)CC1 ZINC000192003545 509288211 /nfs/dbraw/zinc/28/82/11/509288211.db2.gz KPDGDNGBFJSNFJ-AWEZNQCLSA-N 2 0 358.885 2.883 10 0 FFAERP Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179423182 509436128 /nfs/dbraw/zinc/43/61/28/509436128.db2.gz TYHQRJPYUSKIRI-HNNXBMFYSA-N 2 0 367.921 2.612 10 0 FFAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccn1C ZINC000182862235 509464311 /nfs/dbraw/zinc/46/43/11/509464311.db2.gz OBJXLEYGIGIIDB-PMACEKPBSA-N 2 0 356.514 2.906 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000173331860 509536036 /nfs/dbraw/zinc/53/60/36/509536036.db2.gz VQWINFZQDRIWAX-NHCUHLMSSA-N 2 0 370.541 2.919 10 0 FFAERP O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048922 509583431 /nfs/dbraw/zinc/58/34/31/509583431.db2.gz WYXZXQXEYWMGDI-LRSLUSHPSA-N 2 0 357.542 2.618 10 0 FFAERP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000183271960 509689543 /nfs/dbraw/zinc/68/95/43/509689543.db2.gz SSNDZIQVPVSNCF-LEWJYISDSA-N 2 0 368.525 2.906 10 0 FFAERP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000170862950 509818172 /nfs/dbraw/zinc/81/81/72/509818172.db2.gz RMBIFVRPOIHTQH-IRXDYDNUSA-N 2 0 364.559 2.867 10 0 FFAERP C[N@@H+](Cc1ccnc(N)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193336937 509871680 /nfs/dbraw/zinc/87/16/80/509871680.db2.gz HCBUTHRWIQPKKQ-HXUWFJFHSA-N 2 0 354.498 2.541 10 0 FFAERP C[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000245602295 510031756 /nfs/dbraw/zinc/03/17/56/510031756.db2.gz MPOHEDVEITYEJI-WOZUAGRISA-N 2 0 370.545 2.936 10 0 FFAERP C[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@H]1n1ccnc1 ZINC000245602291 510032093 /nfs/dbraw/zinc/03/20/93/510032093.db2.gz MPOHEDVEITYEJI-PLACYPQZSA-N 2 0 370.545 2.936 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803348 510078419 /nfs/dbraw/zinc/07/84/19/510078419.db2.gz AGNLHFPZFPOWFQ-YADHBBJMSA-N 2 0 365.521 2.798 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245996800 510242960 /nfs/dbraw/zinc/24/29/60/510242960.db2.gz CBIPPSWZBTYTTD-YLJYHZDGSA-N 2 0 358.530 2.764 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000171605240 510248574 /nfs/dbraw/zinc/24/85/74/510248574.db2.gz SASPSWWHNUUINB-OALUTQOASA-N 2 0 355.482 2.706 10 0 FFAERP Cc1nn(C)cc1[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177882736 510307350 /nfs/dbraw/zinc/30/73/50/510307350.db2.gz CVLIYNXSNKAKCW-HRAATJIYSA-N 2 0 356.514 2.825 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccco1 ZINC000246350836 510442534 /nfs/dbraw/zinc/44/25/34/510442534.db2.gz HTHYGWCRKINHSY-BRWVUGGUSA-N 2 0 350.507 2.690 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246459936 510500573 /nfs/dbraw/zinc/50/05/73/510500573.db2.gz YUGCZKMUOWSYER-YLJYHZDGSA-N 2 0 358.530 2.679 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247482031 510862490 /nfs/dbraw/zinc/86/24/90/510862490.db2.gz JRHUBVKLSLMFNB-NQIIRXRSSA-N 2 0 370.541 2.908 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000247498541 510863426 /nfs/dbraw/zinc/86/34/26/510863426.db2.gz NCZDSAWYZNVLOC-ICSRJNTNSA-N 2 0 374.529 2.568 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000106424964 250270278 /nfs/dbraw/zinc/27/02/78/250270278.db2.gz TVCADCGZDIYNQG-JOCHJYFZSA-N 2 0 365.521 2.940 10 0 FFAERP CC(C)[NH+]1C[C@@H](C)[C@@H](Nc2cc(N[C@H]3C[N@H+](C(C)C)C[C@H]3C)ncn2)C1 ZINC000302267239 258097944 /nfs/dbraw/zinc/09/79/44/258097944.db2.gz GJYMLVLAGCFVBL-BDXSIMOUSA-N 2 0 360.550 2.758 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000052522935 507812076 /nfs/dbraw/zinc/81/20/76/507812076.db2.gz UBROZMARNCIWNW-HXUWFJFHSA-N 2 0 358.530 2.743 10 0 FFAERP CCC1CCC(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000127508773 508460403 /nfs/dbraw/zinc/46/04/03/508460403.db2.gz ZWODKDHMKAVTFT-UHFFFAOYSA-N 2 0 350.551 2.813 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000116250597 508491375 /nfs/dbraw/zinc/49/13/75/508491375.db2.gz SHIYSOHPKRVKIJ-UWJYYQICSA-N 2 0 366.509 2.784 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000123116608 508639325 /nfs/dbraw/zinc/63/93/25/508639325.db2.gz WMDZFPGHNBTRPW-XBMUEBEBSA-N 2 0 350.551 2.813 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000121123963 509132793 /nfs/dbraw/zinc/13/27/93/509132793.db2.gz NNMQWEIGPBERFL-HNNXBMFYSA-N 2 0 360.477 2.740 10 0 FFAERP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248410487 509302806 /nfs/dbraw/zinc/30/28/06/509302806.db2.gz XXUINEPLQRFTJG-PWRODBHTSA-N 2 0 358.526 2.666 10 0 FFAERP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000192118907 509354076 /nfs/dbraw/zinc/35/40/76/509354076.db2.gz HFQVMKVGPRFAKG-QFIPXVFZSA-N 3 0 367.541 2.783 10 0 FFAERP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000182873954 509468678 /nfs/dbraw/zinc/46/86/78/509468678.db2.gz ZWDMDNMIRFFJBH-MSOLQXFVSA-N 2 0 366.509 2.902 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000180396586 509902330 /nfs/dbraw/zinc/90/23/30/509902330.db2.gz RGHDRENRIPWPKB-LJQANCHMSA-N 2 0 373.545 2.814 10 0 FFAERP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193474531 509930075 /nfs/dbraw/zinc/93/00/75/509930075.db2.gz AMYGYFDGJXILCV-OAHLLOKOSA-N 2 0 350.894 2.871 10 0 FFAERP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)C[C@H](C)O1 ZINC000190210187 510006922 /nfs/dbraw/zinc/00/69/22/510006922.db2.gz DXCGTSSBPQUTQN-HDICACEKSA-N 2 0 366.546 2.741 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC000245667621 510073942 /nfs/dbraw/zinc/07/39/42/510073942.db2.gz RIGAFQLPVAGHEF-VQTJNVASSA-N 2 0 356.514 2.605 10 0 FFAERP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000190351352 510078738 /nfs/dbraw/zinc/07/87/38/510078738.db2.gz HPLVLXRZVRBAJI-UHFFFAOYSA-N 2 0 353.551 2.600 10 0 FFAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177672487 510192424 /nfs/dbraw/zinc/19/24/24/510192424.db2.gz XSTBNCWISXKDIM-QWFCFKBJSA-N 2 0 370.541 2.633 10 0 FFAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459644 510279160 /nfs/dbraw/zinc/27/91/60/510279160.db2.gz NTJUXBWNWIIMAX-JKSUJKDBSA-N 2 0 372.435 2.654 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4cccc(C)c4n3)C2)[nH+]1 ZINC000171651963 510282013 /nfs/dbraw/zinc/28/20/13/510282013.db2.gz IJEWODUFZCFQDH-QGZVFWFLSA-N 2 0 363.465 2.640 10 0 FFAERP Cc1cc(NC(=O)C2CC[NH2+]CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000262519241 510306594 /nfs/dbraw/zinc/30/65/94/510306594.db2.gz DLKHCQWWOXWLQS-IBGZPJMESA-N 2 0 367.497 2.577 10 0 FFAERP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145925 510319886 /nfs/dbraw/zinc/31/98/86/510319886.db2.gz FAJSUAQWMOXJHC-PKOBYXMFSA-N 2 0 352.906 2.635 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2ccnc2)C1 ZINC000246325686 510427664 /nfs/dbraw/zinc/42/76/64/510427664.db2.gz FVIAEGKVZFGBOV-SJLPKXTDSA-N 2 0 371.485 2.812 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184928532 510591428 /nfs/dbraw/zinc/59/14/28/510591428.db2.gz VXHVCXAZBARTNX-KRWDZBQOSA-N 2 0 361.534 2.680 10 0 FFAERP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000188142837 510615271 /nfs/dbraw/zinc/61/52/71/510615271.db2.gz HUDKEXWEXQQFMB-PBHICJAKSA-N 2 0 355.320 2.817 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000246888009 510729281 /nfs/dbraw/zinc/72/92/81/510729281.db2.gz DXKBVENSNPLRPO-ZWOKBUDYSA-N 2 0 354.498 2.964 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000246961705 510771042 /nfs/dbraw/zinc/77/10/42/510771042.db2.gz DKCMWIFHVXOVKQ-RXVVDRJESA-N 2 0 370.541 2.777 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000247001373 510792616 /nfs/dbraw/zinc/79/26/16/510792616.db2.gz GWRQGZOQRSOJQY-KPFFTGBYSA-N 2 0 361.505 2.883 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000247162369 510847632 /nfs/dbraw/zinc/84/76/32/510847632.db2.gz KKLOOHWLINARJE-XLIONFOSSA-N 2 0 356.514 2.661 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000247280221 510855344 /nfs/dbraw/zinc/85/53/44/510855344.db2.gz GZZFRUWOZXSRLJ-BJLQDIEVSA-N 2 0 372.557 2.927 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247482041 510862482 /nfs/dbraw/zinc/86/24/82/510862482.db2.gz JRHUBVKLSLMFNB-RXVVDRJESA-N 2 0 370.541 2.908 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000247551533 510865395 /nfs/dbraw/zinc/86/53/95/510865395.db2.gz ZHFYSWUMRLSNPL-IMFGXOCKSA-N 2 0 359.489 2.733 10 0 FFAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247574879 510866263 /nfs/dbraw/zinc/86/62/63/510866263.db2.gz XHSVDVCALANVMM-PXNSSMCTSA-N 2 0 356.514 2.702 10 0 FFAERP Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328651866 511907404 /nfs/dbraw/zinc/90/74/04/511907404.db2.gz WCLSPODVZWJWSN-IPMKNSEASA-N 2 0 364.493 2.695 10 0 FFAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423912649 514285432 /nfs/dbraw/zinc/28/54/32/514285432.db2.gz WLRATODPMNMCJR-NRDMVMEKSA-N 2 0 355.526 2.888 10 0 FFAERP COc1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000888097421 734011505 /nfs/dbraw/zinc/01/15/05/734011505.db2.gz ISDFOHVYTFBFOX-PSBWJHGTSA-N 2 0 352.906 2.918 10 0 FFAERP COc1cccc2ccc(C[N@@H+]3CCCN(C)C4(CC[NH+](C)CC4)C3)nc21 ZINC000067846626 205395426 /nfs/dbraw/zinc/39/54/26/205395426.db2.gz AMDMJDCTBOWMGT-UHFFFAOYSA-N 2 0 368.525 2.845 10 0 FFAERP CCc1ccc2c(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc(=O)oc2c1 ZINC000106126257 250240135 /nfs/dbraw/zinc/24/01/35/250240135.db2.gz BSOSGDFPMVKYPO-INIZCTEOSA-N 2 0 372.509 2.880 10 0 FFAERP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2nc3cccnc3s2)CCCN1C ZINC000329148930 258130717 /nfs/dbraw/zinc/13/07/17/258130717.db2.gz YNTPLYLQQUDLRF-KBXCAEBGSA-N 2 0 370.526 2.940 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000064754291 507808554 /nfs/dbraw/zinc/80/85/54/507808554.db2.gz TZAMWOKLHJSPBW-IAGOWNOFSA-N 2 0 364.559 2.744 10 0 FFAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000108471398 507896096 /nfs/dbraw/zinc/89/60/96/507896096.db2.gz GWAMNSIZHPOAAP-ICSRJNTNSA-N 2 0 360.546 2.723 10 0 FFAERP CN(C)C(=O)N1CCC2(CC[NH+](C3CC[NH2+]CC3)CC2)c2ccccc21 ZINC000116911748 508571769 /nfs/dbraw/zinc/57/17/69/508571769.db2.gz JDSMZVYIOUICKX-UHFFFAOYSA-N 2 0 356.514 2.664 10 0 FFAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1OC(F)F ZINC000121112944 509130974 /nfs/dbraw/zinc/13/09/74/509130974.db2.gz CJNPGDXMNRGWFI-CQSZACIVSA-N 2 0 372.456 2.821 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2)CC1 ZINC000248592082 509379071 /nfs/dbraw/zinc/37/90/71/509379071.db2.gz ZFLOEIKNEJKQGB-YLJYHZDGSA-N 2 0 371.529 2.529 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182725807 509394628 /nfs/dbraw/zinc/39/46/28/509394628.db2.gz SBCPYFMJOIQEHV-NTDBWNAOSA-N 2 0 350.551 2.667 10 0 FFAERP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000179517875 509491969 /nfs/dbraw/zinc/49/19/69/509491969.db2.gz SGHPPTJXNRRLNM-MRXNPFEDSA-N 2 0 372.513 2.610 10 0 FFAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186254142 509605534 /nfs/dbraw/zinc/60/55/34/509605534.db2.gz BOXBUVNPCBNPNN-WOJBJXKFSA-N 2 0 362.514 2.691 10 0 FFAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000183127058 509615728 /nfs/dbraw/zinc/61/57/28/509615728.db2.gz IKOXDMZCIQFCLB-RYFAJOAYSA-N 2 0 357.542 2.597 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000170827004 509796837 /nfs/dbraw/zinc/79/68/37/509796837.db2.gz RTZCXHSWLTWHPF-GOSISDBHSA-N 2 0 364.921 2.650 10 0 FFAERP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000170833132 509799393 /nfs/dbraw/zinc/79/93/93/509799393.db2.gz STMMECQYAFLLAS-WOJBJXKFSA-N 2 0 358.530 2.805 10 0 FFAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954225 509873066 /nfs/dbraw/zinc/87/30/66/509873066.db2.gz NLLMQLBDRHBVRD-RBUKOAKNSA-N 2 0 373.541 2.829 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000174232421 510016341 /nfs/dbraw/zinc/01/63/41/510016341.db2.gz ZHXDWTVAHDNWLB-VQTJNVASSA-N 2 0 358.530 2.634 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000177446070 510063297 /nfs/dbraw/zinc/06/32/97/510063297.db2.gz KLJUFFMZKRTVIA-IBGZPJMESA-N 2 0 350.551 2.767 10 0 FFAERP C[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245736427 510115075 /nfs/dbraw/zinc/11/50/75/510115075.db2.gz UVGHCKDBIWZMPT-YJBOKZPZSA-N 2 0 367.896 2.930 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000171605244 510247939 /nfs/dbraw/zinc/24/79/39/510247939.db2.gz SASPSWWHNUUINB-MOPGFXCFSA-N 2 0 355.482 2.706 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246274117 510398853 /nfs/dbraw/zinc/39/88/53/510398853.db2.gz BZIMAZFFWBVVMQ-SXLOBPIMSA-N 2 0 362.562 2.765 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000172244084 510620451 /nfs/dbraw/zinc/62/04/51/510620451.db2.gz YMRWMTIPQLEYKD-GHTZIAJQSA-N 2 0 370.541 2.572 10 0 FFAERP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000195045902 510645966 /nfs/dbraw/zinc/64/59/66/510645966.db2.gz VFBJNRXQSGMOTF-UYAOXDASSA-N 2 0 359.489 2.734 10 0 FFAERP C(CC[N@@H+]1CCC[C@@H]1CN1CCCC1)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172655376 510837532 /nfs/dbraw/zinc/83/75/32/510837532.db2.gz DIVOSTAJOQYBQK-FGZHOGPDSA-N 2 0 362.606 2.887 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247154008 510846109 /nfs/dbraw/zinc/84/61/09/510846109.db2.gz KEKHRXAHCMKRAP-ZSYWTGECSA-N 2 0 350.551 2.623 10 0 FFAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000247685701 510868521 /nfs/dbraw/zinc/86/85/21/510868521.db2.gz UXQONDZYBCPELL-NHCUHLMSSA-N 2 0 373.541 2.564 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000047832629 728038577 /nfs/dbraw/zinc/03/85/77/728038577.db2.gz ZXPHFUXVHAQCSR-IRXDYDNUSA-N 2 0 360.527 2.953 10 0 FFAERP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1O ZINC000187050054 729372010 /nfs/dbraw/zinc/37/20/10/729372010.db2.gz OOKLHIRCKMHZMJ-ZFWWWQNUSA-N 2 0 371.319 2.961 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(F)c1 ZINC000888098953 734011427 /nfs/dbraw/zinc/01/14/27/734011427.db2.gz NYPLACAPVVOCEF-OBHGLWADSA-N 2 0 350.478 2.965 10 0 FFAERP CC(C)[NH+]1C[C@@H](C)[C@@H](Nc2cc(N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)ncn2)C1 ZINC000302268494 258098158 /nfs/dbraw/zinc/09/81/58/258098158.db2.gz GJYMLVLAGCFVBL-MHORFTMASA-N 2 0 360.550 2.758 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113589051 508274653 /nfs/dbraw/zinc/27/46/53/508274653.db2.gz ZSVVSWJZZZUFTQ-YLJYHZDGSA-N 2 0 358.530 2.905 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000152394832 508437652 /nfs/dbraw/zinc/43/76/52/508437652.db2.gz CZWFELKOGURXKB-RBUKOAKNSA-N 2 0 350.551 2.767 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000123116804 508639826 /nfs/dbraw/zinc/63/98/26/508639826.db2.gz WMDZFPGHNBTRPW-JLAWEPINSA-N 2 0 350.551 2.813 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000173406995 509578262 /nfs/dbraw/zinc/57/82/62/509578262.db2.gz CWVCTAJSIAVHFB-QRVBRYPASA-N 2 0 362.493 2.697 10 0 FFAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCOCC2 ZINC000186253963 509603781 /nfs/dbraw/zinc/60/37/81/509603781.db2.gz ZFWOBRCLEFCXQS-PMACEKPBSA-N 2 0 362.514 2.691 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179760904 509609624 /nfs/dbraw/zinc/60/96/24/509609624.db2.gz UCYIUPDZTSCRGU-UYAOXDASSA-N 2 0 371.529 2.566 10 0 FFAERP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170828731 509795633 /nfs/dbraw/zinc/79/56/33/509795633.db2.gz DIJBVKJTNIPPSX-FQEVSTJZSA-N 2 0 358.530 2.764 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170828778 509796984 /nfs/dbraw/zinc/79/69/84/509796984.db2.gz CBIPPSWZBTYTTD-XLIONFOSSA-N 2 0 358.530 2.764 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)C1 ZINC000170941315 509860626 /nfs/dbraw/zinc/86/06/26/509860626.db2.gz JCRUMBFYNGGULE-UNMCSNQZSA-N 2 0 359.558 2.735 10 0 FFAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173954251 509873961 /nfs/dbraw/zinc/87/39/61/509873961.db2.gz NLLMQLBDRHBVRD-OALUTQOASA-N 2 0 373.541 2.829 10 0 FFAERP C[C@@H]1C[NH+](CC2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)C[C@@H](C)O1 ZINC000190210226 510006820 /nfs/dbraw/zinc/00/68/20/510006820.db2.gz DXCGTSSBPQUTQN-QZTJIDSGSA-N 2 0 366.546 2.741 10 0 FFAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459627 510279353 /nfs/dbraw/zinc/27/93/53/510279353.db2.gz NTJUXBWNWIIMAX-HZPDHXFCSA-N 2 0 372.435 2.654 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000246150619 510323460 /nfs/dbraw/zinc/32/34/60/510323460.db2.gz KFDGRMCKZVHCER-GUDVDZBRSA-N 2 0 350.551 2.909 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000246201876 510360018 /nfs/dbraw/zinc/36/00/18/510360018.db2.gz NALKIRVKPGCWNT-OALUTQOASA-N 2 0 350.551 2.911 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000171905443 510443057 /nfs/dbraw/zinc/44/30/57/510443057.db2.gz YSLAPRCFHDOVHB-UXHICEINSA-N 2 0 356.514 2.622 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000246461725 510501351 /nfs/dbraw/zinc/50/13/51/510501351.db2.gz VATMGIYIYVATEU-KZNAEPCWSA-N 2 0 362.518 2.931 10 0 FFAERP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)C1 ZINC000182038319 510722848 /nfs/dbraw/zinc/72/28/48/510722848.db2.gz UTXMESCHCFFWBL-RBBKRZOGSA-N 2 0 359.558 2.592 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000195223034 510723991 /nfs/dbraw/zinc/72/39/91/510723991.db2.gz INACQLDDDHBRMR-GOSISDBHSA-N 2 0 371.529 2.531 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000247070529 510824918 /nfs/dbraw/zinc/82/49/18/510824918.db2.gz IVOIINGOTYMWHA-YLJYHZDGSA-N 2 0 358.530 2.810 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247444145 510860835 /nfs/dbraw/zinc/86/08/35/510860835.db2.gz SFGRONJKLWLNRT-WIYYLYMNSA-N 2 0 372.557 2.987 10 0 FFAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247458509 510861513 /nfs/dbraw/zinc/86/15/13/510861513.db2.gz QDYXSSIQMDAPTB-HBFSDRIKSA-N 2 0 358.530 2.673 10 0 FFAERP O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073696201 205033349 /nfs/dbraw/zinc/03/33/49/205033349.db2.gz ZIQARWNHKLNIRO-UHFFFAOYSA-N 2 0 366.387 2.545 10 0 FFAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000175559111 251229648 /nfs/dbraw/zinc/22/96/48/251229648.db2.gz PPHSJQMSRBVDPD-FQEVSTJZSA-N 2 0 358.530 2.996 10 0 FFAERP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000043167004 506713016 /nfs/dbraw/zinc/71/30/16/506713016.db2.gz ORDDGLBNRMCTPC-SFHVURJKSA-N 2 0 360.502 2.686 10 0 FFAERP COc1ccc(C[NH2+]C2CC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015063749 507015703 /nfs/dbraw/zinc/01/57/03/507015703.db2.gz MVIMFOZQDDVYNS-LJQANCHMSA-N 2 0 362.514 2.953 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000048216368 507480634 /nfs/dbraw/zinc/48/06/34/507480634.db2.gz ZTDMPYSQXVBIEY-OAQYLSRUSA-N 2 0 366.509 2.647 10 0 FFAERP C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000079496895 507968000 /nfs/dbraw/zinc/96/80/00/507968000.db2.gz OLSJIVURRQIELP-SFHVURJKSA-N 2 0 370.541 2.703 10 0 FFAERP C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875874 508132784 /nfs/dbraw/zinc/13/27/84/508132784.db2.gz UJTVVRRZJBQORV-GOSISDBHSA-N 2 0 358.530 2.777 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000113589845 508274751 /nfs/dbraw/zinc/27/47/51/508274751.db2.gz VKQGAGHYSDBOFE-YLJYHZDGSA-N 2 0 356.514 2.661 10 0 FFAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105170065 508363992 /nfs/dbraw/zinc/36/39/92/508363992.db2.gz GLSPHGZOTPDKNN-NHCUHLMSSA-N 2 0 372.557 2.819 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115802014 508439213 /nfs/dbraw/zinc/43/92/13/508439213.db2.gz VTIGDGNPKHXDKD-QGZVFWFLSA-N 2 0 352.498 2.663 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CC2)CC1 ZINC000152774159 508513368 /nfs/dbraw/zinc/51/33/68/508513368.db2.gz GCXRJMGUMUYVLX-MHJFOBGBSA-N 2 0 362.562 2.909 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)[nH+]1 ZINC000128270032 508570479 /nfs/dbraw/zinc/57/04/79/508570479.db2.gz FLZGMJUPCBEBHY-INIZCTEOSA-N 2 0 373.526 2.617 10 0 FFAERP C[C@@H]1CCC[N@@H+]1CCCOc1ccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000117074343 508578483 /nfs/dbraw/zinc/57/84/83/508578483.db2.gz UMBIUKXYVHZHEH-UTKZUKDTSA-N 2 0 357.498 2.656 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129074988 508679439 /nfs/dbraw/zinc/67/94/39/508679439.db2.gz DYQNWLLISACUCK-ZHALLVOQSA-N 2 0 350.551 2.621 10 0 FFAERP C[NH+](C)CCC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000124141631 508788251 /nfs/dbraw/zinc/78/82/51/508788251.db2.gz XWIUCQDOEMBBSU-IBGZPJMESA-N 2 0 354.922 2.881 10 0 FFAERP Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000154615769 508820081 /nfs/dbraw/zinc/82/00/81/508820081.db2.gz IVSRUMHHHHFBTA-QGZVFWFLSA-N 2 0 360.502 2.637 10 0 FFAERP CCN(CC)c1ncc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000121080088 509123306 /nfs/dbraw/zinc/12/33/06/509123306.db2.gz YURDGFXFRWOGCU-HNNXBMFYSA-N 2 0 354.564 2.514 10 0 FFAERP C[N@H+](CCOCC(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189181521 509452975 /nfs/dbraw/zinc/45/29/75/509452975.db2.gz XSSJFVDAVSBFGO-GOSISDBHSA-N 2 0 356.457 2.646 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248731352 509458458 /nfs/dbraw/zinc/45/84/58/509458458.db2.gz JMKYEDKUYVJSKS-NJDAHSKKSA-N 2 0 370.541 2.777 10 0 FFAERP [NH3+][C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000248970052 509556812 /nfs/dbraw/zinc/55/68/12/509556812.db2.gz CLJXLUSTYPQSAT-IPELMVKDSA-N 2 0 359.420 2.617 10 0 FFAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCOCC2 ZINC000186339613 509657818 /nfs/dbraw/zinc/65/78/18/509657818.db2.gz WFCYQOSNJRYYJV-RBUKOAKNSA-N 2 0 350.478 2.951 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000173682318 509719417 /nfs/dbraw/zinc/71/94/17/509719417.db2.gz IKJBQKJHNTWFPZ-MRXNPFEDSA-N 2 0 360.477 2.536 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000177024593 509823710 /nfs/dbraw/zinc/82/37/10/509823710.db2.gz JVLAVZPSBDWXBK-HXUWFJFHSA-N 2 0 358.530 2.777 10 0 FFAERP CC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440045 509936548 /nfs/dbraw/zinc/93/65/48/509936548.db2.gz GFPWYZWBDHHIDI-XLIONFOSSA-N 2 0 359.514 2.632 10 0 FFAERP CC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2)C1 ZINC000245440044 509936868 /nfs/dbraw/zinc/93/68/68/509936868.db2.gz GFPWYZWBDHHIDI-PXNSSMCTSA-N 2 0 359.514 2.632 10 0 FFAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246348602 510439326 /nfs/dbraw/zinc/43/93/26/510439326.db2.gz CYHZKPQTQGKUTQ-QRVBRYPASA-N 2 0 350.551 2.624 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000172244079 510620756 /nfs/dbraw/zinc/62/07/56/510620756.db2.gz YMRWMTIPQLEYKD-WIYYLYMNSA-N 2 0 370.541 2.572 10 0 FFAERP O=C1O[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857584 510713099 /nfs/dbraw/zinc/71/30/99/510713099.db2.gz PLNBYLXMHRNZQT-AHRSYUTCSA-N 2 0 355.482 2.961 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000247073221 510826683 /nfs/dbraw/zinc/82/66/83/510826683.db2.gz VAYZSDQFJONYQX-QYZOEREBSA-N 2 0 350.551 2.767 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247280226 510855159 /nfs/dbraw/zinc/85/51/59/510855159.db2.gz GZZFRUWOZXSRLJ-GGPKGHCWSA-N 2 0 372.557 2.927 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000247366854 510858645 /nfs/dbraw/zinc/85/86/45/510858645.db2.gz OXGSLMDSDNNJNT-BRWVUGGUSA-N 2 0 364.559 2.913 10 0 FFAERP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379671961 512870593 /nfs/dbraw/zinc/87/05/93/512870593.db2.gz MHQJVVRBNHQDGC-FQEVSTJZSA-N 2 0 351.494 2.972 10 0 FFAERP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c1O ZINC000187050035 729371984 /nfs/dbraw/zinc/37/19/84/729371984.db2.gz OOKLHIRCKMHZMJ-HIFRSBDPSA-N 2 0 371.319 2.961 10 0 FFAERP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106126826 250241222 /nfs/dbraw/zinc/24/12/22/250241222.db2.gz PBESNFHTFDMTCT-IAGOWNOFSA-N 2 0 361.530 2.601 10 0 FFAERP CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1CC ZINC000116928150 250323809 /nfs/dbraw/zinc/32/38/09/250323809.db2.gz UYBFYVZPHMZDMT-LJQANCHMSA-N 2 0 362.518 2.713 10 0 FFAERP CCc1noc([C@@H](C)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000330214982 258158844 /nfs/dbraw/zinc/15/88/44/258158844.db2.gz GPLVNRXOWLXOJZ-OWCLPIDISA-N 2 0 350.507 2.904 10 0 FFAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(C)cc1 ZINC000013733079 506955579 /nfs/dbraw/zinc/95/55/79/506955579.db2.gz PYMMIGHMYWWWRZ-UHFFFAOYSA-N 2 0 358.482 2.644 10 0 FFAERP COc1cccc([C@@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)[NH+](C)C)c1 ZINC000079222720 507945770 /nfs/dbraw/zinc/94/57/70/507945770.db2.gz BHGHIAXQUZEFET-IEBWSBKVSA-N 2 0 364.534 2.573 10 0 FFAERP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000079284658 507950774 /nfs/dbraw/zinc/95/07/74/507950774.db2.gz FATOJWIEYXJQPJ-ROUUACIJSA-N 2 0 350.551 2.624 10 0 FFAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000111213036 508078609 /nfs/dbraw/zinc/07/86/09/508078609.db2.gz QZZBLLGIVPBFJR-IBGZPJMESA-N 2 0 352.482 2.749 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113593064 508274610 /nfs/dbraw/zinc/27/46/10/508274610.db2.gz KEKHRXAHCMKRAP-RDGPPVDQSA-N 2 0 350.551 2.623 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156561186 508440156 /nfs/dbraw/zinc/44/01/56/508440156.db2.gz PZSKWJTVISJQHY-UWJYYQICSA-N 2 0 366.509 2.784 10 0 FFAERP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814172 508899055 /nfs/dbraw/zinc/89/90/55/508899055.db2.gz FAJSUAQWMOXJHC-MJGOQNOKSA-N 2 0 352.906 2.635 10 0 FFAERP CCn1nccc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121170432 509144114 /nfs/dbraw/zinc/14/41/14/509144114.db2.gz QCTURFJAUJCNQM-OAQYLSRUSA-N 2 0 356.514 2.780 10 0 FFAERP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000121203080 509149879 /nfs/dbraw/zinc/14/98/79/509149879.db2.gz UVEOCPREMYYKAQ-RBUKOAKNSA-N 2 0 365.562 2.645 10 0 FFAERP c1ccc(C[N@H+]2CCC[C@H]3CN(CCCN4CCOCC4)CC[C@H]32)cc1 ZINC000248132605 509243443 /nfs/dbraw/zinc/24/34/43/509243443.db2.gz OQHYZOFCJSBOCN-FCHUYYIVSA-N 2 0 357.542 2.695 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248399460 509293803 /nfs/dbraw/zinc/29/38/03/509293803.db2.gz JWWAYXLVVDGCTJ-PNYFIKQUSA-N 2 0 362.562 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000176151585 509348743 /nfs/dbraw/zinc/34/87/43/509348743.db2.gz DBWJPPLSEKELMA-ROUUACIJSA-N 2 0 350.482 2.554 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H](C)c3ccccc3)CC2)C1 ZINC000248831773 509502522 /nfs/dbraw/zinc/50/25/22/509502522.db2.gz HQAGIORTZPQTMT-UNMCSNQZSA-N 2 0 359.558 2.907 10 0 FFAERP CCO[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCOCC2 ZINC000186393515 509687865 /nfs/dbraw/zinc/68/78/65/509687865.db2.gz BAPZCTORBWKLKV-PMACEKPBSA-N 2 0 359.514 2.862 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000170829443 509798331 /nfs/dbraw/zinc/79/83/31/509798331.db2.gz BFMZBRCAKLFASY-MSOLQXFVSA-N 2 0 364.921 2.822 10 0 FFAERP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCCCC1 ZINC000170832453 509799689 /nfs/dbraw/zinc/79/96/89/509799689.db2.gz WBPGHGUEYJUHQI-IEBWSBKVSA-N 2 0 374.529 2.568 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245388008 509892400 /nfs/dbraw/zinc/89/24/00/509892400.db2.gz BGVLSTXMBWOWLO-VQTJNVASSA-N 2 0 373.545 2.562 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245546468 509996115 /nfs/dbraw/zinc/99/61/15/509996115.db2.gz DIIWBQCLLQPOAO-KSZLIROESA-N 2 0 364.921 2.869 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000245934643 510216793 /nfs/dbraw/zinc/21/67/93/510216793.db2.gz TTWDFBUXYQUOED-PWRODBHTSA-N 2 0 358.526 2.937 10 0 FFAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177882684 510307298 /nfs/dbraw/zinc/30/72/98/510307298.db2.gz CVLIYNXSNKAKCW-IERDGZPVSA-N 2 0 356.514 2.825 10 0 FFAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194661624 510469170 /nfs/dbraw/zinc/46/91/70/510469170.db2.gz OVSAYMPTFAUBRH-FQEVSTJZSA-N 2 0 356.514 2.703 10 0 FFAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000246758953 510657491 /nfs/dbraw/zinc/65/74/91/510657491.db2.gz ZZAVHKAYQBTWFK-YLJYHZDGSA-N 2 0 358.530 2.633 10 0 FFAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC(F)F ZINC000178609876 510685603 /nfs/dbraw/zinc/68/56/03/510685603.db2.gz KMRFNBPJJYKUCP-AWEZNQCLSA-N 2 0 372.456 2.821 10 0 FFAERP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCC(C)CC2)C1 ZINC000195257420 510740326 /nfs/dbraw/zinc/74/03/26/510740326.db2.gz AZMFWFYJHDVDNB-SFHVURJKSA-N 2 0 350.576 2.937 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000247001393 510791805 /nfs/dbraw/zinc/79/18/05/510791805.db2.gz GWRQGZOQRSOJQY-YVWKXTFCSA-N 2 0 361.505 2.883 10 0 FFAERP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000247739139 510869448 /nfs/dbraw/zinc/86/94/48/510869448.db2.gz NHQOHMXQLNAGCW-FUHWJXTLSA-N 2 0 361.530 2.655 10 0 FFAERP Cn1ccnc1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328651868 511908120 /nfs/dbraw/zinc/90/81/20/511908120.db2.gz WCLSPODVZWJWSN-OTWHNJEPSA-N 2 0 364.493 2.695 10 0 FFAERP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000131986981 251036155 /nfs/dbraw/zinc/03/61/55/251036155.db2.gz CPCKWZKTQZUNQK-GOSISDBHSA-N 2 0 373.545 2.782 10 0 FFAERP COc1ccc(C[NH2+]C2CC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015063748 507015955 /nfs/dbraw/zinc/01/59/55/507015955.db2.gz MVIMFOZQDDVYNS-IBGZPJMESA-N 2 0 362.514 2.953 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000064244447 507787755 /nfs/dbraw/zinc/78/77/55/507787755.db2.gz UHDHNRFEGBTIDS-KRWDZBQOSA-N 2 0 364.559 2.744 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000108478520 507896653 /nfs/dbraw/zinc/89/66/53/507896653.db2.gz HHQBFBMXDSOLBG-ZVDOUQERSA-N 2 0 374.573 2.827 10 0 FFAERP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105068748 508358901 /nfs/dbraw/zinc/35/89/01/508358901.db2.gz LJVBLBPSXXDEDA-WOJBJXKFSA-N 2 0 356.514 2.703 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000157207121 508537562 /nfs/dbraw/zinc/53/75/62/508537562.db2.gz IVOIINGOTYMWHA-XLIONFOSSA-N 2 0 358.530 2.810 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000128082415 508545175 /nfs/dbraw/zinc/54/51/75/508545175.db2.gz SBLWMOIJOBMIRF-QUCCMNQESA-N 2 0 360.546 2.957 10 0 FFAERP C[N@@H+]1CCC[C@H]1CCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000120888929 509083665 /nfs/dbraw/zinc/08/36/65/509083665.db2.gz YZIXGYPGSHVDMQ-IBGZPJMESA-N 2 0 354.498 2.944 10 0 FFAERP COC(=O)c1cc2cc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc2o1 ZINC000172792016 509237269 /nfs/dbraw/zinc/23/72/69/509237269.db2.gz OUGMYEAUFYHZIT-OAHLLOKOSA-N 2 0 374.481 2.744 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000176279464 509418763 /nfs/dbraw/zinc/41/87/63/509418763.db2.gz FFQKMZIGAMDZDF-IRXDYDNUSA-N 2 0 350.507 2.788 10 0 FFAERP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000179517868 509491748 /nfs/dbraw/zinc/49/17/48/509491748.db2.gz SGHPPTJXNRRLNM-INIZCTEOSA-N 2 0 372.513 2.610 10 0 FFAERP O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000192721992 509613737 /nfs/dbraw/zinc/61/37/37/509613737.db2.gz WYXZXQXEYWMGDI-LQCXBHPOSA-N 2 0 357.542 2.618 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186344165 509660351 /nfs/dbraw/zinc/66/03/51/509660351.db2.gz MYDBOUPLBJJBOH-INIZCTEOSA-N 2 0 362.514 2.856 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000176980865 509798109 /nfs/dbraw/zinc/79/81/09/509798109.db2.gz PLELBWXBEZLZIB-NRFANRHFSA-N 2 0 372.557 2.773 10 0 FFAERP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2cccs2)CC1 ZINC000170862953 509817735 /nfs/dbraw/zinc/81/77/35/509817735.db2.gz RMBIFVRPOIHTQH-DLBZAZTESA-N 2 0 364.559 2.867 10 0 FFAERP Cn1cc([C@H]2CCC[N@@H+]2C/C=C/C[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000171411976 510144509 /nfs/dbraw/zinc/14/45/09/510144509.db2.gz NQJYOOBEGNQKGT-IGVYDEPUSA-N 2 0 354.502 2.684 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000174610928 510206327 /nfs/dbraw/zinc/20/63/27/510206327.db2.gz DEDVLTSQBRRZHI-OAGGEKHMSA-N 2 0 350.532 2.619 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194244052 510277974 /nfs/dbraw/zinc/27/79/74/510277974.db2.gz HNPZBMJDGCVGPT-HOJAQTOUSA-N 2 0 358.530 2.536 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCCc3ccccc3C)C2)[nH+]1 ZINC000171651540 510282655 /nfs/dbraw/zinc/28/26/55/510282655.db2.gz WGTJJBZAKPFYBZ-LJQANCHMSA-N 2 0 366.509 2.791 10 0 FFAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000187478921 510289764 /nfs/dbraw/zinc/28/97/64/510289764.db2.gz MNQJVJYFDUMTMN-UXHICEINSA-N 2 0 358.530 2.633 10 0 FFAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000177885113 510310028 /nfs/dbraw/zinc/31/00/28/510310028.db2.gz XUWSCHMVSGOZDB-IRXDYDNUSA-N 2 0 355.486 2.917 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246214592 510369086 /nfs/dbraw/zinc/36/90/86/510369086.db2.gz ZYJZPEWBOJJHNN-RBUKOAKNSA-N 2 0 350.551 2.768 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000171900848 510439440 /nfs/dbraw/zinc/43/94/40/510439440.db2.gz FTYIGDXFHWOSTK-SJORKVTESA-N 2 0 350.532 2.621 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000246461755 510501035 /nfs/dbraw/zinc/50/10/35/510501035.db2.gz VATMGIYIYVATEU-SQNIBIBYSA-N 2 0 362.518 2.931 10 0 FFAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cc2)CC1 ZINC000246791034 510674412 /nfs/dbraw/zinc/67/44/12/510674412.db2.gz BMFLMCGFAXZAPV-RXVVDRJESA-N 2 0 370.541 2.526 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000247053114 510818703 /nfs/dbraw/zinc/81/87/03/510818703.db2.gz NQCOJJLKALZKRG-BEFAXECRSA-N 2 0 358.461 2.542 10 0 FFAERP CC1(C)CC(NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000333455583 511250179 /nfs/dbraw/zinc/25/01/79/511250179.db2.gz YEIQFIIIUXREIW-AEFFLSMTSA-N 2 0 358.530 2.680 10 0 FFAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000169789536 728983245 /nfs/dbraw/zinc/98/32/45/728983245.db2.gz BBGDRJHTFVHFOP-MRXNPFEDSA-N 2 0 370.896 2.632 10 0 FFAERP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2Cl)CC1 ZINC000178878103 729172178 /nfs/dbraw/zinc/17/21/78/729172178.db2.gz LKYLPLQDIXCIJA-HNNXBMFYSA-N 2 0 364.921 2.810 10 0 FFAERP C[NH+](C)C[C@@H](Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2)c1ccccc1 ZINC000072163826 205491797 /nfs/dbraw/zinc/49/17/97/205491797.db2.gz JRUIMPJHOLTLEW-HXUWFJFHSA-N 2 0 374.492 2.899 10 0 FFAERP CCc1c(C)[nH+]c2ccccc2c1NC1CC[NH+](C[C@H](O)COC)CC1 ZINC000302073948 258086321 /nfs/dbraw/zinc/08/63/21/258086321.db2.gz WXVGNHCNIGCNPX-KRWDZBQOSA-N 2 0 357.498 2.989 10 0 FFAERP CC(C)[NH+]1C[C@@H](C)[C@@H](Nc2cc(N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)ncn2)C1 ZINC000302268505 258097820 /nfs/dbraw/zinc/09/78/20/258097820.db2.gz GJYMLVLAGCFVBL-TVFCKZIOSA-N 2 0 360.550 2.758 10 0 FFAERP CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301644741 258060469 /nfs/dbraw/zinc/06/04/69/258060469.db2.gz HMVBOYXYVIDAQD-ROUUACIJSA-N 2 0 369.465 2.548 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C)C[C@H]3C[NH3+])CC2)CC1 ZINC000333126319 258251256 /nfs/dbraw/zinc/25/12/56/258251256.db2.gz BCMZGQROQGEARU-RGVPCPSESA-N 2 0 350.551 2.798 10 0 FFAERP C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2CC[NH+](C)C)C1 ZINC000012333143 506851622 /nfs/dbraw/zinc/85/16/22/506851622.db2.gz XXGWJXVPVJVROG-LSORGDCHSA-N 2 0 355.526 2.964 10 0 FFAERP C[NH+](C)C[C@H](Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2)c1ccccc1 ZINC000072163825 507767170 /nfs/dbraw/zinc/76/71/70/507767170.db2.gz JRUIMPJHOLTLEW-FQEVSTJZSA-N 2 0 374.492 2.899 10 0 FFAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107838971 507869738 /nfs/dbraw/zinc/86/97/38/507869738.db2.gz DEZKXYMSDNGJNJ-QRVBRYPASA-N 2 0 350.551 2.767 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000079284653 507950757 /nfs/dbraw/zinc/95/07/57/507950757.db2.gz FATOJWIEYXJQPJ-HDICACEKSA-N 2 0 350.551 2.624 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305137 508305818 /nfs/dbraw/zinc/30/58/18/508305818.db2.gz SHJMVYOZRGVNRM-RBUKOAKNSA-N 2 0 352.567 2.870 10 0 FFAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115802011 508439216 /nfs/dbraw/zinc/43/92/16/508439216.db2.gz VTIGDGNPKHXDKD-KRWDZBQOSA-N 2 0 352.498 2.663 10 0 FFAERP Cn1cc([C@H]2CCC[NH+]2CCCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000157888548 508627433 /nfs/dbraw/zinc/62/74/33/508627433.db2.gz SNMQEKXOZDYXCW-WOJBJXKFSA-N 2 0 356.518 2.908 10 0 FFAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000151900398 509107204 /nfs/dbraw/zinc/10/72/04/509107204.db2.gz LCEMVKPETPMZPP-NHCUHLMSSA-N 2 0 356.514 2.906 10 0 FFAERP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000151924340 509111790 /nfs/dbraw/zinc/11/17/90/509111790.db2.gz NVVQJBWYIXUMNA-DYESRHJHSA-N 2 0 356.514 2.999 10 0 FFAERP CCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC ZINC000121109799 509130480 /nfs/dbraw/zinc/13/04/80/509130480.db2.gz DWFVMGZFYVXEGN-INIZCTEOSA-N 2 0 350.503 2.619 10 0 FFAERP C[N@H+](CCCn1ccnc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000183175591 509641450 /nfs/dbraw/zinc/64/14/50/509641450.db2.gz RRDQWPTUZOWMEV-NRFANRHFSA-N 2 0 356.514 2.651 10 0 FFAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCOCC2 ZINC000186339631 509657958 /nfs/dbraw/zinc/65/79/58/509657958.db2.gz WFCYQOSNJRYYJV-OALUTQOASA-N 2 0 350.478 2.951 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCN(c2ccccn2)CC1 ZINC000186360784 509669433 /nfs/dbraw/zinc/66/94/33/509669433.db2.gz XVCUFTULSNYARJ-LJQANCHMSA-N 2 0 373.545 2.958 10 0 FFAERP CC(C)OC(=O)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682619 509719714 /nfs/dbraw/zinc/71/97/14/509719714.db2.gz KYCKONUXCKLLMB-FQEVSTJZSA-N 2 0 362.514 2.706 10 0 FFAERP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)c2)CC1 ZINC000170837087 509803859 /nfs/dbraw/zinc/80/38/59/509803859.db2.gz OBFQLYJILCERSY-HXUWFJFHSA-N 2 0 358.530 2.764 10 0 FFAERP C[C@@]1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000251705761 509818439 /nfs/dbraw/zinc/81/84/39/509818439.db2.gz JRWCTOYLQQUTCI-FPOVZHCZSA-N 2 0 356.514 2.531 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000245658738 510066643 /nfs/dbraw/zinc/06/66/43/510066643.db2.gz CWVCTAJSIAVHFB-QYZOEREBSA-N 2 0 362.493 2.697 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000177517177 510109529 /nfs/dbraw/zinc/10/95/29/510109529.db2.gz GQDNRUBRNONBTA-KRWDZBQOSA-N 2 0 350.482 2.513 10 0 FFAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000190479217 510154004 /nfs/dbraw/zinc/15/40/04/510154004.db2.gz OPUQXSABUSHCOW-FQEVSTJZSA-N 2 0 362.481 2.616 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000245898267 510193747 /nfs/dbraw/zinc/19/37/47/510193747.db2.gz AHRYMDHPNMRRJF-MBOZVWFJSA-N 2 0 373.545 2.635 10 0 FFAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190561970 510208603 /nfs/dbraw/zinc/20/86/03/510208603.db2.gz PQYITHPXHYUEIC-SJORKVTESA-N 2 0 364.559 2.606 10 0 FFAERP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177748875 510232372 /nfs/dbraw/zinc/23/23/72/510232372.db2.gz ISHABXHRVCEQHG-WOJBJXKFSA-N 2 0 352.482 2.786 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000246150634 510322382 /nfs/dbraw/zinc/32/23/82/510322382.db2.gz KFDGRMCKZVHCER-QRVBRYPASA-N 2 0 350.551 2.909 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2ccnc2)C1 ZINC000246325669 510426794 /nfs/dbraw/zinc/42/67/94/510426794.db2.gz FVIAEGKVZFGBOV-FUHWJXTLSA-N 2 0 371.485 2.812 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000175032076 510448519 /nfs/dbraw/zinc/44/85/19/510448519.db2.gz SPLVQRGFTSPDTQ-QZTJIDSGSA-N 2 0 372.538 2.961 10 0 FFAERP COCCN(C)c1ccc(C[NH2+]C2CCN(c3cccc(C)n3)CC2)cn1 ZINC000191103487 510506573 /nfs/dbraw/zinc/50/65/73/510506573.db2.gz DDNNQQXQIMGULN-UHFFFAOYSA-N 2 0 369.513 2.626 10 0 FFAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000246641893 510596658 /nfs/dbraw/zinc/59/66/58/510596658.db2.gz ZNQUQXFGMFGMBQ-GIVPXCGWSA-N 2 0 370.541 2.919 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000172255747 510631265 /nfs/dbraw/zinc/63/12/65/510631265.db2.gz DKCMWIFHVXOVKQ-GHTZIAJQSA-N 2 0 370.541 2.777 10 0 FFAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000246758946 510657256 /nfs/dbraw/zinc/65/72/56/510657256.db2.gz ZZAVHKAYQBTWFK-FXAWDEMLSA-N 2 0 358.530 2.633 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247197342 510850494 /nfs/dbraw/zinc/85/04/94/510850494.db2.gz LMZYQJWYUGJYMO-WIYYLYMNSA-N 2 0 370.541 2.838 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000247513163 510863911 /nfs/dbraw/zinc/86/39/11/510863911.db2.gz YNTGHZDDMKLBCZ-RLLQIKCJSA-N 2 0 358.530 2.851 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000382726676 512879053 /nfs/dbraw/zinc/87/90/53/512879053.db2.gz UMYFRHRHNZCNGN-WIYYLYMNSA-N 2 0 351.494 2.679 10 0 FFAERP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccccc1C)[NH2+][C@]2(CO)Cc1ccc(O)cc1 ZINC000065455877 205351674 /nfs/dbraw/zinc/35/16/74/205351674.db2.gz HZKYZZNYOVEULO-ACESQOTJSA-N 2 0 366.505 2.887 10 0 FFAERP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126361 250240631 /nfs/dbraw/zinc/24/06/31/250240631.db2.gz ZKSBRJGWYBOJIK-OAHLLOKOSA-N 2 0 367.921 2.612 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757309 507014896 /nfs/dbraw/zinc/01/48/96/507014896.db2.gz OFWFDVLOUCUFAI-SFHVURJKSA-N 2 0 360.546 2.989 10 0 FFAERP C[NH+](C)Cc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217232 507480394 /nfs/dbraw/zinc/48/03/94/507480394.db2.gz UEBVVWIOFUPEFA-HXUWFJFHSA-N 2 0 354.498 2.850 10 0 FFAERP CC1(C)CC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC(C)(C)[NH2+]1 ZINC000107824506 507868517 /nfs/dbraw/zinc/86/85/17/507868517.db2.gz FIZBPBYQZLGIIL-KRWDZBQOSA-N 2 0 350.551 2.956 10 0 FFAERP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111631524 508111710 /nfs/dbraw/zinc/11/17/10/508111710.db2.gz HUDSDPPXSSUHDJ-NQIIRXRSSA-N 2 0 353.510 2.796 10 0 FFAERP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102038256 508265587 /nfs/dbraw/zinc/26/55/87/508265587.db2.gz HJDFLGAENVCKSQ-WBVHZDCISA-N 2 0 350.507 2.754 10 0 FFAERP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000113626075 508277760 /nfs/dbraw/zinc/27/77/60/508277760.db2.gz LGGNHERNUHHSLX-PKOBYXMFSA-N 2 0 358.530 2.996 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)CC2)CC1 ZINC000152775910 508514001 /nfs/dbraw/zinc/51/40/01/508514001.db2.gz LZXAPCRKZWPDEY-DCCYDQLOSA-N 2 0 362.562 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116535515 508526076 /nfs/dbraw/zinc/52/60/76/508526076.db2.gz YXDLLKSORGPRGX-FXAWDEMLSA-N 2 0 358.530 2.996 10 0 FFAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000150857301 508909036 /nfs/dbraw/zinc/90/90/36/508909036.db2.gz VMLPEBGQBMPXLH-FXAWDEMLSA-N 2 0 373.545 2.597 10 0 FFAERP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000121203499 509149700 /nfs/dbraw/zinc/14/97/00/509149700.db2.gz UVEOCPREMYYKAQ-MOPGFXCFSA-N 2 0 365.562 2.645 10 0 FFAERP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000247975472 509206789 /nfs/dbraw/zinc/20/67/89/509206789.db2.gz GHWNVIACZUULEA-RNQOJCNYSA-N 2 0 358.530 2.804 10 0 FFAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000248412594 509305586 /nfs/dbraw/zinc/30/55/86/509305586.db2.gz JVBUXWVRDAYECV-DNVJHFABSA-N 3 0 370.585 2.514 10 0 FFAERP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179516485 509492080 /nfs/dbraw/zinc/49/20/80/509492080.db2.gz XEEKKKBXEDVFCA-KRWDZBQOSA-N 2 0 356.514 2.910 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C)C1 ZINC000176410519 509494324 /nfs/dbraw/zinc/49/43/24/509494324.db2.gz KEIGJKODWKKTJR-PXNSSMCTSA-N 2 0 358.530 2.810 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@H](C)c3ccccc3)CC2)C1 ZINC000248831522 509503794 /nfs/dbraw/zinc/50/37/94/509503794.db2.gz HQAGIORTZPQTMT-RBBKRZOGSA-N 2 0 359.558 2.907 10 0 FFAERP CC[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000183057039 509571317 /nfs/dbraw/zinc/57/13/17/509571317.db2.gz XHTVETPIQUPBHK-QHAWAJNXSA-N 2 0 351.579 2.930 10 0 FFAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCOCC2 ZINC000186297623 509631358 /nfs/dbraw/zinc/63/13/58/509631358.db2.gz JZUWQUKPKXFFES-PMACEKPBSA-N 2 0 362.514 2.691 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000177050907 509840569 /nfs/dbraw/zinc/84/05/69/509840569.db2.gz CBUMNFGNMVSJJZ-HXUWFJFHSA-N 2 0 357.473 2.547 10 0 FFAERP C[C@H](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000245426565 509925003 /nfs/dbraw/zinc/92/50/03/509925003.db2.gz GDGUKYAUXBFGFC-GGPKGHCWSA-N 2 0 358.530 2.775 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000177356872 510010292 /nfs/dbraw/zinc/01/02/92/510010292.db2.gz UXRIMSJSJPRUAS-FQEVSTJZSA-N 2 0 358.530 2.561 10 0 FFAERP C=Cn1cc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000193903707 510122846 /nfs/dbraw/zinc/12/28/46/510122846.db2.gz AACISBKNJYOUBB-NRFANRHFSA-N 2 0 354.498 2.861 10 0 FFAERP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246071148 510274657 /nfs/dbraw/zinc/27/46/57/510274657.db2.gz BXEDEIRPSRRKOQ-DOTOQJQBSA-N 2 0 361.873 2.909 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171651546 510282916 /nfs/dbraw/zinc/28/29/16/510282916.db2.gz ZESHTCMHOJARFN-GOSISDBHSA-N 2 0 352.482 2.749 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000246401249 510467113 /nfs/dbraw/zinc/46/71/13/510467113.db2.gz KCKNUDNKPGUIEJ-QRVBRYPASA-N 2 0 350.551 2.623 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246466479 510503761 /nfs/dbraw/zinc/50/37/61/510503761.db2.gz QFAOCGXMJUUTKD-FQEVSTJZSA-N 2 0 358.530 2.907 10 0 FFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000246636445 510595679 /nfs/dbraw/zinc/59/56/79/510595679.db2.gz XSTBNCWISXKDIM-JYRKZWEQSA-N 2 0 370.541 2.633 10 0 FFAERP CC[C@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676897 510612208 /nfs/dbraw/zinc/61/22/08/510612208.db2.gz AQXLPFAKEZJIGE-WMZOPIPTSA-N 2 0 369.465 2.791 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172241279 510618965 /nfs/dbraw/zinc/61/89/65/510618965.db2.gz KKLOOHWLINARJE-FXAWDEMLSA-N 2 0 356.514 2.661 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000246832558 510698334 /nfs/dbraw/zinc/69/83/34/510698334.db2.gz DWAVDWYPZHPUJC-FCGDIQPGSA-N 2 0 352.567 2.772 10 0 FFAERP c1n[nH]cc1[C@@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000247043133 510813755 /nfs/dbraw/zinc/81/37/55/510813755.db2.gz NCXOYZQUJHPEBD-PMACEKPBSA-N 2 0 372.517 2.904 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000247084649 510829488 /nfs/dbraw/zinc/82/94/88/510829488.db2.gz JIRREELQALXAEE-HLAWJBBLSA-N 2 0 372.557 2.879 10 0 FFAERP Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000247248459 510854091 /nfs/dbraw/zinc/85/40/91/510854091.db2.gz XBVYIVMUBYZLSN-SJORKVTESA-N 2 0 360.502 2.636 10 0 FFAERP Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000247248410 510854121 /nfs/dbraw/zinc/85/41/21/510854121.db2.gz XBVYIVMUBYZLSN-IAGOWNOFSA-N 2 0 360.502 2.636 10 0 FFAERP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC[C@H]21 ZINC000247343460 510857743 /nfs/dbraw/zinc/85/77/43/510857743.db2.gz XQYGRIXGSWQKKS-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000247551545 510865335 /nfs/dbraw/zinc/86/53/35/510865335.db2.gz ZHFYSWUMRLSNPL-POAQFYNOSA-N 2 0 359.489 2.733 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000247575064 510866407 /nfs/dbraw/zinc/86/64/07/510866407.db2.gz HRXLVSNZAPMNSX-HUUCEWRRSA-N 2 0 367.921 2.692 10 0 FFAERP CCn1ccnc1CN(C(=O)c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000370165552 512798447 /nfs/dbraw/zinc/79/84/47/512798447.db2.gz WNLOMQWMTOAXEN-KRWDZBQOSA-N 2 0 356.445 2.827 10 0 FFAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000333838849 965353306 /nfs/dbraw/zinc/35/33/06/965353306.db2.gz USKGQVXRGRREBJ-IVAOSVALSA-N 2 0 370.541 2.810 10 0 FFAERP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000106125107 250241067 /nfs/dbraw/zinc/24/10/67/250241067.db2.gz BFSDOGHCUCHQFK-MSOLQXFVSA-N 2 0 361.530 2.655 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068887174 507350424 /nfs/dbraw/zinc/35/04/24/507350424.db2.gz GHSFSTCHYIFWAK-LJQANCHMSA-N 2 0 352.567 2.917 10 0 FFAERP C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875873 508133042 /nfs/dbraw/zinc/13/30/42/508133042.db2.gz UJTVVRRZJBQORV-SFHVURJKSA-N 2 0 358.530 2.777 10 0 FFAERP C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000114718442 508341067 /nfs/dbraw/zinc/34/10/67/508341067.db2.gz VMLOQHHKDWAWHE-FGZHOGPDSA-N 2 0 362.606 2.887 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000106459524 508401022 /nfs/dbraw/zinc/40/10/22/508401022.db2.gz CBXUNNIDVBQHEU-UXHICEINSA-N 2 0 357.473 2.718 10 0 FFAERP CC(=O)Oc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000125685000 509016729 /nfs/dbraw/zinc/01/67/29/509016729.db2.gz WROOVTFVAVZHFM-CALCHBBNSA-N 2 0 360.498 2.933 10 0 FFAERP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120812594 509068761 /nfs/dbraw/zinc/06/87/61/509068761.db2.gz CQVUXDOKIJZIQJ-VXKWHMMOSA-N 3 0 359.558 2.848 10 0 FFAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(Cl)c1OC ZINC000121107521 509129594 /nfs/dbraw/zinc/12/95/94/509129594.db2.gz YUEYIXYAKJZUNQ-CQSZACIVSA-N 2 0 370.921 2.882 10 0 FFAERP C[N@H+](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000175950455 509233067 /nfs/dbraw/zinc/23/30/67/509233067.db2.gz SKDTWPJXOFXJBA-UHFFFAOYSA-N 2 0 362.493 2.527 10 0 FFAERP C[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179469926 509463025 /nfs/dbraw/zinc/46/30/25/509463025.db2.gz RPYLKNMKIIXINN-UXHICEINSA-N 2 0 356.514 2.702 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000173373436 509560084 /nfs/dbraw/zinc/56/00/84/509560084.db2.gz DRQPYZDDDTUNEJ-PKOBYXMFSA-N 2 0 374.529 2.568 10 0 FFAERP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000183057077 509571506 /nfs/dbraw/zinc/57/15/06/509571506.db2.gz XHTVETPIQUPBHK-NJDAHSKKSA-N 2 0 351.579 2.930 10 0 FFAERP O=S1(=O)CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000186257529 509606844 /nfs/dbraw/zinc/60/68/44/509606844.db2.gz UOMWMSZOZREVJB-LJQANCHMSA-N 2 0 371.506 2.806 10 0 FFAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)ccc1OC ZINC000183217953 509662541 /nfs/dbraw/zinc/66/25/41/509662541.db2.gz RRBYTAYVCVLTLY-YJBOKZPZSA-N 2 0 357.502 2.794 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180093806 509749768 /nfs/dbraw/zinc/74/97/68/509749768.db2.gz IEVRAYLRWJBSMM-CQSZACIVSA-N 2 0 362.543 2.798 10 0 FFAERP C[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000180232014 509824118 /nfs/dbraw/zinc/82/41/18/509824118.db2.gz AECYWSSHJSSMIS-FPOVZHCZSA-N 2 0 359.558 2.797 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245414812 509914437 /nfs/dbraw/zinc/91/44/37/509914437.db2.gz FAEFAZZDASVOCI-GUDVDZBRSA-N 2 0 352.567 2.870 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000177350430 510009438 /nfs/dbraw/zinc/00/94/38/510009438.db2.gz HNYPVHQDVJLBIR-UXHICEINSA-N 2 0 358.530 2.949 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000245586355 510022779 /nfs/dbraw/zinc/02/27/79/510022779.db2.gz ALUHHGZUUDVIHI-MOPGFXCFSA-N 2 0 350.551 2.767 10 0 FFAERP CN(c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000245723173 510107792 /nfs/dbraw/zinc/10/77/92/510107792.db2.gz IJHABMQJYRAJKN-CTNGQTDRSA-N 2 0 356.558 2.886 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194041006 510187980 /nfs/dbraw/zinc/18/79/80/510187980.db2.gz WGBBBOQYQBIUOF-VQTJNVASSA-N 2 0 360.546 2.784 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)[nH+]1 ZINC000171649112 510277801 /nfs/dbraw/zinc/27/78/01/510277801.db2.gz YSQJPDRYZFDXEP-IRXDYDNUSA-N 2 0 356.514 2.913 10 0 FFAERP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177884767 510309312 /nfs/dbraw/zinc/30/93/12/510309312.db2.gz UBIMWJCQURPKFJ-IRLDBZIGSA-N 2 0 368.525 2.833 10 0 FFAERP CCN(C(=O)N[C@H]1CCC[NH+](CC)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184607713 510413947 /nfs/dbraw/zinc/41/39/47/510413947.db2.gz ABLFJFHJNMRNQT-VQTJNVASSA-N 2 0 358.530 2.777 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)CC1 ZINC000184894528 510570567 /nfs/dbraw/zinc/57/05/67/510570567.db2.gz NDKJSHDEDIJNTD-FXAWDEMLSA-N 2 0 373.545 2.679 10 0 FFAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000188142862 510614605 /nfs/dbraw/zinc/61/46/05/510614605.db2.gz HUDKEXWEXQQFMB-WMLDXEAASA-N 2 0 355.320 2.817 10 0 FFAERP O[C@]12CCCC[C@@H]1C[NH+](CCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246714205 510631011 /nfs/dbraw/zinc/63/10/11/510631011.db2.gz FMFZUDXGKZMENB-CGXNFDGLSA-N 2 0 350.547 2.631 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000172255744 510631298 /nfs/dbraw/zinc/63/12/98/510631298.db2.gz DKCMWIFHVXOVKQ-WIYYLYMNSA-N 2 0 370.541 2.777 10 0 FFAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC(F)F ZINC000178609887 510686016 /nfs/dbraw/zinc/68/60/16/510686016.db2.gz KMRFNBPJJYKUCP-CQSZACIVSA-N 2 0 372.456 2.821 10 0 FFAERP C(CN1CCC[C@H]1C[NH+]1CCCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246815510 510691533 /nfs/dbraw/zinc/69/15/33/510691533.db2.gz VMLOQHHKDWAWHE-VXKWHMMOSA-N 2 0 362.606 2.887 10 0 FFAERP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)C1 ZINC000182038339 510723666 /nfs/dbraw/zinc/72/36/66/510723666.db2.gz UTXMESCHCFFWBL-UNMCSNQZSA-N 2 0 359.558 2.592 10 0 FFAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Br)cc3)CC[C@H]21 ZINC000246912828 510740458 /nfs/dbraw/zinc/74/04/58/510740458.db2.gz MRQJGNPAPQSILZ-XJKSGUPXSA-N 2 0 366.303 2.804 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000175773109 510783708 /nfs/dbraw/zinc/78/37/08/510783708.db2.gz MMBLPIICLQHNLG-LJQANCHMSA-N 2 0 352.567 2.870 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000247346469 510857993 /nfs/dbraw/zinc/85/79/93/510857993.db2.gz NUDCSBPNSUYPEJ-YLJYHZDGSA-N 2 0 358.530 2.810 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368251 510858651 /nfs/dbraw/zinc/85/86/51/510858651.db2.gz OZLRESQCGYGAAH-RLLQIKCJSA-N 2 0 358.530 2.851 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368245 510858799 /nfs/dbraw/zinc/85/87/99/510858799.db2.gz OZLRESQCGYGAAH-MISYRCLQSA-N 2 0 358.530 2.851 10 0 FFAERP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000247393083 510859452 /nfs/dbraw/zinc/85/94/52/510859452.db2.gz QKCBCESOLFZYMV-CVEARBPZSA-N 2 0 367.453 2.552 10 0 FFAERP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000247544828 510865193 /nfs/dbraw/zinc/86/51/93/510865193.db2.gz PLKFPIMYOSBTIR-PKOBYXMFSA-N 2 0 354.922 2.881 10 0 FFAERP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000048217231 507480370 /nfs/dbraw/zinc/48/03/70/507480370.db2.gz UEBVVWIOFUPEFA-FQEVSTJZSA-N 2 0 354.498 2.850 10 0 FFAERP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000081516677 508184955 /nfs/dbraw/zinc/18/49/55/508184955.db2.gz OSSHGPBLACVJSO-HKUYNNGSSA-N 2 0 354.922 2.881 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000076421476 508204163 /nfs/dbraw/zinc/20/41/63/508204163.db2.gz KFSNPPLFSLDRBT-HXUWFJFHSA-N 2 0 360.546 2.927 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113600728 508275348 /nfs/dbraw/zinc/27/53/48/508275348.db2.gz NMWBCKVDTXPBLX-IBGZPJMESA-N 2 0 358.530 2.777 10 0 FFAERP COc1cccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000106427465 508400806 /nfs/dbraw/zinc/40/08/06/508400806.db2.gz UFLUCJJCGBGKCI-NHCUHLMSSA-N 2 0 369.509 2.587 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000152394932 508437444 /nfs/dbraw/zinc/43/74/44/508437444.db2.gz CZWFELKOGURXKB-RTBURBONSA-N 2 0 350.551 2.767 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000128082664 508544750 /nfs/dbraw/zinc/54/47/50/508544750.db2.gz SBLWMOIJOBMIRF-ICSRJNTNSA-N 2 0 360.546 2.957 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)[nH+]1 ZINC000128270272 508570353 /nfs/dbraw/zinc/57/03/53/508570353.db2.gz FLZGMJUPCBEBHY-MRXNPFEDSA-N 2 0 373.526 2.617 10 0 FFAERP CCn1nc(C)c([C@@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000159351615 508828806 /nfs/dbraw/zinc/82/88/06/508828806.db2.gz OVWGSQRZECZJPP-GOSISDBHSA-N 2 0 369.557 2.988 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000131071503 508883678 /nfs/dbraw/zinc/88/36/78/508883678.db2.gz ZMGZEJMJCXGMNI-SFHVURJKSA-N 2 0 350.551 2.624 10 0 FFAERP CCC[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](C)C ZINC000120264837 508961122 /nfs/dbraw/zinc/96/11/22/508961122.db2.gz ZWFVLJZNIBPYJG-ZWKOTPCHSA-N 2 0 359.514 2.821 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000121149307 509139042 /nfs/dbraw/zinc/13/90/42/509139042.db2.gz KYNVWEOYQLSYHT-QGZVFWFLSA-N 2 0 370.497 2.794 10 0 FFAERP C[C@@H](c1cnccn1)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248607247 509387408 /nfs/dbraw/zinc/38/74/08/509387408.db2.gz GDJYUGFTNZNAKE-LAUBAEHRSA-N 2 0 354.498 2.915 10 0 FFAERP O[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000249048920 509582945 /nfs/dbraw/zinc/58/29/45/509582945.db2.gz WYXZXQXEYWMGDI-CIAFKFPVSA-N 2 0 357.542 2.618 10 0 FFAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1C[NH+]1CCCCC1 ZINC000183196914 509651777 /nfs/dbraw/zinc/65/17/77/509651777.db2.gz BDPRNNPXORROSS-YLJYHZDGSA-N 2 0 361.530 2.662 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180094627 509749002 /nfs/dbraw/zinc/74/90/02/509749002.db2.gz LYNIMMABSGLCCS-HNNXBMFYSA-N 2 0 362.543 2.673 10 0 FFAERP COc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+]2CCCCC2)cc1 ZINC000170862373 509818218 /nfs/dbraw/zinc/81/82/18/509818218.db2.gz DICYSZMIDYLYDL-QUCCMNQESA-N 2 0 374.529 2.568 10 0 FFAERP OCCC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257189506 509951781 /nfs/dbraw/zinc/95/17/81/509951781.db2.gz JBNBJZUZNLYKAS-NRFANRHFSA-N 2 0 368.525 2.925 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000171351310 510099071 /nfs/dbraw/zinc/09/90/71/510099071.db2.gz ZYJZPEWBOJJHNN-RTBURBONSA-N 2 0 350.551 2.768 10 0 FFAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000245733734 510113088 /nfs/dbraw/zinc/11/30/88/510113088.db2.gz QQDBLNBPEFXKOR-MXEMCNAFSA-N 2 0 372.509 2.694 10 0 FFAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245764320 510135679 /nfs/dbraw/zinc/13/56/79/510135679.db2.gz WCLNSBTZZJTZKZ-LWYYNNOASA-N 2 0 365.525 2.941 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000194131412 510230138 /nfs/dbraw/zinc/23/01/38/510230138.db2.gz KMMGHDYMNLVTDU-HKUYNNGSSA-N 2 0 374.529 2.616 10 0 FFAERP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171611989 510252429 /nfs/dbraw/zinc/25/24/29/510252429.db2.gz DUYYIQVUWNOYGF-OAQYLSRUSA-N 2 0 370.541 2.573 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCc4sccc4C3)C2)[nH+]1 ZINC000171650415 510279768 /nfs/dbraw/zinc/27/97/68/510279768.db2.gz RFFDNRWGURRNEB-INIZCTEOSA-N 2 0 370.522 2.770 10 0 FFAERP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246171947 510337650 /nfs/dbraw/zinc/33/76/50/510337650.db2.gz SKSVARAWSXDGGD-IRXDYDNUSA-N 2 0 350.466 2.793 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246214578 510368630 /nfs/dbraw/zinc/36/86/30/510368630.db2.gz ZYJZPEWBOJJHNN-OALUTQOASA-N 2 0 350.551 2.768 10 0 FFAERP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000246325389 510427742 /nfs/dbraw/zinc/42/77/42/510427742.db2.gz CNZNMZHJPXWGMB-WMZOPIPTSA-N 2 0 355.486 2.744 10 0 FFAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccncc3)CC2)cc1 ZINC000181594340 510490749 /nfs/dbraw/zinc/49/07/49/510490749.db2.gz HHEKVAFZBCMTMP-LJQANCHMSA-N 2 0 366.509 2.775 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246573052 510562682 /nfs/dbraw/zinc/56/26/82/510562682.db2.gz BYHYMTHMZANVMC-VQTJNVASSA-N 2 0 358.530 2.764 10 0 FFAERP Cc1ccc2nc(CSCC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000246995889 510789262 /nfs/dbraw/zinc/78/92/62/510789262.db2.gz FJDQCEYLOXNQHP-NVXWUHKLSA-N 2 0 358.511 2.571 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000247000907 510792840 /nfs/dbraw/zinc/79/28/40/510792840.db2.gz PZSKWJTVISJQHY-DYESRHJHSA-N 2 0 366.509 2.784 10 0 FFAERP O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000247053857 510818724 /nfs/dbraw/zinc/81/87/24/510818724.db2.gz ZKHAYLRQYKKZKY-MAUKXSAKSA-N 2 0 371.481 2.693 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000247281724 510855283 /nfs/dbraw/zinc/85/52/83/510855283.db2.gz SHIYSOHPKRVKIJ-LAUBAEHRSA-N 2 0 366.509 2.784 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000247366866 510858696 /nfs/dbraw/zinc/85/86/96/510858696.db2.gz OXGSLMDSDNNJNT-ZACQAIPSSA-N 2 0 364.559 2.913 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247492335 510862968 /nfs/dbraw/zinc/86/29/68/510862968.db2.gz WZBXNXKXMRYTGV-NXHRZFHOSA-N 2 0 362.518 2.753 10 0 FFAERP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000247739142 510869442 /nfs/dbraw/zinc/86/94/42/510869442.db2.gz NHQOHMXQLNAGCW-WMZOPIPTSA-N 2 0 361.530 2.655 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000193111716 729468438 /nfs/dbraw/zinc/46/84/38/729468438.db2.gz JLCMVPZLGPABPX-KBPBESRZSA-N 2 0 373.950 2.525 10 0 FFAERP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000105446580 250213460 /nfs/dbraw/zinc/21/34/60/250213460.db2.gz BPQTWHLUJCJOKG-UHFFFAOYSA-N 2 0 373.541 2.899 10 0 FFAERP CC[NH+](CC)CCOC(=O)c1ccccc1C(=O)OCC[NH+](CC)CC ZINC000004644765 207033632 /nfs/dbraw/zinc/03/36/32/207033632.db2.gz WMZHJGVYWLFJSH-UHFFFAOYSA-N 2 0 364.486 2.684 10 0 FFAERP C[NH+](C)CCN1CC2(CC[NH+](Cc3ccnc4ccccc34)CC2)OC1=O ZINC000072447328 208863797 /nfs/dbraw/zinc/86/37/97/208863797.db2.gz OQPPRVSNIIQGRX-UHFFFAOYSA-N 2 0 368.481 2.583 10 0 FFAERP Cc1nc2c(c(N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)n1)CCCC2 ZINC000302081670 258086852 /nfs/dbraw/zinc/08/68/52/258086852.db2.gz JJABIRSQZYRBNX-NHCUHLMSSA-N 2 0 364.493 2.753 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)C1 ZINC000068587652 507280446 /nfs/dbraw/zinc/28/04/46/507280446.db2.gz UIYIZTUKQCIFIX-QGZVFWFLSA-N 2 0 368.472 2.522 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407685 507727986 /nfs/dbraw/zinc/72/79/86/507727986.db2.gz DNNRRJHHLKMOQZ-UHFFFAOYSA-N 2 0 350.551 2.816 10 0 FFAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000107832973 507869093 /nfs/dbraw/zinc/86/90/93/507869093.db2.gz KORZGDAPTTZZFA-QYZOEREBSA-N 2 0 350.551 2.767 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000108471396 507895987 /nfs/dbraw/zinc/89/59/87/507895987.db2.gz GWAMNSIZHPOAAP-QUCCMNQESA-N 2 0 360.546 2.723 10 0 FFAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000108478527 507896633 /nfs/dbraw/zinc/89/66/33/507896633.db2.gz HHQBFBMXDSOLBG-SBHAEUEKSA-N 2 0 374.573 2.827 10 0 FFAERP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000108566851 507904681 /nfs/dbraw/zinc/90/46/81/507904681.db2.gz LLUUUBGCXMCVQR-UXHICEINSA-N 2 0 358.530 2.682 10 0 FFAERP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000112872666 508228456 /nfs/dbraw/zinc/22/84/56/508228456.db2.gz WZVUONKBGDHWRQ-HXUWFJFHSA-N 2 0 355.482 2.738 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102038260 508265320 /nfs/dbraw/zinc/26/53/20/508265320.db2.gz HJDFLGAENVCKSQ-DOTOQJQBSA-N 2 0 350.507 2.754 10 0 FFAERP c1cc(C2CC[NH+](CCCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)n[nH]1 ZINC000157737001 508604494 /nfs/dbraw/zinc/60/44/94/508604494.db2.gz MFIPQVKRRMOWHA-UHFFFAOYSA-N 2 0 356.518 2.972 10 0 FFAERP C[C@H](CCn1cccn1)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000157753990 508607773 /nfs/dbraw/zinc/60/77/73/508607773.db2.gz VMPMQPCMOGOKNZ-WIYYLYMNSA-N 2 0 356.514 2.697 10 0 FFAERP CCC[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](C)C ZINC000120264687 508961734 /nfs/dbraw/zinc/96/17/34/508961734.db2.gz ZWFVLJZNIBPYJG-ROUUACIJSA-N 2 0 359.514 2.821 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000247918535 509190811 /nfs/dbraw/zinc/19/08/11/509190811.db2.gz BIHDGGKCTPLXIO-YSTOQKLRSA-N 2 0 356.514 2.700 10 0 FFAERP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000191977891 509273631 /nfs/dbraw/zinc/27/36/31/509273631.db2.gz FUNPMQVFXCYDEP-UHFFFAOYSA-N 2 0 353.551 2.600 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000176279446 509418396 /nfs/dbraw/zinc/41/83/96/509418396.db2.gz FFQKMZIGAMDZDF-SJORKVTESA-N 2 0 350.507 2.788 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248731349 509457602 /nfs/dbraw/zinc/45/76/02/509457602.db2.gz JMKYEDKUYVJSKS-HBMCJLEFSA-N 2 0 370.541 2.777 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 ZINC000248905237 509538203 /nfs/dbraw/zinc/53/82/03/509538203.db2.gz UUVPKQXGNACHRH-FXAWDEMLSA-N 2 0 367.497 2.750 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000249034242 509577841 /nfs/dbraw/zinc/57/78/41/509577841.db2.gz MLJSXPLTLYKKFP-MSOLQXFVSA-N 2 0 353.551 2.599 10 0 FFAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)C12CCOCC2 ZINC000186297639 509630780 /nfs/dbraw/zinc/63/07/80/509630780.db2.gz JZUWQUKPKXFFES-WOJBJXKFSA-N 2 0 362.514 2.691 10 0 FFAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000192793877 509647166 /nfs/dbraw/zinc/64/71/66/509647166.db2.gz YPIXUFZHASQENP-LJQANCHMSA-N 2 0 355.530 2.939 10 0 FFAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)ccc1OC ZINC000183217934 509662490 /nfs/dbraw/zinc/66/24/90/509662490.db2.gz RRBYTAYVCVLTLY-QAPCUYQASA-N 2 0 357.502 2.794 10 0 FFAERP CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCOCC2 ZINC000186393535 509687153 /nfs/dbraw/zinc/68/71/53/509687153.db2.gz BAPZCTORBWKLKV-WOJBJXKFSA-N 2 0 359.514 2.862 10 0 FFAERP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)c2)CC1 ZINC000170837086 509802834 /nfs/dbraw/zinc/80/28/34/509802834.db2.gz OBFQLYJILCERSY-FQEVSTJZSA-N 2 0 358.530 2.764 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000245413789 509915747 /nfs/dbraw/zinc/91/57/47/509915747.db2.gz CDSPZQCTQAPDHK-QZTJIDSGSA-N 2 0 350.482 2.554 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000245480805 509960027 /nfs/dbraw/zinc/96/00/27/509960027.db2.gz XPNHBRRPHFKVRH-VQTJNVASSA-N 2 0 358.530 2.949 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000177517163 510109752 /nfs/dbraw/zinc/10/97/52/510109752.db2.gz GQDNRUBRNONBTA-QGZVFWFLSA-N 2 0 350.482 2.513 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000177527853 510115947 /nfs/dbraw/zinc/11/59/47/510115947.db2.gz CDSPZQCTQAPDHK-ROUUACIJSA-N 2 0 350.482 2.554 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000194131994 510229094 /nfs/dbraw/zinc/22/90/94/510229094.db2.gz ZSNCYGRJRRLOGF-ICSRJNTNSA-N 2 0 374.529 2.616 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246042505 510261045 /nfs/dbraw/zinc/26/10/45/510261045.db2.gz YLKKXOUNKGNLGE-YLJYHZDGSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171651549 510282222 /nfs/dbraw/zinc/28/22/22/510282222.db2.gz ZESHTCMHOJARFN-SFHVURJKSA-N 2 0 352.482 2.749 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000246144537 510319919 /nfs/dbraw/zinc/31/99/19/510319919.db2.gz JTKGGMKEOUNOJQ-CEXWTWQISA-N 2 0 362.493 2.697 10 0 FFAERP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000178041462 510397108 /nfs/dbraw/zinc/39/71/08/510397108.db2.gz PHFQJCZLGCVCIG-OALUTQOASA-N 2 0 360.546 2.525 10 0 FFAERP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000246617796 510585684 /nfs/dbraw/zinc/58/56/84/510585684.db2.gz MNTZKELGHPAMIU-VTHDOGFWSA-N 2 0 368.525 2.672 10 0 FFAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000172189841 510589181 /nfs/dbraw/zinc/58/91/81/510589181.db2.gz XHSVDVCALANVMM-FXAWDEMLSA-N 2 0 356.514 2.702 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000247362907 510858610 /nfs/dbraw/zinc/85/86/10/510858610.db2.gz OREQSNKBYKDAOR-QFBILLFUSA-N 2 0 350.551 2.669 10 0 FFAERP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247458528 510861410 /nfs/dbraw/zinc/86/14/10/510861410.db2.gz QDYXSSIQMDAPTB-WSTZPKSXSA-N 2 0 358.530 2.673 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000247529310 510864515 /nfs/dbraw/zinc/86/45/15/510864515.db2.gz XJTKTMSMRZLALC-MISYRCLQSA-N 2 0 356.514 2.702 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000247594691 510866964 /nfs/dbraw/zinc/86/69/64/510866964.db2.gz RZZHUKDAYGDCAH-WVVQBRDUSA-N 2 0 370.541 2.966 10 0 FFAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000262174668 729660557 /nfs/dbraw/zinc/66/05/57/729660557.db2.gz VPHVNLDBRZUNNH-ABAIWWIYSA-N 2 0 367.312 2.848 10 0 FFAERP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000888097768 734011420 /nfs/dbraw/zinc/01/14/20/734011420.db2.gz OIZBFGBHEFIWMZ-MKXGPGLRSA-N 2 0 352.906 2.918 10 0 FFAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105275066 250207930 /nfs/dbraw/zinc/20/79/30/250207930.db2.gz OKEJBRVHFAZMPS-LJQANCHMSA-N 2 0 350.551 2.624 10 0 FFAERP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Cl)c1 ZINC000106126261 250240945 /nfs/dbraw/zinc/24/09/45/250240945.db2.gz MVYWMGCETOBRNA-OAHLLOKOSA-N 2 0 367.921 2.612 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773213 507004766 /nfs/dbraw/zinc/00/47/66/507004766.db2.gz CMLXJNYWQPHBPN-SFHVURJKSA-N 2 0 360.546 2.928 10 0 FFAERP C[N@H+](CCCNC(=O)N1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000078949675 507919132 /nfs/dbraw/zinc/91/91/32/507919132.db2.gz KAOWLLSSIDLEKU-UHFFFAOYSA-N 2 0 358.530 2.778 10 0 FFAERP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000111213033 508078478 /nfs/dbraw/zinc/07/84/78/508078478.db2.gz QZZBLLGIVPBFJR-LJQANCHMSA-N 2 0 352.482 2.749 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113367169 508262407 /nfs/dbraw/zinc/26/24/07/508262407.db2.gz YRYOLJGNSJOGSL-YLJYHZDGSA-N 2 0 356.514 2.529 10 0 FFAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103307166 508305935 /nfs/dbraw/zinc/30/59/35/508305935.db2.gz BNMKRQXEPYYUBA-RTWAWAEBSA-N 2 0 374.573 2.827 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000122330678 508517764 /nfs/dbraw/zinc/51/77/64/508517764.db2.gz DVEFMTXFXOLYGL-GOSISDBHSA-N 2 0 361.534 2.847 10 0 FFAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000155226404 508952325 /nfs/dbraw/zinc/95/23/25/508952325.db2.gz DRQQARMBRXTPLC-OALUTQOASA-N 2 0 373.497 2.669 10 0 FFAERP C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155877628 509086444 /nfs/dbraw/zinc/08/64/44/509086444.db2.gz LAPGODVJQINVGB-KRWDZBQOSA-N 2 0 369.513 2.737 10 0 FFAERP CCn1cc([C@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000151924420 509111867 /nfs/dbraw/zinc/11/18/67/509111867.db2.gz NVVQJBWYIXUMNA-LAUBAEHRSA-N 2 0 356.514 2.999 10 0 FFAERP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000248410488 509302987 /nfs/dbraw/zinc/30/29/87/509302987.db2.gz XXUINEPLQRFTJG-QHAWAJNXSA-N 2 0 358.526 2.666 10 0 FFAERP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000183272009 509690416 /nfs/dbraw/zinc/69/04/16/509690416.db2.gz SSNDZIQVPVSNCF-NHCUHLMSSA-N 2 0 368.525 2.906 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245475977 509957436 /nfs/dbraw/zinc/95/74/36/509957436.db2.gz SKFTUBBNKJFQEV-QZTJIDSGSA-N 2 0 362.518 2.932 10 0 FFAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000245733728 510114319 /nfs/dbraw/zinc/11/43/19/510114319.db2.gz QQDBLNBPEFXKOR-BURNTYAHSA-N 2 0 372.509 2.694 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000171900385 510437972 /nfs/dbraw/zinc/43/79/72/510437972.db2.gz FSBOZFBSAPTXGI-GHTZIAJQSA-N 2 0 370.541 2.908 10 0 FFAERP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000171900361 510438287 /nfs/dbraw/zinc/43/82/87/510438287.db2.gz IUFMBVOFNZUXLU-OAQYLSRUSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000175641805 510707774 /nfs/dbraw/zinc/70/77/74/510707774.db2.gz QNOVQBSEEWXPIO-UYAOXDASSA-N 2 0 358.530 2.777 10 0 FFAERP Cc1ccc2nc(CSCC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000246995910 510788391 /nfs/dbraw/zinc/78/83/91/510788391.db2.gz FJDQCEYLOXNQHP-WBVHZDCISA-N 2 0 358.511 2.571 10 0 FFAERP Cc1nc(CN2CCC(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)CC2)cs1 ZINC000247359605 510858603 /nfs/dbraw/zinc/85/86/03/510858603.db2.gz OMKUHBKMBVYDEE-KDOFPFPSSA-N 2 0 364.559 2.508 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000247366860 510858767 /nfs/dbraw/zinc/85/87/67/510858767.db2.gz OXGSLMDSDNNJNT-IXDOHACOSA-N 2 0 364.559 2.913 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000247473728 510862020 /nfs/dbraw/zinc/86/20/20/510862020.db2.gz RXFYMTDJXWBAEP-XLIONFOSSA-N 2 0 358.530 2.907 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247494637 510863063 /nfs/dbraw/zinc/86/30/63/510863063.db2.gz UNUYXAKAIKUJMC-QZTJIDSGSA-N 2 0 371.529 2.529 10 0 FFAERP C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000333921273 511392491 /nfs/dbraw/zinc/39/24/91/511392491.db2.gz QMWVTGZHJYONSC-HRCADAONSA-N 2 0 350.532 2.510 10 0 FFAERP C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C[C@@H]1[NH3+] ZINC000333921274 511393025 /nfs/dbraw/zinc/39/30/25/511393025.db2.gz QMWVTGZHJYONSC-OWCLPIDISA-N 2 0 350.532 2.510 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000382726673 512879443 /nfs/dbraw/zinc/87/94/43/512879443.db2.gz UMYFRHRHNZCNGN-GHTZIAJQSA-N 2 0 351.494 2.679 10 0 FFAERP COc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ccc1Cl ZINC000888097422 734011439 /nfs/dbraw/zinc/01/14/39/734011439.db2.gz ISDFOHVYTFBFOX-RWQQGDIJSA-N 2 0 352.906 2.918 10 0 FFAERP Cc1cccc(C[NH2+][C@H]2CC3(CC[NH+](CCO)CC3)c3ccccc32)n1 ZINC000096241499 209142771 /nfs/dbraw/zinc/14/27/71/209142771.db2.gz HWJVLCNGXLISBW-NRFANRHFSA-N 2 0 351.494 2.951 10 0 FFAERP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126748 250240988 /nfs/dbraw/zinc/24/09/88/250240988.db2.gz KZBWJBITRILFMH-CQSZACIVSA-N 2 0 367.921 2.612 10 0 FFAERP CC(C)C[NH+]1CCC(CN(C)c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065374398 506290362 /nfs/dbraw/zinc/29/03/62/506290362.db2.gz SUNUVABDEHEZHZ-UHFFFAOYSA-N 2 0 355.530 2.935 10 0 FFAERP CC[NH+](CC)[C@H]1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067894162 507044587 /nfs/dbraw/zinc/04/45/87/507044587.db2.gz KIMIXRVUISPVTB-KRWDZBQOSA-N 2 0 351.498 2.710 10 0 FFAERP C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000089732770 507860105 /nfs/dbraw/zinc/86/01/05/507860105.db2.gz NFGSCXMZBYQMKB-IEBWSBKVSA-N 2 0 369.513 2.737 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000111881960 508134423 /nfs/dbraw/zinc/13/44/23/508134423.db2.gz ATJWJEYMFSEJED-NXEWRWPSSA-N 2 0 356.514 2.528 10 0 FFAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105083606 508359275 /nfs/dbraw/zinc/35/92/75/508359275.db2.gz XNPMAWPCNABQKX-SJORKVTESA-N 2 0 362.543 2.765 10 0 FFAERP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000121802991 508422222 /nfs/dbraw/zinc/42/22/22/508422222.db2.gz MKWNTEUHNVJNQO-MRXNPFEDSA-N 2 0 371.481 2.815 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000132500485 509038597 /nfs/dbraw/zinc/03/85/97/509038597.db2.gz NSDISUSWQBYATN-LPHOPBHVSA-N 2 0 350.551 2.811 10 0 FFAERP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000247976580 509208088 /nfs/dbraw/zinc/20/80/88/509208088.db2.gz GOZBOWSISFZKTB-WOJBJXKFSA-N 2 0 358.530 2.805 10 0 FFAERP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391496 509288316 /nfs/dbraw/zinc/28/83/16/509288316.db2.gz CIFBHCIYLICWQP-YPAWHYETSA-N 2 0 371.569 2.988 10 0 FFAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)CC1 ZINC000248412595 509304753 /nfs/dbraw/zinc/30/47/53/509304753.db2.gz JVBUXWVRDAYECV-XPWALMASSA-N 3 0 370.585 2.514 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248724361 509454583 /nfs/dbraw/zinc/45/45/83/509454583.db2.gz HNPZBMJDGCVGPT-RLLQIKCJSA-N 2 0 358.530 2.536 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000176361299 509465378 /nfs/dbraw/zinc/46/53/78/509465378.db2.gz OXDSJBISDMHRQN-QGZVFWFLSA-N 2 0 362.518 2.883 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000179518041 509491914 /nfs/dbraw/zinc/49/19/14/509491914.db2.gz NYPHBGOMJWXBDC-MRXNPFEDSA-N 2 0 360.477 2.536 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183057171 509571147 /nfs/dbraw/zinc/57/11/47/509571147.db2.gz VFVLDIMBYCONFS-KRWDZBQOSA-N 2 0 362.562 2.992 10 0 FFAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCOCC2 ZINC000186253982 509605747 /nfs/dbraw/zinc/60/57/47/509605747.db2.gz ZFWOBRCLEFCXQS-WOJBJXKFSA-N 2 0 362.514 2.691 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1C[NH+]1CCCCC1 ZINC000183218312 509662751 /nfs/dbraw/zinc/66/27/51/509662751.db2.gz UODCHCSPJBGFLZ-LPHOPBHVSA-N 2 0 369.513 2.938 10 0 FFAERP CCO[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCOCC2 ZINC000186393553 509687510 /nfs/dbraw/zinc/68/75/10/509687510.db2.gz BAPZCTORBWKLKV-UXHICEINSA-N 2 0 359.514 2.862 10 0 FFAERP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000170833129 509799209 /nfs/dbraw/zinc/79/92/09/509799209.db2.gz STMMECQYAFLLAS-UXHICEINSA-N 2 0 358.530 2.805 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000173892404 509838686 /nfs/dbraw/zinc/83/86/86/509838686.db2.gz KFDGRMCKZVHCER-IPMKNSEASA-N 2 0 350.551 2.909 10 0 FFAERP CCN(C(=O)N[C@H]1CCC[NH+](CC)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000253573962 509898201 /nfs/dbraw/zinc/89/82/01/509898201.db2.gz ABLFJFHJNMRNQT-PMACEKPBSA-N 2 0 358.530 2.777 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000245665213 510071070 /nfs/dbraw/zinc/07/10/70/510071070.db2.gz DRQPYZDDDTUNEJ-MJGOQNOKSA-N 2 0 374.529 2.568 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000177462077 510073610 /nfs/dbraw/zinc/07/36/10/510073610.db2.gz HNLDKLJYCBMYAT-MSOLQXFVSA-N 2 0 362.518 2.851 10 0 FFAERP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000190349672 510078783 /nfs/dbraw/zinc/07/87/83/510078783.db2.gz MXZZDWDFCOGSEV-QGZVFWFLSA-N 2 0 353.551 2.599 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000174449965 510118792 /nfs/dbraw/zinc/11/87/92/510118792.db2.gz GPPVXOFKRWZEMG-WOJBJXKFSA-N 2 0 358.530 2.907 10 0 FFAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000187478900 510289959 /nfs/dbraw/zinc/28/99/59/510289959.db2.gz MNQJVJYFDUMTMN-WOJBJXKFSA-N 2 0 358.530 2.633 10 0 FFAERP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CCC[N@H+](CC)C3)c(C)c2)CC1 ZINC000194324329 510312928 /nfs/dbraw/zinc/31/29/28/510312928.db2.gz SYNOWAQKAXWHSY-GOSISDBHSA-N 2 0 373.545 2.743 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000246236094 510381471 /nfs/dbraw/zinc/38/14/71/510381471.db2.gz NLYWDAYRTXVYJM-NJYVYQBISA-N 2 0 351.579 2.930 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000246493683 510519293 /nfs/dbraw/zinc/51/92/93/510519293.db2.gz SBLWMOIJOBMIRF-UYAOXDASSA-N 2 0 360.546 2.957 10 0 FFAERP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246566496 510559562 /nfs/dbraw/zinc/55/95/62/510559562.db2.gz ZTRZBLWXNUOPDF-PMACEKPBSA-N 2 0 356.514 2.703 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000195223045 510724467 /nfs/dbraw/zinc/72/44/67/510724467.db2.gz INACQLDDDHBRMR-SFHVURJKSA-N 2 0 371.529 2.531 10 0 FFAERP c1n[nH]cc1[C@H]1CCCC[N@H+]1CCOCC[NH+]1CCCC[C@H]1c1cn[nH]c1 ZINC000178701874 510728295 /nfs/dbraw/zinc/72/82/95/510728295.db2.gz NCXOYZQUJHPEBD-BGYRXZFFSA-N 2 0 372.517 2.904 10 0 FFAERP Cn1cc([C@@H]2CC[NH+](CCCCC[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000246924151 510747403 /nfs/dbraw/zinc/74/74/03/510747403.db2.gz IRFYVIDMFGJRAC-RTBURBONSA-N 2 0 370.545 2.603 10 0 FFAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC[C@H]21 ZINC000247343474 510857790 /nfs/dbraw/zinc/85/77/90/510857790.db2.gz XQYGRIXGSWQKKS-NHCUHLMSSA-N 2 0 370.541 2.908 10 0 FFAERP COCC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000020782107 523622019 /nfs/dbraw/zinc/62/20/19/523622019.db2.gz MZEXYVSYEWTIBX-NRFANRHFSA-N 2 0 372.509 2.637 10 0 FFAERP CCc1cccc(C)c1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106125476 250239729 /nfs/dbraw/zinc/23/97/29/250239729.db2.gz HHDFQEPAUCCARE-QGZVFWFLSA-N 2 0 361.530 2.521 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000175559128 251230022 /nfs/dbraw/zinc/23/00/22/251230022.db2.gz PPHSJQMSRBVDPD-HXUWFJFHSA-N 2 0 358.530 2.996 10 0 FFAERP CC(C[NH+]1CCC(c2cc[nH]n2)CC1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000329572227 258142001 /nfs/dbraw/zinc/14/20/01/258142001.db2.gz JBQDGOFRCXUPIA-UHFFFAOYSA-N 2 0 356.518 2.828 10 0 FFAERP C[C@@H]1CCN(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096485 258249606 /nfs/dbraw/zinc/24/96/06/258249606.db2.gz DCHRQEYHEJWRRB-IJEWVQPXSA-N 2 0 365.547 2.966 10 0 FFAERP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000333122318 258251246 /nfs/dbraw/zinc/25/12/46/258251246.db2.gz IKAHSNWPUJMBTE-MOPGFXCFSA-N 2 0 352.482 2.586 10 0 FFAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000057204780 507205539 /nfs/dbraw/zinc/20/55/39/507205539.db2.gz SDJVCJTZURRTNC-NHCUHLMSSA-N 2 0 368.525 2.761 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050136817 507667633 /nfs/dbraw/zinc/66/76/33/507667633.db2.gz TZAMWOKLHJSPBW-DLBZAZTESA-N 2 0 364.559 2.744 10 0 FFAERP C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089732723 507859905 /nfs/dbraw/zinc/85/99/05/507859905.db2.gz SBEYTFMQIKGMPR-HKUYNNGSSA-N 2 0 369.513 2.737 10 0 FFAERP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000107837405 507869826 /nfs/dbraw/zinc/86/98/26/507869826.db2.gz OOXVGRFYTWBBGU-MOPGFXCFSA-N 2 0 350.551 2.768 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093139483 508123752 /nfs/dbraw/zinc/12/37/52/508123752.db2.gz NJCHQSNGVVWNLX-HXUWFJFHSA-N 2 0 373.545 2.718 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000113598120 508275430 /nfs/dbraw/zinc/27/54/30/508275430.db2.gz NEOXTCXTLTUUQD-OXJNMPFZSA-N 2 0 374.504 2.668 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCCc3cccs3)C2)[nH+]1 ZINC000114717244 508340836 /nfs/dbraw/zinc/34/08/36/508340836.db2.gz JEYSNVVZUNKVLT-DLBZAZTESA-N 2 0 372.538 2.933 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)ccc1F ZINC000115417430 508392577 /nfs/dbraw/zinc/39/25/77/508392577.db2.gz BNRLGIIEZGMAKE-HXUWFJFHSA-N 2 0 357.473 2.676 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000119181380 508742332 /nfs/dbraw/zinc/74/23/32/508742332.db2.gz WZBXNXKXMRYTGV-SZMVWBNQSA-N 2 0 362.518 2.753 10 0 FFAERP CCC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1)[NH+](C)C ZINC000124078620 508780730 /nfs/dbraw/zinc/78/07/30/508780730.db2.gz YIKHYJYDNFFDHV-HXUWFJFHSA-N 2 0 361.530 2.754 10 0 FFAERP CC[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C[C@@H](C)O ZINC000120735122 509055533 /nfs/dbraw/zinc/05/55/33/509055533.db2.gz MLAOATKYFVVBMM-CTNGQTDRSA-N 2 0 361.574 2.922 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000121084685 509124174 /nfs/dbraw/zinc/12/41/74/509124174.db2.gz XDTBNXCJBGGCEP-ZDUSSCGKSA-N 2 0 360.420 2.952 10 0 FFAERP CCC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC)[NH+](C)C ZINC000162371323 509209708 /nfs/dbraw/zinc/20/97/08/509209708.db2.gz MKTQZEYKIGLVPQ-SFHVURJKSA-N 2 0 362.518 2.506 10 0 FFAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)[C@@H](C)C1 ZINC000248911489 509541405 /nfs/dbraw/zinc/54/14/05/509541405.db2.gz CDGAXSKTSGJGCV-VNTMZGSJSA-N 2 0 368.562 2.687 10 0 FFAERP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000245385792 509890261 /nfs/dbraw/zinc/89/02/61/509890261.db2.gz HACXJVFTGADTMH-GQIGUUNPSA-N 2 0 350.478 2.680 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245475978 509957897 /nfs/dbraw/zinc/95/78/97/509957897.db2.gz SKFTUBBNKJFQEV-ZWKOTPCHSA-N 2 0 362.518 2.932 10 0 FFAERP CN(c1ccccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000245757834 510132044 /nfs/dbraw/zinc/13/20/44/510132044.db2.gz OZTJDWHHUJAWES-SFHVURJKSA-N 2 0 371.447 2.716 10 0 FFAERP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000245806928 510152341 /nfs/dbraw/zinc/15/23/41/510152341.db2.gz YRMIKEOIHRDKFU-CRAIPNDOSA-N 2 0 357.454 2.796 10 0 FFAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H]2CCCO[C@H]21 ZINC000245934640 510215289 /nfs/dbraw/zinc/21/52/89/510215289.db2.gz TTWDFBUXYQUOED-NJDAHSKKSA-N 2 0 358.526 2.937 10 0 FFAERP Cc1cccc(CCC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000181095521 510274889 /nfs/dbraw/zinc/27/48/89/510274889.db2.gz GWLOELDCIALHIR-JOCHJYFZSA-N 2 0 359.558 2.654 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459614 510279419 /nfs/dbraw/zinc/27/94/19/510279419.db2.gz NTJUXBWNWIIMAX-HOTGVXAUSA-N 2 0 372.435 2.654 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000246410294 510473745 /nfs/dbraw/zinc/47/37/45/510473745.db2.gz RZLMZGBDQBOYFR-MSOLQXFVSA-N 2 0 362.493 2.656 10 0 FFAERP Cc1ccc(CCC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000181821358 510610886 /nfs/dbraw/zinc/61/08/86/510610886.db2.gz QFBJEPFFIUCZSU-JOCHJYFZSA-N 2 0 359.558 2.654 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCCc3cccs3)C2)[nH+]1 ZINC000246696444 510621810 /nfs/dbraw/zinc/62/18/10/510621810.db2.gz JEYSNVVZUNKVLT-IAGOWNOFSA-N 2 0 372.538 2.933 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000246704471 510625687 /nfs/dbraw/zinc/62/56/87/510625687.db2.gz ZODUNVCDOUYEMY-IZBJGVDFSA-N 2 0 356.514 2.528 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246752113 510653139 /nfs/dbraw/zinc/65/31/39/510653139.db2.gz AEVDJFPGJRWQLA-XLIONFOSSA-N 2 0 356.514 2.661 10 0 FFAERP COC(=O)c1ccc(Cl)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000181925685 510663589 /nfs/dbraw/zinc/66/35/89/510663589.db2.gz DXLJVMOGJDKEMC-CQSZACIVSA-N 2 0 368.905 2.651 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247197699 510850506 /nfs/dbraw/zinc/85/05/06/510850506.db2.gz LNWVWRXZELBWIQ-YLJYHZDGSA-N 2 0 358.530 2.907 10 0 FFAERP C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C[C@H]1[NH3+] ZINC000333921271 511392536 /nfs/dbraw/zinc/39/25/36/511392536.db2.gz QMWVTGZHJYONSC-ARFHVFGLSA-N 2 0 350.532 2.510 10 0 FFAERP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388942175 512897906 /nfs/dbraw/zinc/89/79/06/512897906.db2.gz XTGAZXOXRNZHIR-LEWJYISDSA-N 2 0 351.494 2.679 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000398057421 512953656 /nfs/dbraw/zinc/95/36/56/512953656.db2.gz LQCRESJJQSYERP-UIFIKXQLSA-N 2 0 351.494 2.583 10 0 FFAERP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+]2CCCC2)Cc2c[nH]c3cccc1c23 ZINC000049171356 209334196 /nfs/dbraw/zinc/33/41/96/209334196.db2.gz WZGVQJPPAFROMP-PMACEKPBSA-N 2 0 368.525 2.981 10 0 biogenic FFAERP CCc1ccc2c(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)oc2c1 ZINC000106126255 250241079 /nfs/dbraw/zinc/24/10/79/250241079.db2.gz BSOSGDFPMVKYPO-MRXNPFEDSA-N 2 0 372.509 2.880 10 0 FFAERP C[N@H+](CCOCC(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127276 250241812 /nfs/dbraw/zinc/24/18/12/250241812.db2.gz XVXASXSASRAFKZ-GOSISDBHSA-N 2 0 374.447 2.943 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000121094508 250661076 /nfs/dbraw/zinc/66/10/76/250661076.db2.gz CEYULIWFVPHHOK-OAHLLOKOSA-N 2 0 356.457 2.855 10 0 FFAERP CC[NH+](CC)[C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067894160 507045175 /nfs/dbraw/zinc/04/51/75/507045175.db2.gz KIMIXRVUISPVTB-QGZVFWFLSA-N 2 0 351.498 2.710 10 0 FFAERP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCCCC1 ZINC000107837402 507869794 /nfs/dbraw/zinc/86/97/94/507869794.db2.gz OOXVGRFYTWBBGU-OALUTQOASA-N 2 0 350.551 2.768 10 0 FFAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105083604 508359724 /nfs/dbraw/zinc/35/97/24/508359724.db2.gz XNPMAWPCNABQKX-IAGOWNOFSA-N 2 0 362.543 2.765 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000106126813 508395911 /nfs/dbraw/zinc/39/59/11/508395911.db2.gz GVKAZVGNDIOVQF-GJZGRUSLSA-N 2 0 367.921 2.692 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000157093120 508521305 /nfs/dbraw/zinc/52/13/05/508521305.db2.gz YNTGHZDDMKLBCZ-HOJAQTOUSA-N 2 0 358.530 2.851 10 0 FFAERP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120812435 509069111 /nfs/dbraw/zinc/06/91/11/509069111.db2.gz CQVUXDOKIJZIQJ-YADHBBJMSA-N 3 0 359.558 2.848 10 0 FFAERP CCn1cc([C@@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000151924190 509111764 /nfs/dbraw/zinc/11/17/64/509111764.db2.gz NVVQJBWYIXUMNA-UTKZUKDTSA-N 2 0 356.514 2.999 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000176129102 509336315 /nfs/dbraw/zinc/33/63/15/509336315.db2.gz XPNHBRRPHFKVRH-PMACEKPBSA-N 2 0 358.530 2.949 10 0 FFAERP C[C@H](c1cnccn1)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000248607244 509388159 /nfs/dbraw/zinc/38/81/59/509388159.db2.gz GDJYUGFTNZNAKE-DYESRHJHSA-N 2 0 354.498 2.915 10 0 FFAERP Cn1ncc(Cl)c1C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189165549 509446099 /nfs/dbraw/zinc/44/60/99/509446099.db2.gz FJZQUQVSCKLZJI-IBGZPJMESA-N 2 0 362.905 2.609 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000170941646 509859662 /nfs/dbraw/zinc/85/96/62/509859662.db2.gz PZBUGLPXNOVIEV-KDOFPFPSSA-N 2 0 374.447 2.763 10 0 FFAERP C[C@H]1C[NH+](CC2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)C[C@H](C)O1 ZINC000190210206 510007454 /nfs/dbraw/zinc/00/74/54/510007454.db2.gz DXCGTSSBPQUTQN-ROUUACIJSA-N 2 0 366.546 2.741 10 0 FFAERP C[N@H+](CC[C@H]1CCC[NH+]1C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245562732 510008445 /nfs/dbraw/zinc/00/84/45/510008445.db2.gz CQVUXDOKIJZIQJ-FGZHOGPDSA-N 3 0 359.558 2.848 10 0 FFAERP C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245593767 510026216 /nfs/dbraw/zinc/02/62/16/510026216.db2.gz LDGWAQZLQWICOW-AYOQOUSVSA-N 2 0 363.889 2.997 10 0 FFAERP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000245697027 510092017 /nfs/dbraw/zinc/09/20/17/510092017.db2.gz BESAEFUSHNHVMO-SIKLNZKXSA-N 2 0 355.526 2.972 10 0 FFAERP CN(c1ccccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CC[NH+](C)CC1 ZINC000177583708 510145533 /nfs/dbraw/zinc/14/55/33/510145533.db2.gz AXMIKMXZHSKDKF-GMAHTHKFSA-N 2 0 365.521 2.965 10 0 FFAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000190472277 510150702 /nfs/dbraw/zinc/15/07/02/510150702.db2.gz IAWPVDSTOJARCU-SFHVURJKSA-N 2 0 353.466 2.807 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000190494555 510165418 /nfs/dbraw/zinc/16/54/18/510165418.db2.gz BLVAKFHQAFRGLY-GOSISDBHSA-N 2 0 353.551 2.600 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000171605246 510248704 /nfs/dbraw/zinc/24/87/04/510248704.db2.gz SASPSWWHNUUINB-RBUKOAKNSA-N 2 0 355.482 2.706 10 0 FFAERP C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000190654961 510263711 /nfs/dbraw/zinc/26/37/11/510263711.db2.gz ASCNTSKHVGBABH-ICSRJNTNSA-N 2 0 358.530 2.626 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171649812 510279803 /nfs/dbraw/zinc/27/98/03/510279803.db2.gz CNHHDQPNSUNIBM-IRXDYDNUSA-N 2 0 370.472 2.968 10 0 FFAERP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000174765964 510299338 /nfs/dbraw/zinc/29/93/38/510299338.db2.gz HOHVWCUJZXPVSP-INIZCTEOSA-N 2 0 354.454 2.853 10 0 FFAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000246270734 510399446 /nfs/dbraw/zinc/39/94/46/510399446.db2.gz IWVOEGAONWTEGN-GHTZIAJQSA-N 2 0 372.557 2.675 10 0 FFAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171888156 510430044 /nfs/dbraw/zinc/43/00/44/510430044.db2.gz CNFYHFMGPWRYMZ-KRWDZBQOSA-N 2 0 360.502 2.719 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000246885173 510726925 /nfs/dbraw/zinc/72/69/25/510726925.db2.gz DUIRGFIFUVWENN-HHXXYDBFSA-N 2 0 368.481 2.684 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000175806699 510799972 /nfs/dbraw/zinc/79/99/72/510799972.db2.gz KRXLPGUKVVDTAN-HKUYNNGSSA-N 2 0 361.534 2.878 10 0 FFAERP CC1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000185348531 510817123 /nfs/dbraw/zinc/81/71/23/510817123.db2.gz OYTXPNDYWKDZTL-UHFFFAOYSA-N 2 0 355.526 2.985 10 0 FFAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000247204250 510851576 /nfs/dbraw/zinc/85/15/76/510851576.db2.gz UMVLQAXIYYHEFI-NUJGCVRESA-N 2 0 362.543 2.621 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000247344256 510857763 /nfs/dbraw/zinc/85/77/63/510857763.db2.gz NSDISUSWQBYATN-QFBILLFUSA-N 2 0 350.551 2.811 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247556725 510865562 /nfs/dbraw/zinc/86/55/62/510865562.db2.gz ZSVVSWJZZZUFTQ-XLIONFOSSA-N 2 0 358.530 2.905 10 0 FFAERP [NH3+][C@@H](C(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000328636160 511903170 /nfs/dbraw/zinc/90/31/70/511903170.db2.gz NWTIMEWIRAQCBS-QZTJIDSGSA-N 2 0 355.507 2.919 10 0 FFAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000169789003 728982830 /nfs/dbraw/zinc/98/28/30/728982830.db2.gz WCFYUWOEKVQKCY-JSGCOSHPSA-N 2 0 359.333 2.551 10 0 FFAERP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000888097769 734011492 /nfs/dbraw/zinc/01/14/92/734011492.db2.gz OIZBFGBHEFIWMZ-NCXUSEDFSA-N 2 0 352.906 2.918 10 0 FFAERP COc1cc(C[NH2+][C@H](C)Cc2cc(C)n[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000055060504 506669901 /nfs/dbraw/zinc/66/99/01/506669901.db2.gz BDRXRTSZDZBFGL-MRXNPFEDSA-N 2 0 372.513 2.922 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000052552756 507813485 /nfs/dbraw/zinc/81/34/85/507813485.db2.gz DQYKAGZZMZULQL-LJQANCHMSA-N 2 0 362.493 2.574 10 0 FFAERP C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000108747828 507916143 /nfs/dbraw/zinc/91/61/43/507916143.db2.gz AXSIQMMQVKNKRO-QUCCMNQESA-N 2 0 360.546 2.581 10 0 FFAERP C[N@H+](CCN1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1)Cc1ccccc1 ZINC000108865423 507922371 /nfs/dbraw/zinc/92/23/71/507922371.db2.gz LHFODUSPNLUOCJ-HSZRJFAPSA-N 2 0 367.537 2.644 10 0 FFAERP COc1cccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000106427462 508400685 /nfs/dbraw/zinc/40/06/85/508400685.db2.gz UFLUCJJCGBGKCI-RTWAWAEBSA-N 2 0 369.509 2.587 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156561046 508440412 /nfs/dbraw/zinc/44/04/12/508440412.db2.gz PZSKWJTVISJQHY-UTKZUKDTSA-N 2 0 366.509 2.784 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)CC2)CC1 ZINC000152775807 508513178 /nfs/dbraw/zinc/51/31/78/508513178.db2.gz LZXAPCRKZWPDEY-FVELJTHGSA-N 2 0 362.562 2.908 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000157815946 508616334 /nfs/dbraw/zinc/61/63/34/508616334.db2.gz SFGRONJKLWLNRT-RXVVDRJESA-N 2 0 372.557 2.987 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000248087839 509233291 /nfs/dbraw/zinc/23/32/91/509233291.db2.gz SYBWGNAUJYTZEQ-IHPCNDPISA-N 2 0 356.514 2.559 10 0 FFAERP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000192118913 509354354 /nfs/dbraw/zinc/35/43/54/509354354.db2.gz HFQVMKVGPRFAKG-JOCHJYFZSA-N 3 0 367.541 2.783 10 0 FFAERP COc1ccc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1Cl ZINC000182887507 509478956 /nfs/dbraw/zinc/47/89/56/509478956.db2.gz DCPZEOARNPGRRW-KRWDZBQOSA-N 2 0 351.922 2.951 10 0 FFAERP COC(=O)C1CCC([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000192442077 509517843 /nfs/dbraw/zinc/51/78/43/509517843.db2.gz YZPLAEDZPGNTKF-CBNMVNINSA-N 2 0 374.525 2.753 10 0 FFAERP C[N@H+](C[C@@H](O)CC(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249382525 509666745 /nfs/dbraw/zinc/66/67/45/509666745.db2.gz QPKDAVQTBPRNQU-ZWKOTPCHSA-N 2 0 374.447 2.677 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000173852977 509817164 /nfs/dbraw/zinc/81/71/64/509817164.db2.gz GALXNOZOOBHVLB-NHCUHLMSSA-N 2 0 370.541 2.703 10 0 FFAERP CCOc1ccc(C(C)=O)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000170941954 509859897 /nfs/dbraw/zinc/85/98/97/509859897.db2.gz LMRGLSPHFPCZHA-MRXNPFEDSA-N 2 0 362.514 2.813 10 0 FFAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000245433884 509927983 /nfs/dbraw/zinc/92/79/83/509927983.db2.gz QNOVQBSEEWXPIO-ICSRJNTNSA-N 2 0 358.530 2.777 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000177363173 510014251 /nfs/dbraw/zinc/01/42/51/510014251.db2.gz YGXHGEYOECAEGQ-OAQYLSRUSA-N 2 0 372.557 2.819 10 0 FFAERP C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180654285 510036839 /nfs/dbraw/zinc/03/68/39/510036839.db2.gz GVUSBLPFJUQLFH-OAHLLOKOSA-N 2 0 369.469 2.681 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000245658735 510067238 /nfs/dbraw/zinc/06/72/38/510067238.db2.gz CWVCTAJSIAVHFB-GUDVDZBRSA-N 2 0 362.493 2.697 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193803335 510078213 /nfs/dbraw/zinc/07/82/13/510078213.db2.gz AGNLHFPZFPOWFQ-FCHUYYIVSA-N 2 0 365.521 2.798 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000245678888 510079153 /nfs/dbraw/zinc/07/91/53/510079153.db2.gz GFMMHVMOBOXLBN-GUDVDZBRSA-N 2 0 350.551 2.767 10 0 FFAERP CC[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1C[C@H](C)O ZINC000245744195 510122760 /nfs/dbraw/zinc/12/27/60/510122760.db2.gz MLAOATKYFVVBMM-FPOVZHCZSA-N 2 0 361.574 2.922 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245908611 510202259 /nfs/dbraw/zinc/20/22/59/510202259.db2.gz CWQVYBSRTPAMFA-XLIONFOSSA-N 2 0 373.545 2.733 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccsc1 ZINC000194145097 510236633 /nfs/dbraw/zinc/23/66/33/510236633.db2.gz GGCNWWMVLHZGNI-IRXDYDNUSA-N 2 0 352.548 2.915 10 0 FFAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171662254 510291219 /nfs/dbraw/zinc/29/12/19/510291219.db2.gz ILCPCYBHTJVLNJ-NRFANRHFSA-N 2 0 370.541 2.778 10 0 FFAERP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177882723 510307566 /nfs/dbraw/zinc/30/75/66/510307566.db2.gz CVLIYNXSNKAKCW-IIBYNOLFSA-N 2 0 356.514 2.825 10 0 FFAERP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246218631 510371432 /nfs/dbraw/zinc/37/14/32/510371432.db2.gz OSSHGPBLACVJSO-IEBWSBKVSA-N 2 0 354.922 2.881 10 0 FFAERP O=c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278956 510403130 /nfs/dbraw/zinc/40/31/30/510403130.db2.gz ATZFMRXLTXJTFM-IFXJQAMLSA-N 2 0 354.450 2.947 10 0 FFAERP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178160105 510464108 /nfs/dbraw/zinc/46/41/08/510464108.db2.gz QPBRXAKKOCRHBO-INIZCTEOSA-N 2 0 354.502 2.968 10 0 FFAERP Cc1ccc2c(c1)[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000181677581 510536177 /nfs/dbraw/zinc/53/61/77/510536177.db2.gz GCEAANLZVFSYKK-OXJNMPFZSA-N 2 0 358.530 2.554 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2)CC1 ZINC000184925240 510589326 /nfs/dbraw/zinc/58/93/26/510589326.db2.gz ZFLOEIKNEJKQGB-FXAWDEMLSA-N 2 0 371.529 2.529 10 0 FFAERP CC[C@@H]1CN(C(=O)c2cccc(Oc3ccncc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246676881 510612160 /nfs/dbraw/zinc/61/21/60/510612160.db2.gz AQXLPFAKEZJIGE-FUHWJXTLSA-N 2 0 369.465 2.791 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000175772169 510783861 /nfs/dbraw/zinc/78/38/61/510783861.db2.gz JOHHKXTZFMRJMQ-PKOBYXMFSA-N 2 0 350.551 2.623 10 0 FFAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000247000923 510793262 /nfs/dbraw/zinc/79/32/62/510793262.db2.gz PZSKWJTVISJQHY-LAUBAEHRSA-N 2 0 366.509 2.784 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000247541850 510865010 /nfs/dbraw/zinc/86/50/10/510865010.db2.gz YMRWMTIPQLEYKD-RXVVDRJESA-N 2 0 370.541 2.572 10 0 FFAERP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000247770655 510869748 /nfs/dbraw/zinc/86/97/48/510869748.db2.gz PBESNFHTFDMTCT-IRXDYDNUSA-N 2 0 361.530 2.601 10 0 FFAERP [NH3+][C@@H](C(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000328636164 511902921 /nfs/dbraw/zinc/90/29/21/511902921.db2.gz NWTIMEWIRAQCBS-ZWKOTPCHSA-N 2 0 355.507 2.919 10 0 FFAERP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388942177 512898077 /nfs/dbraw/zinc/89/80/77/512898077.db2.gz XTGAZXOXRNZHIR-NHCUHLMSSA-N 2 0 351.494 2.679 10 0 FFAERP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000047832633 728038430 /nfs/dbraw/zinc/03/84/30/728038430.db2.gz ZXPHFUXVHAQCSR-SJORKVTESA-N 2 0 360.527 2.953 10 0 FFAERP CCOc1cccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c1 ZINC000012707737 220020311 /nfs/dbraw/zinc/02/03/11/220020311.db2.gz JCOPXHZCRYKCHD-UHFFFAOYSA-N 2 0 361.530 2.755 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000175545755 251225716 /nfs/dbraw/zinc/22/57/16/251225716.db2.gz PBGLTFKRDXOURU-CVEARBPZSA-N 2 0 361.515 2.730 10 0 FFAERP C[NH+]1CCC(N2CC[N@H+](Cc3cccc4ccccc43)C[C@H]2CCO)CC1 ZINC000104418065 222358588 /nfs/dbraw/zinc/35/85/88/222358588.db2.gz KSFXELLXEUJLHU-JOCHJYFZSA-N 2 0 367.537 2.803 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000108472786 507896422 /nfs/dbraw/zinc/89/64/22/507896422.db2.gz ZRRNVARCCAMYBL-IBGZPJMESA-N 2 0 360.546 2.723 10 0 FFAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000109544847 507968459 /nfs/dbraw/zinc/96/84/59/507968459.db2.gz UJJYPARXGSLOQT-OALUTQOASA-N 2 0 373.541 2.687 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000106430737 508400699 /nfs/dbraw/zinc/40/06/99/508400699.db2.gz IFPIEMWDFDGIMO-JOCHJYFZSA-N 2 0 365.521 2.724 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000158012104 508644719 /nfs/dbraw/zinc/64/47/19/508644719.db2.gz DWAVDWYPZHPUJC-ZSYWTGECSA-N 2 0 352.567 2.772 10 0 FFAERP 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ZINC000182935261 509504442 /nfs/dbraw/zinc/50/44/42/509504442.db2.gz UOINAWHMMTUSAA-MSOLQXFVSA-N 2 0 362.562 2.909 10 0 FFAERP COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+]2CCCCC2)cc1 ZINC000170862376 509817982 /nfs/dbraw/zinc/81/79/82/509817982.db2.gz DICYSZMIDYLYDL-ICSRJNTNSA-N 2 0 374.529 2.568 10 0 FFAERP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C[C@@H](C)O1 ZINC000245386647 509889111 /nfs/dbraw/zinc/88/91/11/509889111.db2.gz PKYIJGUHSQWOLC-STXHMFSFSA-N 2 0 368.468 2.819 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000245676929 510078095 /nfs/dbraw/zinc/07/80/95/510078095.db2.gz GALXNOZOOBHVLB-SFTDATJTSA-N 2 0 370.541 2.703 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1F ZINC000245974971 510235488 /nfs/dbraw/zinc/23/54/88/510235488.db2.gz ONHAMLDBHJWYGK-LPHOPBHVSA-N 2 0 362.493 2.513 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC2)CC1 ZINC000262412909 510271745 /nfs/dbraw/zinc/27/17/45/510271745.db2.gz ADNQJPOISOSSDQ-ACBHZAAOSA-N 2 0 373.545 2.581 10 0 FFAERP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171662251 510291009 /nfs/dbraw/zinc/29/10/09/510291009.db2.gz ILCPCYBHTJVLNJ-OAQYLSRUSA-N 2 0 370.541 2.778 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246298895 510413639 /nfs/dbraw/zinc/41/36/39/510413639.db2.gz AIYXVHPNWCBTRN-CEWLAPEOSA-N 2 0 355.526 2.635 10 0 FFAERP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171892212 510434019 /nfs/dbraw/zinc/43/40/19/510434019.db2.gz CPUVJYIEOSNQQX-IBGZPJMESA-N 2 0 374.554 2.590 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)CC2)CC1 ZINC000246564442 510558744 /nfs/dbraw/zinc/55/87/44/510558744.db2.gz LZXAPCRKZWPDEY-YNIZLOQISA-N 2 0 362.562 2.908 10 0 FFAERP CCCC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000194956661 510608296 /nfs/dbraw/zinc/60/82/96/510608296.db2.gz LQFLKAPIKMZXQP-UHFFFAOYSA-N 2 0 350.551 2.768 10 0 FFAERP O[C@@]12CCCC[C@H]1C[NH+](CCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246714221 510631524 /nfs/dbraw/zinc/63/15/24/510631524.db2.gz FMFZUDXGKZMENB-UJOPUZHASA-N 2 0 350.547 2.631 10 0 FFAERP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246824419 510695456 /nfs/dbraw/zinc/69/54/56/510695456.db2.gz WOZAKUYCKJGJAZ-JKSUJKDBSA-N 2 0 358.486 2.822 10 0 FFAERP COc1cc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(OC)c1 ZINC000246964839 510773701 /nfs/dbraw/zinc/77/37/01/510773701.db2.gz VDIHZCQYKFMGIA-MGPUTAFESA-N 2 0 373.497 2.591 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000175773126 510784077 /nfs/dbraw/zinc/78/40/77/510784077.db2.gz MMBLPIICLQHNLG-IBGZPJMESA-N 2 0 352.567 2.870 10 0 FFAERP O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000247053875 510819196 /nfs/dbraw/zinc/81/91/96/510819196.db2.gz ZKHAYLRQYKKZKY-YJBOKZPZSA-N 2 0 371.481 2.693 10 0 FFAERP 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ZINC000107837727 507869837 /nfs/dbraw/zinc/86/98/37/507869837.db2.gz OWXYSDLDLIPOEH-RTWAWAEBSA-N 2 0 372.557 2.819 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000111881958 508134535 /nfs/dbraw/zinc/13/45/35/508134535.db2.gz ATJWJEYMFSEJED-RAFMOHDBSA-N 2 0 356.514 2.528 10 0 FFAERP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1)c1ccccc1 ZINC000113626072 508277410 /nfs/dbraw/zinc/27/74/10/508277410.db2.gz LGGNHERNUHHSLX-HKUYNNGSSA-N 2 0 358.530 2.996 10 0 FFAERP C(CN1CCC[C@H]1C[NH+]1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000114718440 508340595 /nfs/dbraw/zinc/34/05/95/508340595.db2.gz VMLOQHHKDWAWHE-SZPZYZBQSA-N 2 0 362.606 2.887 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000106126850 508395908 /nfs/dbraw/zinc/39/59/08/508395908.db2.gz ZNTBTUAPDFHYEE-AWEZNQCLSA-N 2 0 355.320 2.974 10 0 FFAERP CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000154569661 508811493 /nfs/dbraw/zinc/81/14/93/508811493.db2.gz 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510151361 /nfs/dbraw/zinc/15/13/61/510151361.db2.gz IAWPVDSTOJARCU-GOSISDBHSA-N 2 0 353.466 2.807 10 0 FFAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000181050665 510257424 /nfs/dbraw/zinc/25/74/24/510257424.db2.gz PPKNSSVQSOKKOS-SFHVURJKSA-N 2 0 358.530 2.777 10 0 FFAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246115313 510302315 /nfs/dbraw/zinc/30/23/15/510302315.db2.gz FYAGBFIXJAJVRW-WSTZPKSXSA-N 2 0 365.562 2.597 10 0 FFAERP Cn1ncc2c1CCC[C@H]2[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177884795 510309553 /nfs/dbraw/zinc/30/95/53/510309553.db2.gz UBIMWJCQURPKFJ-IFMALSPDSA-N 2 0 368.525 2.833 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184781606 510513989 /nfs/dbraw/zinc/51/39/89/510513989.db2.gz KZOSATQTLBBOSF-UYAOXDASSA-N 2 0 355.526 2.984 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)c2)CC1 ZINC000184894545 510570275 /nfs/dbraw/zinc/57/02/75/510570275.db2.gz NDKJSHDEDIJNTD-PXNSSMCTSA-N 2 0 373.545 2.679 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000246652532 510602413 /nfs/dbraw/zinc/60/24/13/510602413.db2.gz DEDVLTSQBRRZHI-PMPSAXMXSA-N 2 0 350.532 2.619 10 0 FFAERP O[C@]12CCCC[C@@H]1C[NH+](CCC[N@@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246714231 510631447 /nfs/dbraw/zinc/63/14/47/510631447.db2.gz FMFZUDXGKZMENB-WOZUAGRISA-N 2 0 350.547 2.631 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000247521236 510864293 /nfs/dbraw/zinc/86/42/93/510864293.db2.gz ZDGJOTBWZKITKC-KURKYZTESA-N 2 0 362.518 2.835 10 0 FFAERP CCC[NH+]1CCC(CNC(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000102003865 1004990541 /nfs/dbraw/zinc/99/05/41/1004990541.db2.gz NFQZRZNKNDZIQO-UHFFFAOYSA-N 2 0 355.486 2.794 10 0 FFAERP [NH3+]CC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073696203 211689904 /nfs/dbraw/zinc/68/99/04/211689904.db2.gz DZRDIJNZWWWVAZ-UHFFFAOYSA-N 2 0 366.387 2.626 10 0 FFAERP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cnc2n1 ZINC000092813217 250003895 /nfs/dbraw/zinc/00/38/95/250003895.db2.gz JWZPZDNXWLVBIE-KRWDZBQOSA-N 2 0 350.470 2.984 10 0 FFAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000105275070 250208273 /nfs/dbraw/zinc/20/82/73/250208273.db2.gz OKEJBRVHFAZMPS-IBGZPJMESA-N 2 0 350.551 2.624 10 0 FFAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000131586868 251000842 /nfs/dbraw/zinc/00/08/42/251000842.db2.gz QBWHPQLZCDQHAI-OAQYLSRUSA-N 2 0 373.541 2.740 10 0 FFAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330171030 258157645 /nfs/dbraw/zinc/15/76/45/258157645.db2.gz DZXOPPVRSXALDT-DBXWQHBBSA-N 2 0 367.497 2.969 10 0 FFAERP CCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000107842741 507869726 /nfs/dbraw/zinc/86/97/26/507869726.db2.gz CTMBTSMMWHHPGV-LJQANCHMSA-N 2 0 350.551 2.911 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000105222190 508366600 /nfs/dbraw/zinc/36/66/00/508366600.db2.gz LZAXWEDQPIEWEE-MSOLQXFVSA-N 2 0 360.502 2.605 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000106427438 508400755 /nfs/dbraw/zinc/40/07/55/508400755.db2.gz YRHRJWNCBSAYHV-VQTJNVASSA-N 2 0 357.473 2.718 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000106459522 508401113 /nfs/dbraw/zinc/40/11/13/508401113.db2.gz CBXUNNIDVBQHEU-PMACEKPBSA-N 2 0 357.473 2.718 10 0 FFAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3coc(-c4ccccc4)n3)C2)CC1 ZINC000152278855 508414725 /nfs/dbraw/zinc/41/47/25/508414725.db2.gz MBYMLGMMDSYYKD-HXUWFJFHSA-N 2 0 354.498 2.944 10 0 FFAERP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150814135 508898904 /nfs/dbraw/zinc/89/89/04/508898904.db2.gz FAJSUAQWMOXJHC-IEBWSBKVSA-N 2 0 352.906 2.635 10 0 FFAERP CCC[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000161532285 509126372 /nfs/dbraw/zinc/12/63/72/509126372.db2.gz BXILFVPBPWZZEF-FUHIMQAGSA-N 2 0 361.530 2.642 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000178929893 509188541 /nfs/dbraw/zinc/18/85/41/509188541.db2.gz XYVQVKSOTZHTAM-QZTJIDSGSA-N 2 0 362.518 2.836 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248087848 509231725 /nfs/dbraw/zinc/23/17/25/509231725.db2.gz SYBWGNAUJYTZEQ-YSIASYRMSA-N 2 0 356.514 2.559 10 0 FFAERP O[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399103 509293414 /nfs/dbraw/zinc/29/34/14/509293414.db2.gz JPLNTVCZHCQTBN-SSGKUCQKSA-N 2 0 371.569 2.724 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176317112 509440881 /nfs/dbraw/zinc/44/08/81/509440881.db2.gz MLXSMNYQMSBLHV-FQEVSTJZSA-N 2 0 358.530 2.777 10 0 FFAERP C[N@H+](C[C@H](O)CC(F)(F)F)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189181590 509452907 /nfs/dbraw/zinc/45/29/07/509452907.db2.gz QPKDAVQTBPRNQU-QZTJIDSGSA-N 2 0 374.447 2.677 10 0 FFAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170828746 509795456 /nfs/dbraw/zinc/79/54/56/509795456.db2.gz YLKKXOUNKGNLGE-XLIONFOSSA-N 2 0 358.530 2.907 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000170829449 509798388 /nfs/dbraw/zinc/79/83/88/509798388.db2.gz BFMZBRCAKLFASY-ZWKOTPCHSA-N 2 0 364.921 2.822 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000177358788 510012521 /nfs/dbraw/zinc/01/25/21/510012521.db2.gz KFMTVVSDIRYNPW-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000171351529 510098985 /nfs/dbraw/zinc/09/89/85/510098985.db2.gz RWDYSTVCQXCOKS-RTBURBONSA-N 2 0 350.551 2.624 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194020377 510179566 /nfs/dbraw/zinc/17/95/66/510179566.db2.gz OCOLFBCDHHZELT-HXUWFJFHSA-N 2 0 358.530 2.684 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000245941971 510220282 /nfs/dbraw/zinc/22/02/82/510220282.db2.gz JXGQEIIBJWLLEN-VQTJNVASSA-N 2 0 358.530 2.764 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194270929 510287014 /nfs/dbraw/zinc/28/70/14/510287014.db2.gz AXYNTCZDRUHAGW-NHCUHLMSSA-N 2 0 372.557 2.928 10 0 FFAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000246304857 510418121 /nfs/dbraw/zinc/41/81/21/510418121.db2.gz NKCFOAIECDEXAH-LEWJYISDSA-N 2 0 368.525 2.697 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000246393501 510463782 /nfs/dbraw/zinc/46/37/82/510463782.db2.gz RCOUVOLLMRGQAA-SJORKVTESA-N 2 0 350.507 2.707 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000175136504 510498411 /nfs/dbraw/zinc/49/84/11/510498411.db2.gz NALKIRVKPGCWNT-RBUKOAKNSA-N 2 0 350.551 2.911 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000246461607 510502632 /nfs/dbraw/zinc/50/26/32/510502632.db2.gz JOHHKXTZFMRJMQ-HKUYNNGSSA-N 2 0 350.551 2.623 10 0 FFAERP c1n[nH]cc1[C@H]1CCCC[NH+]1CCOCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000178701887 510728571 /nfs/dbraw/zinc/72/85/71/510728571.db2.gz NCXOYZQUJHPEBD-WOJBJXKFSA-N 2 0 372.517 2.904 10 0 FFAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000247101124 510834701 /nfs/dbraw/zinc/83/47/01/510834701.db2.gz FEBDPOOWJANOND-HMXCVIKNSA-N 2 0 372.557 2.919 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000247243528 510853972 /nfs/dbraw/zinc/85/39/72/510853972.db2.gz NEOXTCXTLTUUQD-UZLBHIALSA-N 2 0 374.504 2.668 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000247376506 510859163 /nfs/dbraw/zinc/85/91/63/510859163.db2.gz FTYIGDXFHWOSTK-DLBZAZTESA-N 2 0 350.532 2.621 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC)c1 ZINC000247498533 510863356 /nfs/dbraw/zinc/86/33/56/510863356.db2.gz NCZDSAWYZNVLOC-AZUAARDMSA-N 2 0 374.529 2.568 10 0 FFAERP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(Cl)c1 ZINC000888097770 734011376 /nfs/dbraw/zinc/01/13/76/734011376.db2.gz OIZBFGBHEFIWMZ-YRXWBPOGSA-N 2 0 352.906 2.918 10 0 FFAERP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000333838871 965353735 /nfs/dbraw/zinc/35/37/35/965353735.db2.gz USKGQVXRGRREBJ-PLACYPQZSA-N 2 0 370.541 2.810 10 0 FFAERP CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1CC ZINC000116928153 250323191 /nfs/dbraw/zinc/32/31/91/250323191.db2.gz UYBFYVZPHMZDMT-IBGZPJMESA-N 2 0 362.518 2.713 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000175531927 251223747 /nfs/dbraw/zinc/22/37/47/251223747.db2.gz BOXNYPHAYWWLGW-OALUTQOASA-N 2 0 355.486 2.668 10 0 FFAERP Cc1c[nH+]ccc1N1CCCN(c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065409881 221216511 /nfs/dbraw/zinc/21/65/11/221216511.db2.gz QIWFMUYLRKLYOZ-UHFFFAOYSA-N 2 0 362.481 2.551 10 0 FFAERP C(=C/CN1CCC([NH+]2CCCC2)CC1)\CN1CCC([NH+]2CCCC2)CC1 ZINC000066532896 506548332 /nfs/dbraw/zinc/54/83/32/506548332.db2.gz NTVPKCOJXWVYEC-OWOJBTEDSA-N 2 0 360.590 2.663 10 0 FFAERP O[C@H](COc1ccccc1C[NH2+]CC1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012459175 506868219 /nfs/dbraw/zinc/86/82/19/506868219.db2.gz UNNQQUBVHBMITI-QFIPXVFZSA-N 2 0 366.505 2.984 10 0 FFAERP C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000089732772 507859802 /nfs/dbraw/zinc/85/98/02/507859802.db2.gz NFGSCXMZBYQMKB-MJGOQNOKSA-N 2 0 369.513 2.737 10 0 FFAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000109544844 507968377 /nfs/dbraw/zinc/96/83/77/507968377.db2.gz UJJYPARXGSLOQT-RTBURBONSA-N 2 0 373.541 2.687 10 0 FFAERP C[N@H+](CCCNC(=O)N1CCC([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000127223633 508417628 /nfs/dbraw/zinc/41/76/28/508417628.db2.gz NVYFIWPJLRXSQV-UHFFFAOYSA-N 2 0 350.551 2.911 10 0 FFAERP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000124141819 508788072 /nfs/dbraw/zinc/78/80/72/508788072.db2.gz XWIUCQDOEMBBSU-LJQANCHMSA-N 2 0 354.922 2.881 10 0 FFAERP C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651300 509417250 /nfs/dbraw/zinc/41/72/50/509417250.db2.gz MRULKELBNYWTAR-HKUYNNGSSA-N 2 0 352.482 2.863 10 0 FFAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCOCC2 ZINC000186339665 509656992 /nfs/dbraw/zinc/65/69/92/509656992.db2.gz WFCYQOSNJRYYJV-MOPGFXCFSA-N 2 0 350.478 2.951 10 0 FFAERP Cc1nc([C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000189782742 509749369 /nfs/dbraw/zinc/74/93/69/509749369.db2.gz PNXGYCZUVSFTRF-KRWDZBQOSA-N 2 0 350.532 2.577 10 0 FFAERP CC1CC[NH+]([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc2)CC1 ZINC000170833123 509799080 /nfs/dbraw/zinc/79/90/80/509799080.db2.gz STMMECQYAFLLAS-PMACEKPBSA-N 2 0 358.530 2.805 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000170835166 509801427 /nfs/dbraw/zinc/80/14/27/509801427.db2.gz HRFSMBBPRGJRNE-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000245413669 509915339 /nfs/dbraw/zinc/91/53/39/509915339.db2.gz BRBUXOPBUDGNEP-FPOVZHCZSA-N 2 0 370.541 2.527 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000245417505 509917651 /nfs/dbraw/zinc/91/76/51/509917651.db2.gz KCHZJJAJIRIKBJ-NHCUHLMSSA-N 2 0 372.557 2.677 10 0 FFAERP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000245606378 510034643 /nfs/dbraw/zinc/03/46/43/510034643.db2.gz AFZGOPMRIWQHPD-OALUTQOASA-N 2 0 358.530 2.994 10 0 FFAERP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000190357847 510084181 /nfs/dbraw/zinc/08/41/81/510084181.db2.gz OTLMRUIACAYBRU-UHFFFAOYSA-N 2 0 367.578 2.846 10 0 FFAERP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177748854 510231612 /nfs/dbraw/zinc/23/16/12/510231612.db2.gz ISHABXHRVCEQHG-VQTJNVASSA-N 2 0 352.482 2.786 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000246103332 510295027 /nfs/dbraw/zinc/29/50/27/510295027.db2.gz IFOCPQVYFQZKGG-SJLPKXTDSA-N 2 0 370.472 2.968 10 0 FFAERP O=c1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccc(O)cc2o1 ZINC000246278974 510403587 /nfs/dbraw/zinc/40/35/87/510403587.db2.gz ATZFMRXLTXJTFM-LIRRHRJNSA-N 2 0 354.450 2.947 10 0 FFAERP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246303187 510416014 /nfs/dbraw/zinc/41/60/14/510416014.db2.gz VMLPEBGQBMPXLH-YLJYHZDGSA-N 2 0 373.545 2.597 10 0 FFAERP C[C@@]1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000187970987 510526932 /nfs/dbraw/zinc/52/69/32/510526932.db2.gz JRWCTOYLQQUTCI-CTNGQTDRSA-N 2 0 356.514 2.531 10 0 FFAERP Cc1ccc2c(c1)[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](C)C2 ZINC000181677599 510535709 /nfs/dbraw/zinc/53/57/09/510535709.db2.gz GCEAANLZVFSYKK-JXFKEZNVSA-N 2 0 358.530 2.554 10 0 FFAERP O=c1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2ccc(Cl)cn12 ZINC000246576553 510565825 /nfs/dbraw/zinc/56/58/25/510565825.db2.gz LQLGCTMKIWJHBS-KBXCAEBGSA-N 2 0 372.900 2.797 10 0 FFAERP COc1ccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246978483 510778830 /nfs/dbraw/zinc/77/88/30/510778830.db2.gz VSZCARCCHVHROB-JXFKEZNVSA-N 2 0 357.498 2.973 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000247275943 510855028 /nfs/dbraw/zinc/85/50/28/510855028.db2.gz KCZLEERQPQALMY-GHTZIAJQSA-N 2 0 372.557 2.676 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000247375131 510858832 /nfs/dbraw/zinc/85/88/32/510858832.db2.gz FSBOZFBSAPTXGI-NQIIRXRSSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)CC1CC[NH+](CCOC)CC1 ZINC000020878106 521632584 /nfs/dbraw/zinc/63/25/84/521632584.db2.gz CFWYRMLOYWBDOV-JOCHJYFZSA-N 2 0 374.573 2.726 10 0 FFAERP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106126751 250239758 /nfs/dbraw/zinc/23/97/58/250239758.db2.gz KZBWJBITRILFMH-AWEZNQCLSA-N 2 0 367.921 2.612 10 0 FFAERP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000175534705 251223237 /nfs/dbraw/zinc/22/32/37/251223237.db2.gz CPHHVUPQBXOKAN-AWEZNQCLSA-N 2 0 352.910 2.726 10 0 FFAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000175531967 251223296 /nfs/dbraw/zinc/22/32/96/251223296.db2.gz BOXNYPHAYWWLGW-RBUKOAKNSA-N 2 0 355.486 2.668 10 0 FFAERP CCc1c(C)[nH+]c2ccccc2c1NC1CC[NH+](C[C@@H](O)COC)CC1 ZINC000302073949 258086141 /nfs/dbraw/zinc/08/61/41/258086141.db2.gz WXVGNHCNIGCNPX-QGZVFWFLSA-N 2 0 357.498 2.989 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](C)C[C@@H]3C[NH3+])CC2)CC1 ZINC000333126317 258251289 /nfs/dbraw/zinc/25/12/89/258251289.db2.gz BCMZGQROQGEARU-MKCYZYCBSA-N 2 0 350.551 2.798 10 0 FFAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107847193 507870241 /nfs/dbraw/zinc/87/02/41/507870241.db2.gz LVZUEXHWNSOZIR-MOPGFXCFSA-N 2 0 350.551 2.767 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000073653003 507942881 /nfs/dbraw/zinc/94/28/81/507942881.db2.gz LRNZKNITNDPHQC-ICSRJNTNSA-N 2 0 360.546 2.880 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105170076 508363821 /nfs/dbraw/zinc/36/38/21/508363821.db2.gz GLSPHGZOTPDKNN-SFTDATJTSA-N 2 0 372.557 2.819 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2Br)CC1 ZINC000106126630 508396042 /nfs/dbraw/zinc/39/60/42/508396042.db2.gz KAIXHNPFRBIAMM-CQSZACIVSA-N 2 0 355.320 2.974 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000106434390 508400737 /nfs/dbraw/zinc/40/07/37/508400737.db2.gz IDQQQOMSIWQWCZ-MOPGFXCFSA-N 2 0 357.498 2.952 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000152391983 508436718 /nfs/dbraw/zinc/43/67/18/508436718.db2.gz NTUACOKOQWNBJD-LJQANCHMSA-N 2 0 350.551 2.624 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CC2)CC1 ZINC000152774044 508513439 /nfs/dbraw/zinc/51/34/39/508513439.db2.gz GCXRJMGUMUYVLX-SOAGJPPSSA-N 2 0 362.562 2.909 10 0 FFAERP C[C@@H](CCn1cccn1)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000157753840 508606805 /nfs/dbraw/zinc/60/68/05/508606805.db2.gz VMPMQPCMOGOKNZ-GHTZIAJQSA-N 2 0 356.514 2.697 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000124138541 508787771 /nfs/dbraw/zinc/78/77/71/508787771.db2.gz BZIMAZFFWBVVMQ-RLLQIKCJSA-N 2 0 362.562 2.765 10 0 FFAERP O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+]1CCCCC1 ZINC000248399102 509294093 /nfs/dbraw/zinc/29/40/93/509294093.db2.gz JPLNTVCZHCQTBN-GSPCLOLRSA-N 2 0 371.569 2.724 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406118 509300737 /nfs/dbraw/zinc/30/07/37/509300737.db2.gz SBCPYFMJOIQEHV-VXNCWWDNSA-N 2 0 350.551 2.667 10 0 FFAERP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173285900 509505008 /nfs/dbraw/zinc/50/50/08/509505008.db2.gz YXYCYDGDXXQUPD-FQEVSTJZSA-N 2 0 366.594 2.517 10 0 FFAERP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)C12CCOCC2 ZINC000186393496 509688031 /nfs/dbraw/zinc/68/80/31/509688031.db2.gz BAPZCTORBWKLKV-VQTJNVASSA-N 2 0 359.514 2.862 10 0 FFAERP COc1ccc([C@H](C)C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180048369 509725031 /nfs/dbraw/zinc/72/50/31/509725031.db2.gz WJTSEYYAELYVLO-QGZVFWFLSA-N 2 0 369.509 2.880 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180093789 509749511 /nfs/dbraw/zinc/74/95/11/509749511.db2.gz IEVRAYLRWJBSMM-AWEZNQCLSA-N 2 0 362.543 2.798 10 0 FFAERP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000252353173 509834261 /nfs/dbraw/zinc/83/42/61/509834261.db2.gz SAXLWRZVPFKPBI-IRXDYDNUSA-N 2 0 361.530 2.601 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000170941645 509859303 /nfs/dbraw/zinc/85/93/03/509859303.db2.gz PZBUGLPXNOVIEV-KSSFIOAISA-N 2 0 374.447 2.763 10 0 FFAERP COc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193336968 509872096 /nfs/dbraw/zinc/87/20/96/509872096.db2.gz XXCWWFHFVDURFX-OAQYLSRUSA-N 2 0 369.509 2.968 10 0 FFAERP COC(=O)c1coc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1 ZINC000190466240 510146790 /nfs/dbraw/zinc/14/67/90/510146790.db2.gz QWXDPXNHJJRRKD-CQSZACIVSA-N 2 0 363.483 2.785 10 0 FFAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000245924012 510209355 /nfs/dbraw/zinc/20/93/55/510209355.db2.gz HKFKXPJKHATDDN-LEWJYISDSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000194131654 510229129 /nfs/dbraw/zinc/22/91/29/510229129.db2.gz XWEOZIVIBAIFHZ-HOTGVXAUSA-N 2 0 350.532 2.669 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000246196194 510353422 /nfs/dbraw/zinc/35/34/22/510353422.db2.gz MSCMRPZASYVXDQ-QWFCFKBJSA-N 2 0 374.529 2.566 10 0 FFAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000181324566 510356026 /nfs/dbraw/zinc/35/60/26/510356026.db2.gz BKOJUUZTGZFELD-KRWDZBQOSA-N 2 0 358.530 2.681 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194448163 510369510 /nfs/dbraw/zinc/36/95/10/510369510.db2.gz PBPSNMYPZOSONQ-VQTJNVASSA-N 2 0 358.530 2.634 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000184781630 510514091 /nfs/dbraw/zinc/51/40/91/510514091.db2.gz KZOSATQTLBBOSF-AZUAARDMSA-N 2 0 355.526 2.984 10 0 FFAERP Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000246543138 510546583 /nfs/dbraw/zinc/54/65/83/510546583.db2.gz VQXMEWRSDZYIBB-AEFFLSMTSA-N 2 0 362.518 2.786 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000246652517 510602430 /nfs/dbraw/zinc/60/24/30/510602430.db2.gz DEDVLTSQBRRZHI-OWCLPIDISA-N 2 0 350.532 2.619 10 0 FFAERP Cc1nccn1C[C@H]1CCCN1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000175806720 510800187 /nfs/dbraw/zinc/80/01/87/510800187.db2.gz KRXLPGUKVVDTAN-PKOBYXMFSA-N 2 0 361.534 2.878 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccccc1 ZINC000247097844 510834725 /nfs/dbraw/zinc/83/47/25/510834725.db2.gz IIXQXPXCFQYSGY-AOIWGVFYSA-N 2 0 358.530 2.994 10 0 FFAERP CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000247153318 510846313 /nfs/dbraw/zinc/84/63/13/510846313.db2.gz YOTJMNNQWOYODW-HOTGVXAUSA-N 2 0 361.534 2.732 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000247544464 510865040 /nfs/dbraw/zinc/86/50/40/510865040.db2.gz YRYOLJGNSJOGSL-XLIONFOSSA-N 2 0 356.514 2.529 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000247551540 510865412 /nfs/dbraw/zinc/86/54/12/510865412.db2.gz ZHFYSWUMRLSNPL-KPFFTGBYSA-N 2 0 359.489 2.733 10 0 FFAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582430793 518750247 /nfs/dbraw/zinc/75/02/47/518750247.db2.gz HYTFTUPVOYBFGS-PWRODBHTSA-N 2 0 355.526 2.889 10 0 FFAERP COc1ccc(C[NH+](C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012300404 506845767 /nfs/dbraw/zinc/84/57/67/506845767.db2.gz ZDDJBNHAAUXAMU-LJQANCHMSA-N 2 0 358.482 2.629 10 0 FFAERP C[N@H+](CCN1CC[NH+](C[C@](C)(O)c2ccccc2)CC1)Cc1ccccc1 ZINC000108865424 507922605 /nfs/dbraw/zinc/92/26/05/507922605.db2.gz LHFODUSPNLUOCJ-QHCPKHFHSA-N 2 0 367.537 2.644 10 0 FFAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000113583698 508274184 /nfs/dbraw/zinc/27/41/84/508274184.db2.gz AEVDJFPGJRWQLA-FXAWDEMLSA-N 2 0 356.514 2.661 10 0 FFAERP Cc1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000106434307 508400648 /nfs/dbraw/zinc/40/06/48/508400648.db2.gz YJIWOXQIOXKRHN-SFTDATJTSA-N 2 0 353.510 2.887 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000106434393 508400748 /nfs/dbraw/zinc/40/07/48/508400748.db2.gz IDQQQOMSIWQWCZ-RTBURBONSA-N 2 0 357.498 2.952 10 0 FFAERP c1cnn(CC2CC[NH+](CCC[NH+]3CCC(Cn4cccn4)CC3)CC2)c1 ZINC000157980928 508640876 /nfs/dbraw/zinc/64/08/76/508640876.db2.gz PJXXRWIPCSOBBP-UHFFFAOYSA-N 2 0 370.545 2.594 10 0 FFAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000118784945 508672487 /nfs/dbraw/zinc/67/24/87/508672487.db2.gz FYAGBFIXJAJVRW-GGPKGHCWSA-N 2 0 365.562 2.597 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000131071264 508883462 /nfs/dbraw/zinc/88/34/62/508883462.db2.gz ZMGZEJMJCXGMNI-GOSISDBHSA-N 2 0 350.551 2.624 10 0 FFAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000155226161 508952310 /nfs/dbraw/zinc/95/23/10/508952310.db2.gz XYSHBLFMWCSPOM-ROUUACIJSA-N 2 0 361.461 2.799 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000132252606 509007355 /nfs/dbraw/zinc/00/73/55/509007355.db2.gz ATIQULXGNMDRMV-MJGOQNOKSA-N 2 0 352.567 2.772 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000132381330 509023348 /nfs/dbraw/zinc/02/33/48/509023348.db2.gz KBMBTSOGDJJNTB-QUCCMNQESA-N 2 0 358.530 2.633 10 0 FFAERP C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000155877749 509086483 /nfs/dbraw/zinc/08/64/83/509086483.db2.gz LAPGODVJQINVGB-QGZVFWFLSA-N 2 0 369.513 2.737 10 0 FFAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247976734 509209150 /nfs/dbraw/zinc/20/91/50/509209150.db2.gz KZZVMDAKOFIRSR-BHIYHBOVSA-N 2 0 352.906 2.634 10 0 FFAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[C@@H](C)C1 ZINC000247991392 509210844 /nfs/dbraw/zinc/21/08/44/509210844.db2.gz JLOYGFIMHKGANZ-YUXAGFNASA-N 3 0 359.558 2.752 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410550 509302744 /nfs/dbraw/zinc/30/27/44/509302744.db2.gz YCWDXTPAIUXZRZ-OKZBNKHCSA-N 2 0 352.567 2.915 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000176455288 509520967 /nfs/dbraw/zinc/52/09/67/509520967.db2.gz LNMNQQUKZDJOKN-NQIIRXRSSA-N 2 0 372.557 2.721 10 0 FFAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000248917671 509543517 /nfs/dbraw/zinc/54/35/17/509543517.db2.gz UZPHUJHHEPPSEP-YLJYHZDGSA-N 2 0 373.541 2.848 10 0 FFAERP Cc1ccc(OC2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)nc1 ZINC000192784851 509643240 /nfs/dbraw/zinc/64/32/40/509643240.db2.gz PANBFHROZQBXPS-UHFFFAOYSA-N 2 0 360.546 2.649 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000176971918 509791804 /nfs/dbraw/zinc/79/18/04/509791804.db2.gz GDMALAKUDCFQRC-OAQYLSRUSA-N 2 0 372.557 2.532 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170828774 509796795 /nfs/dbraw/zinc/79/67/95/509796795.db2.gz HTVDHGVUMOWAFW-PXNSSMCTSA-N 2 0 358.530 2.764 10 0 FFAERP Cn1cc([C@H]2CCC[N@@H+]2C/C=C\C[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000255047626 509915356 /nfs/dbraw/zinc/91/53/56/509915356.db2.gz NQJYOOBEGNQKGT-PYSGZSLQSA-N 2 0 354.502 2.684 10 0 FFAERP O=C(NCCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194020389 510179518 /nfs/dbraw/zinc/17/95/18/510179518.db2.gz OCOLFBCDHHZELT-FQEVSTJZSA-N 2 0 358.530 2.684 10 0 FFAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000245924019 510208731 /nfs/dbraw/zinc/20/87/31/510208731.db2.gz HKFKXPJKHATDDN-SFTDATJTSA-N 2 0 370.541 2.908 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1F ZINC000245974974 510236630 /nfs/dbraw/zinc/23/66/30/510236630.db2.gz ONHAMLDBHJWYGK-QFBILLFUSA-N 2 0 362.493 2.513 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)CC1 ZINC000262412910 510272208 /nfs/dbraw/zinc/27/22/08/510272208.db2.gz ADNQJPOISOSSDQ-CTWPCTMYSA-N 2 0 373.545 2.581 10 0 FFAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246115303 510303393 /nfs/dbraw/zinc/30/33/93/510303393.db2.gz FYAGBFIXJAJVRW-QWFCFKBJSA-N 2 0 365.562 2.597 10 0 FFAERP COc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000171828736 510396984 /nfs/dbraw/zinc/39/69/84/510396984.db2.gz IHLAJBHHGHEWKI-OAQYLSRUSA-N 2 0 369.509 2.968 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000174988725 510422467 /nfs/dbraw/zinc/42/24/67/510422467.db2.gz RZLMZGBDQBOYFR-QZTJIDSGSA-N 2 0 362.493 2.656 10 0 FFAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000194763415 510516176 /nfs/dbraw/zinc/51/61/76/510516176.db2.gz HRWIEABYRJSURS-NRFANRHFSA-N 2 0 370.541 2.527 10 0 FFAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246636422 510596014 /nfs/dbraw/zinc/59/60/14/510596014.db2.gz XSTBNCWISXKDIM-GGPKGHCWSA-N 2 0 370.541 2.633 10 0 FFAERP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000175772150 510783836 /nfs/dbraw/zinc/78/38/36/510783836.db2.gz JOHHKXTZFMRJMQ-IEBWSBKVSA-N 2 0 350.551 2.623 10 0 FFAERP Cn1cc([C@H]2CC[NH+](CCCCC[N@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000172658655 510838558 /nfs/dbraw/zinc/83/85/58/510838558.db2.gz IRFYVIDMFGJRAC-OALUTQOASA-N 2 0 370.545 2.603 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368260 510858655 /nfs/dbraw/zinc/85/86/55/510858655.db2.gz OZLRESQCGYGAAH-YZGWKJHDSA-N 2 0 358.530 2.851 10 0 FFAERP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000247458521 510861429 /nfs/dbraw/zinc/86/14/29/510861429.db2.gz QDYXSSIQMDAPTB-QWFCFKBJSA-N 2 0 358.530 2.673 10 0 FFAERP Cn1nccc1[C@H]1[C@H](C[NH2+]CC2=Cc3ccccc3OC2)CCCN1C ZINC000284682809 511823375 /nfs/dbraw/zinc/82/33/75/511823375.db2.gz XIGAUEKOSBMYQL-GHTZIAJQSA-N 2 0 352.482 2.869 10 0 FFAERP CC1CC[NH+]([C@@H](CNC(=O)N2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000333928750 729812593 /nfs/dbraw/zinc/81/25/93/729812593.db2.gz XRSPHZZTIARYFC-HOTGVXAUSA-N 2 0 350.532 2.654 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c(F)c1 ZINC000888098962 734011520 /nfs/dbraw/zinc/01/15/20/734011520.db2.gz NYPLACAPVVOCEF-XGBLFZJKSA-N 2 0 350.478 2.965 10 0 FFAERP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000106125103 250240741 /nfs/dbraw/zinc/24/07/41/250240741.db2.gz BFSDOGHCUCHQFK-QZTJIDSGSA-N 2 0 361.530 2.655 10 0 FFAERP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1 ZINC000013732854 211053946 /nfs/dbraw/zinc/05/39/46/211053946.db2.gz HJZAPRNVNAITON-UHFFFAOYSA-N 2 0 358.482 2.726 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000052498251 507810800 /nfs/dbraw/zinc/81/08/00/507810800.db2.gz HURXGCVSTIFPQK-QUCCMNQESA-N 2 0 374.529 2.616 10 0 FFAERP C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000089732771 507859875 /nfs/dbraw/zinc/85/98/75/507859875.db2.gz NFGSCXMZBYQMKB-HKUYNNGSSA-N 2 0 369.513 2.737 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000105093613 508360168 /nfs/dbraw/zinc/36/01/68/508360168.db2.gz TXTPKTWTBCNNDL-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP C[C@H](CCn1cccn1)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000157753694 508606349 /nfs/dbraw/zinc/60/63/49/508606349.db2.gz VMPMQPCMOGOKNZ-NQIIRXRSSA-N 2 0 356.514 2.697 10 0 FFAERP CCC[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[NH+](C)C ZINC000120264540 508960809 /nfs/dbraw/zinc/96/08/09/508960809.db2.gz ZWFVLJZNIBPYJG-QZTJIDSGSA-N 2 0 359.514 2.821 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000132335296 509016659 /nfs/dbraw/zinc/01/66/59/509016659.db2.gz JIRREELQALXAEE-GIVPXCGWSA-N 2 0 372.557 2.879 10 0 FFAERP C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155895469 509088255 /nfs/dbraw/zinc/08/82/55/509088255.db2.gz UPZLRDNMMVACEH-KRWDZBQOSA-N 2 0 369.513 2.737 10 0 FFAERP CCC[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000161532157 509126450 /nfs/dbraw/zinc/12/64/50/509126450.db2.gz BXILFVPBPWZZEF-QKLQHJQFSA-N 2 0 361.530 2.642 10 0 FFAERP CCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC ZINC000121109636 509130591 /nfs/dbraw/zinc/13/05/91/509130591.db2.gz DWFVMGZFYVXEGN-MRXNPFEDSA-N 2 0 350.503 2.619 10 0 FFAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000247991387 509210708 /nfs/dbraw/zinc/21/07/08/509210708.db2.gz JLOYGFIMHKGANZ-BVYCBKJFSA-N 3 0 359.558 2.752 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248399463 509293564 /nfs/dbraw/zinc/29/35/64/509293564.db2.gz JWWAYXLVVDGCTJ-SOAMZJECSA-N 2 0 362.562 2.908 10 0 FFAERP C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651302 509418652 /nfs/dbraw/zinc/41/86/52/509418652.db2.gz MRULKELBNYWTAR-MJGOQNOKSA-N 2 0 352.482 2.863 10 0 FFAERP C[N@H+](C[C@H](O)CC(F)(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189181557 509451955 /nfs/dbraw/zinc/45/19/55/509451955.db2.gz QPKDAVQTBPRNQU-MSOLQXFVSA-N 2 0 374.447 2.677 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179471539 509461385 /nfs/dbraw/zinc/46/13/85/509461385.db2.gz BIHDGGKCTPLXIO-UAFMIMERSA-N 2 0 356.514 2.700 10 0 FFAERP COc1ccc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1Cl ZINC000182887487 509477711 /nfs/dbraw/zinc/47/77/11/509477711.db2.gz DCPZEOARNPGRRW-QGZVFWFLSA-N 2 0 351.922 2.951 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000249759879 509756401 /nfs/dbraw/zinc/75/64/01/509756401.db2.gz KMMGHDYMNLVTDU-PKOBYXMFSA-N 2 0 374.529 2.616 10 0 FFAERP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc3ccccc3n2C)ncn1 ZINC000180166083 509789430 /nfs/dbraw/zinc/78/94/30/509789430.db2.gz CIBKVNPLWSGOND-GJZGRUSLSA-N 2 0 365.485 2.725 10 0 FFAERP O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193474660 509930595 /nfs/dbraw/zinc/93/05/95/509930595.db2.gz JIKUKDBHEVFLHT-UHFFFAOYSA-N 2 0 350.894 2.871 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000177400882 510037346 /nfs/dbraw/zinc/03/73/46/510037346.db2.gz FAEFAZZDASVOCI-OTWHNJEPSA-N 2 0 352.567 2.870 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000245678891 510079942 /nfs/dbraw/zinc/07/99/42/510079942.db2.gz GFMMHVMOBOXLBN-OTWHNJEPSA-N 2 0 350.551 2.767 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000245682452 510081589 /nfs/dbraw/zinc/08/15/89/510081589.db2.gz GPPVXOFKRWZEMG-PMACEKPBSA-N 2 0 358.530 2.907 10 0 FFAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245691689 510088222 /nfs/dbraw/zinc/08/82/22/510088222.db2.gz XICMIHFINYKNKB-YSIASYRMSA-N 2 0 358.530 2.805 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000190493799 510165516 /nfs/dbraw/zinc/16/55/16/510165516.db2.gz MLJSXPLTLYKKFP-ROUUACIJSA-N 2 0 353.551 2.599 10 0 FFAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190665490 510271156 /nfs/dbraw/zinc/27/11/56/510271156.db2.gz ZIMWHXAVUNCNOS-HXUWFJFHSA-N 2 0 366.509 2.737 10 0 FFAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC)c1 ZINC000171899543 510438169 /nfs/dbraw/zinc/43/81/69/510438169.db2.gz NCZDSAWYZNVLOC-QUCCMNQESA-N 2 0 374.529 2.568 10 0 FFAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246348599 510439996 /nfs/dbraw/zinc/43/99/96/510439996.db2.gz CYHZKPQTQGKUTQ-OTWHNJEPSA-N 2 0 350.551 2.624 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000246401215 510467427 /nfs/dbraw/zinc/46/74/27/510467427.db2.gz KCKNUDNKPGUIEJ-GUDVDZBRSA-N 2 0 350.551 2.623 10 0 FFAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000194763400 510516392 /nfs/dbraw/zinc/51/63/92/510516392.db2.gz HRWIEABYRJSURS-OAQYLSRUSA-N 2 0 370.541 2.527 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246568714 510560438 /nfs/dbraw/zinc/56/04/38/510560438.db2.gz ZHXDWTVAHDNWLB-UXHICEINSA-N 2 0 358.530 2.634 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000246568719 510560767 /nfs/dbraw/zinc/56/07/67/510560767.db2.gz ZHXDWTVAHDNWLB-WOJBJXKFSA-N 2 0 358.530 2.634 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000184893757 510568852 /nfs/dbraw/zinc/56/88/52/510568852.db2.gz UNNAINUTHRILBD-HXUWFJFHSA-N 2 0 373.545 2.777 10 0 FFAERP O[C@@]12CCCC[C@@H]1C[NH+](CCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246714213 510631948 /nfs/dbraw/zinc/63/19/48/510631948.db2.gz FMFZUDXGKZMENB-NCYKPQTJSA-N 2 0 350.547 2.631 10 0 FFAERP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246942434 510759362 /nfs/dbraw/zinc/75/93/62/510759362.db2.gz IXJCEPUSZWOUBL-NUABRCLCSA-N 2 0 358.530 2.670 10 0 FFAERP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000247204276 510851620 /nfs/dbraw/zinc/85/16/20/510851620.db2.gz UMVLQAXIYYHEFI-SOLBZPMBSA-N 2 0 362.543 2.621 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000247344265 510857749 /nfs/dbraw/zinc/85/77/49/510857749.db2.gz NSDISUSWQBYATN-VQIMIIECSA-N 2 0 350.551 2.811 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000247567731 510865899 /nfs/dbraw/zinc/86/58/99/510865899.db2.gz GVKAZVGNDIOVQF-HUUCEWRRSA-N 2 0 367.921 2.692 10 0 FFAERP Clc1ccc(-c2noc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n2)cc1 ZINC000333877123 511380232 /nfs/dbraw/zinc/38/02/32/511380232.db2.gz TUSXWOGMUVCNEM-CVEARBPZSA-N 2 0 374.872 2.590 10 0 FFAERP C[C@H]1C[C@H](CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)C[C@@H](C)C1 ZINC000375336156 512274001 /nfs/dbraw/zinc/27/40/01/512274001.db2.gz HMLYVFLRABKALM-AERCQKQUSA-N 2 0 351.579 2.789 10 0 FFAERP CC1CC[NH+](CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107828075 507869458 /nfs/dbraw/zinc/86/94/58/507869458.db2.gz YIQLIVXZJOUDDZ-IBGZPJMESA-N 2 0 350.551 2.768 10 0 FFAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000107837345 507869601 /nfs/dbraw/zinc/86/96/01/507869601.db2.gz DHXQCSNENBOSDP-SFHVURJKSA-N 2 0 350.551 2.909 10 0 FFAERP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000108479069 507896601 /nfs/dbraw/zinc/89/66/01/507896601.db2.gz FNGVCRCTNXSRMK-HBFSDRIKSA-N 2 0 360.546 2.579 10 0 FFAERP C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCCCC1 ZINC000108747832 507915958 /nfs/dbraw/zinc/91/59/58/507915958.db2.gz AXSIQMMQVKNKRO-AZUAARDMSA-N 2 0 360.546 2.581 10 0 FFAERP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000111631522 508111339 /nfs/dbraw/zinc/11/13/39/508111339.db2.gz HUDSDPPXSSUHDJ-RXVVDRJESA-N 2 0 353.510 2.796 10 0 FFAERP O[C@H](C[NH+]1CCC(C[NH2+]Cc2cn3ccccc3n2)CC1)c1ccccc1 ZINC000113441589 508268048 /nfs/dbraw/zinc/26/80/48/508268048.db2.gz QLWAHGPHMSOGGC-OAQYLSRUSA-N 2 0 364.493 2.870 10 0 FFAERP CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000159082550 508790475 /nfs/dbraw/zinc/79/04/75/508790475.db2.gz OKFDOVUFUGXSAJ-HZPDHXFCSA-N 2 0 355.548 2.612 10 0 FFAERP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000126962908 509153030 /nfs/dbraw/zinc/15/30/30/509153030.db2.gz GBDZNLHLNWAMSI-UHFFFAOYSA-N 2 0 358.461 2.577 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000247918531 509192098 /nfs/dbraw/zinc/19/20/98/509192098.db2.gz BIHDGGKCTPLXIO-WTGUMLROSA-N 2 0 356.514 2.700 10 0 FFAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COCc3ccc(Cl)cc3)CC[C@@H]21 ZINC000162788320 509301977 /nfs/dbraw/zinc/30/19/77/509301977.db2.gz KZZVMDAKOFIRSR-NEWSRXKRSA-N 2 0 352.906 2.634 10 0 FFAERP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248551444 509360219 /nfs/dbraw/zinc/36/02/19/509360219.db2.gz GUBYPBQRMOLBIU-JZXOWHBKSA-N 2 0 352.906 2.804 10 0 FFAERP COc1ccc(OC(F)F)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179516498 509492059 /nfs/dbraw/zinc/49/20/59/509492059.db2.gz PGMRZJUYXIKUQF-AWEZNQCLSA-N 2 0 372.456 2.821 10 0 FFAERP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]([NH3+])c1ccccc1 ZINC000249041949 509582294 /nfs/dbraw/zinc/58/22/94/509582294.db2.gz GXRVOTNBISBPKP-DYLQCGAMSA-N 2 0 373.447 2.863 10 0 FFAERP COc1ccc([C@@H](C)C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180048354 509724710 /nfs/dbraw/zinc/72/47/10/509724710.db2.gz WJTSEYYAELYVLO-KRWDZBQOSA-N 2 0 369.509 2.880 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000176971935 509790383 /nfs/dbraw/zinc/79/03/83/509790383.db2.gz GDMALAKUDCFQRC-NRFANRHFSA-N 2 0 372.557 2.532 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000245463832 509951984 /nfs/dbraw/zinc/95/19/84/509951984.db2.gz HJLKBMXRICLOFJ-WMLDXEAASA-N 2 0 368.472 2.693 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245546470 509995452 /nfs/dbraw/zinc/99/54/52/509995452.db2.gz DIIWBQCLLQPOAO-OKZBNKHCSA-N 2 0 364.921 2.869 10 0 FFAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)C1 ZINC000193901522 510120544 /nfs/dbraw/zinc/12/05/44/510120544.db2.gz HQAGIORTZPQTMT-IRLDBZIGSA-N 2 0 359.558 2.907 10 0 FFAERP Cc1cccc(CCC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000181095540 510275119 /nfs/dbraw/zinc/27/51/19/510275119.db2.gz GWLOELDCIALHIR-QFIPXVFZSA-N 2 0 359.558 2.654 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3F)C2)[nH+]1 ZINC000171651701 510282769 /nfs/dbraw/zinc/28/27/69/510282769.db2.gz XNOZAMDOYOXXSX-KRWDZBQOSA-N 2 0 370.472 2.922 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000246196198 510353509 /nfs/dbraw/zinc/35/35/09/510353509.db2.gz MSCMRPZASYVXDQ-WSTZPKSXSA-N 2 0 374.529 2.566 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000174988741 510423343 /nfs/dbraw/zinc/42/33/43/510423343.db2.gz RZLMZGBDQBOYFR-ZWKOTPCHSA-N 2 0 362.493 2.656 10 0 FFAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900388 510439913 /nfs/dbraw/zinc/43/99/13/510439913.db2.gz JRHUBVKLSLMFNB-WIYYLYMNSA-N 2 0 370.541 2.908 10 0 FFAERP C[C@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630493 510511717 /nfs/dbraw/zinc/51/17/17/510511717.db2.gz AADXXBMCPYQGKO-FBBABVLZSA-N 2 0 357.542 2.929 10 0 FFAERP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000172134679 510560909 /nfs/dbraw/zinc/56/09/09/510560909.db2.gz UNUYXAKAIKUJMC-ZWKOTPCHSA-N 2 0 371.529 2.529 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172241275 510619127 /nfs/dbraw/zinc/61/91/27/510619127.db2.gz KKLOOHWLINARJE-YLJYHZDGSA-N 2 0 356.514 2.661 10 0 FFAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000175639941 510706584 /nfs/dbraw/zinc/70/65/84/510706584.db2.gz VMTUKZXHIQPCGU-YZGWKJHDSA-N 2 0 356.514 2.529 10 0 FFAERP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000246942406 510758590 /nfs/dbraw/zinc/75/85/90/510758590.db2.gz IXJCEPUSZWOUBL-NSOKGPEJSA-N 2 0 358.530 2.670 10 0 FFAERP C(CCC[N@@H+]1CCCN(C2CC2)CC1)CC[NH+]1CCCN(C2CC2)CC1 ZINC000172543960 510783567 /nfs/dbraw/zinc/78/35/67/510783567.db2.gz IUQPJWPWKOIKFR-UHFFFAOYSA-N 2 0 362.606 2.887 10 0 FFAERP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC[C@H]21 ZINC000247294615 510855733 /nfs/dbraw/zinc/85/57/33/510855733.db2.gz UHVXXFRHQIBAPJ-NHCUHLMSSA-N 2 0 370.541 2.908 10 0 FFAERP COCC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000020782109 523624619 /nfs/dbraw/zinc/62/46/19/523624619.db2.gz MZEXYVSYEWTIBX-OAQYLSRUSA-N 2 0 372.509 2.637 10 0 FFAERP CCc1cccc(C)c1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000106125479 250240618 /nfs/dbraw/zinc/24/06/18/250240618.db2.gz HHDFQEPAUCCARE-KRWDZBQOSA-N 2 0 361.530 2.521 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000106124465 250241426 /nfs/dbraw/zinc/24/14/26/250241426.db2.gz XEYKMLYNDVGCJT-AWEZNQCLSA-N 2 0 364.921 2.751 10 0 FFAERP Nc1c(Br)cc(Br)cc1[C@@H]([NH3+])CCCC[NH3+] ZINC000575439569 518221295 /nfs/dbraw/zinc/22/12/95/518221295.db2.gz HQQRZBSBOISVDU-JTQLQIEISA-N 2 0 351.086 2.923 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000050136816 507667225 /nfs/dbraw/zinc/66/72/25/507667225.db2.gz TZAMWOKLHJSPBW-IRXDYDNUSA-N 2 0 364.559 2.744 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)[nH+]1 ZINC000109327074 507955289 /nfs/dbraw/zinc/95/52/89/507955289.db2.gz HVGMRUDLSVXYOX-PKOBYXMFSA-N 2 0 350.466 2.929 10 0 FFAERP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000079653912 507987919 /nfs/dbraw/zinc/98/79/19/507987919.db2.gz JEZUHHAGNLREAF-LJQANCHMSA-N 2 0 362.493 2.698 10 0 FFAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccccc1 ZINC000113625361 508277765 /nfs/dbraw/zinc/27/77/65/508277765.db2.gz OJTQFROSWZQEJO-IEBWSBKVSA-N 2 0 358.530 2.996 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000114022653 508291130 /nfs/dbraw/zinc/29/11/30/508291130.db2.gz VAYZSDQFJONYQX-OTWHNJEPSA-N 2 0 350.551 2.767 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000077774166 508371172 /nfs/dbraw/zinc/37/11/72/508371172.db2.gz ZDIIAHBMFDPJOC-SFHVURJKSA-N 2 0 360.546 2.723 10 0 FFAERP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000106125044 508395965 /nfs/dbraw/zinc/39/59/65/508395965.db2.gz FLDLQAXOOJMAAH-QZTJIDSGSA-N 2 0 361.530 2.655 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000106126853 508396117 /nfs/dbraw/zinc/39/61/17/508396117.db2.gz ZNTBTUAPDFHYEE-CQSZACIVSA-N 2 0 355.320 2.974 10 0 FFAERP COc1cccc([C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000106427461 508400692 /nfs/dbraw/zinc/40/06/92/508400692.db2.gz UFLUCJJCGBGKCI-SFTDATJTSA-N 2 0 369.509 2.587 10 0 FFAERP CC(C)OC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000135051337 508583250 /nfs/dbraw/zinc/58/32/50/508583250.db2.gz ADTFMLLMGNPJAD-KRWDZBQOSA-N 2 0 362.514 2.776 10 0 FFAERP CCC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000119477069 508803770 /nfs/dbraw/zinc/80/37/70/508803770.db2.gz MMTAXEMQIIIJNE-RTBURBONSA-N 2 0 374.529 2.522 10 0 FFAERP Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000124480283 508838550 /nfs/dbraw/zinc/83/85/50/508838550.db2.gz VQXMEWRSDZYIBB-FUHWJXTLSA-N 2 0 362.518 2.786 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248731357 509457650 /nfs/dbraw/zinc/45/76/50/509457650.db2.gz JMKYEDKUYVJSKS-NJYVYQBISA-N 2 0 370.541 2.777 10 0 FFAERP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000236685010 509479339 /nfs/dbraw/zinc/47/93/39/509479339.db2.gz PWBXPZLCMWUUKK-CALCHBBNSA-N 2 0 361.530 2.677 10 0 FFAERP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1C[NH+]1CCCCC1 ZINC000183218273 509662666 /nfs/dbraw/zinc/66/26/66/509662666.db2.gz UODCHCSPJBGFLZ-QFBILLFUSA-N 2 0 369.513 2.938 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000249812046 509768682 /nfs/dbraw/zinc/76/86/82/509768682.db2.gz ZSNCYGRJRRLOGF-AZUAARDMSA-N 2 0 374.529 2.616 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000170835388 509802032 /nfs/dbraw/zinc/80/20/32/509802032.db2.gz NGUQNUKXGYUPCX-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP CCCCc1nnc(NC(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)s1 ZINC000245563259 510009342 /nfs/dbraw/zinc/00/93/42/510009342.db2.gz CVJQCWMUUGZVFV-KBPBESRZSA-N 2 0 362.503 2.599 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000245682465 510081928 /nfs/dbraw/zinc/08/19/28/510081928.db2.gz GPPVXOFKRWZEMG-UXHICEINSA-N 2 0 358.530 2.907 10 0 FFAERP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000245806933 510150887 /nfs/dbraw/zinc/15/08/87/510150887.db2.gz YRMIKEOIHRDKFU-QAPCUYQASA-N 2 0 357.454 2.796 10 0 FFAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000245996793 510243847 /nfs/dbraw/zinc/24/38/47/510243847.db2.gz CBIPPSWZBTYTTD-FXAWDEMLSA-N 2 0 358.530 2.764 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3F)C2)[nH+]1 ZINC000171649816 510280894 /nfs/dbraw/zinc/28/08/94/510280894.db2.gz CNHHDQPNSUNIBM-DLBZAZTESA-N 2 0 370.472 2.968 10 0 FFAERP O[C@@H](CN1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Br)c1 ZINC000246207692 510364171 /nfs/dbraw/zinc/36/41/71/510364171.db2.gz ORNFRFVSKDUYCU-YOEHRIQHSA-N 2 0 353.304 2.900 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246248064 510389076 /nfs/dbraw/zinc/38/90/76/510389076.db2.gz DYQNWLLISACUCK-YQVWRLOYSA-N 2 0 350.551 2.621 10 0 FFAERP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900364 510437308 /nfs/dbraw/zinc/43/73/08/510437308.db2.gz GXVVZOZPSDRSRQ-OAQYLSRUSA-N 2 0 370.541 2.908 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC)c1 ZINC000171899544 510437528 /nfs/dbraw/zinc/43/75/28/510437528.db2.gz NCZDSAWYZNVLOC-UYAOXDASSA-N 2 0 374.529 2.568 10 0 FFAERP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000171900362 510438354 /nfs/dbraw/zinc/43/83/54/510438354.db2.gz IUFMBVOFNZUXLU-NRFANRHFSA-N 2 0 370.541 2.908 10 0 FFAERP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194652454 510465697 /nfs/dbraw/zinc/46/56/97/510465697.db2.gz HDEJMUGQEQPHGX-KRWDZBQOSA-N 2 0 362.543 2.765 10 0 FFAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194652440 510466160 /nfs/dbraw/zinc/46/61/60/510466160.db2.gz HDEJMUGQEQPHGX-QGZVFWFLSA-N 2 0 362.543 2.765 10 0 FFAERP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246541081 510545799 /nfs/dbraw/zinc/54/57/99/510545799.db2.gz XNPMAWPCNABQKX-DLBZAZTESA-N 2 0 362.543 2.765 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246762625 510660319 /nfs/dbraw/zinc/66/03/19/510660319.db2.gz AORPKJNQHMGBHP-XLIONFOSSA-N 2 0 358.530 2.907 10 0 FFAERP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cc2)CC1 ZINC000246791006 510675271 /nfs/dbraw/zinc/67/52/71/510675271.db2.gz BMFLMCGFAXZAPV-NQIIRXRSSA-N 2 0 370.541 2.526 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000191504254 510692881 /nfs/dbraw/zinc/69/28/81/510692881.db2.gz OPSYSKAGMVXPKB-FQEVSTJZSA-N 2 0 359.562 2.540 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000247513158 510863792 /nfs/dbraw/zinc/86/37/92/510863792.db2.gz YNTGHZDDMKLBCZ-MISYRCLQSA-N 2 0 358.530 2.851 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000247521230 510864324 /nfs/dbraw/zinc/86/43/24/510864324.db2.gz ZDGJOTBWZKITKC-FGTMMUONSA-N 2 0 362.518 2.835 10 0 FFAERP Cc1[nH+]c2ccccc2c(N2CCC(c3nnc4n3CCNC4)CC2)c1C ZINC000333605598 511298806 /nfs/dbraw/zinc/29/88/06/511298806.db2.gz XEGNEAZTJXJEMW-UHFFFAOYSA-N 2 0 362.481 2.930 10 0 FFAERP COc1cc(C)nc(C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 ZINC000284805314 511877524 /nfs/dbraw/zinc/87/75/24/511877524.db2.gz KERSRBSBENTUTE-OXJNMPFZSA-N 2 0 357.502 2.647 10 0 FFAERP Cc1ccc(OCC[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc1 ZINC000014958639 220136764 /nfs/dbraw/zinc/13/67/64/220136764.db2.gz BTKMINHZQRPGIO-HXUWFJFHSA-N 2 0 372.509 2.807 10 0 FFAERP C[C@@H]1CCN(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)[C@@H](C[NH3+])C1 ZINC000333096484 258249743 /nfs/dbraw/zinc/24/97/43/258249743.db2.gz DCHRQEYHEJWRRB-IIAWOOMASA-N 2 0 365.547 2.966 10 0 FFAERP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc[nH+]c4ccc(C)cc43)CC[C@H]21 ZINC000077375613 132182729 /nfs/dbraw/zinc/18/27/29/132182729.db2.gz OZLHPLIHUVJEQA-QFBILLFUSA-N 2 0 352.482 2.580 10 0 FFAERP CC[NH+]1CCN(c2nc3cc(OC)ccc3cc2C[NH2+][C@@H](C)COC)CC1 ZINC000011976709 263369460 /nfs/dbraw/zinc/36/94/60/263369460.db2.gz GTZRBOTZICNGGX-INIZCTEOSA-N 2 0 372.513 2.510 10 0 FFAERP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000105118890 508361805 /nfs/dbraw/zinc/36/18/05/508361805.db2.gz LYTWYWHQQAOVFA-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000157815807 508616305 /nfs/dbraw/zinc/61/63/05/508616305.db2.gz SFGRONJKLWLNRT-GHTZIAJQSA-N 2 0 372.557 2.987 10 0 FFAERP C(CCN1CCC([NH+]2CCCC2)CC1)CN1CCC([NH+]2CCCC2)CC1 ZINC000157905104 508630611 /nfs/dbraw/zinc/63/06/11/508630611.db2.gz LSSUMMTTWBJWNF-UHFFFAOYSA-N 2 0 362.606 2.887 10 0 FFAERP CCn1nc(C)c([C@H](C)[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000159351725 508828914 /nfs/dbraw/zinc/82/89/14/508828914.db2.gz OVWGSQRZECZJPP-SFHVURJKSA-N 2 0 369.557 2.988 10 0 FFAERP CCC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[NH+](C)C ZINC000162139254 509173860 /nfs/dbraw/zinc/17/38/60/509173860.db2.gz ZAOYAJATPKJWHN-IEBWSBKVSA-N 2 0 361.530 2.733 10 0 FFAERP CCC[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)[NH+](C)C ZINC000162139138 509173933 /nfs/dbraw/zinc/17/39/33/509173933.db2.gz ZAOYAJATPKJWHN-MJGOQNOKSA-N 2 0 361.530 2.733 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182468254 509253952 /nfs/dbraw/zinc/25/39/52/509253952.db2.gz YCWDXTPAIUXZRZ-KZNAEPCWSA-N 2 0 352.567 2.915 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000163814049 509427261 /nfs/dbraw/zinc/42/72/61/509427261.db2.gz CSRBONPNFQVUNF-LJQANCHMSA-N 2 0 352.567 2.870 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176317095 509441829 /nfs/dbraw/zinc/44/18/29/509441829.db2.gz MLXSMNYQMSBLHV-HXUWFJFHSA-N 2 0 358.530 2.777 10 0 FFAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OCC)C23CCOCC3)[C@H](C)C1 ZINC000248911482 509541673 /nfs/dbraw/zinc/54/16/73/509541673.db2.gz CDGAXSKTSGJGCV-IYWMVGAKSA-N 2 0 368.562 2.687 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000170829447 509797773 /nfs/dbraw/zinc/79/77/73/509797773.db2.gz BFMZBRCAKLFASY-QZTJIDSGSA-N 2 0 364.921 2.822 10 0 FFAERP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000183581204 509871876 /nfs/dbraw/zinc/87/18/76/509871876.db2.gz SEQLDKACHZZNJJ-NSHDSACASA-N 2 0 365.465 2.995 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000177333000 510000807 /nfs/dbraw/zinc/00/08/07/510000807.db2.gz WVECYSIJXJCAPB-XLIONFOSSA-N 2 0 358.530 2.559 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000177356855 510010697 /nfs/dbraw/zinc/01/06/97/510010697.db2.gz UXRIMSJSJPRUAS-HXUWFJFHSA-N 2 0 358.530 2.561 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000245908621 510202318 /nfs/dbraw/zinc/20/23/18/510202318.db2.gz CWQVYBSRTPAMFA-YLJYHZDGSA-N 2 0 373.545 2.733 10 0 FFAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190665508 510271170 /nfs/dbraw/zinc/27/11/70/510271170.db2.gz ZIMWHXAVUNCNOS-FQEVSTJZSA-N 2 0 366.509 2.737 10 0 FFAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000194449223 510369739 /nfs/dbraw/zinc/36/97/39/510369739.db2.gz PVZQRFXZKJTJGN-HXUWFJFHSA-N 2 0 370.541 2.778 10 0 FFAERP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000171905442 510443004 /nfs/dbraw/zinc/44/30/04/510443004.db2.gz YSLAPRCFHDOVHB-WOJBJXKFSA-N 2 0 356.514 2.622 10 0 FFAERP CC1CC[NH+](C2CCC(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)CC2)CC1 ZINC000246564427 510558827 /nfs/dbraw/zinc/55/88/27/510558827.db2.gz LZXAPCRKZWPDEY-OAHAVBBTSA-N 2 0 362.562 2.908 10 0 FFAERP O=C1O[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1c1ccccc1 ZINC000246857617 510713921 /nfs/dbraw/zinc/71/39/21/510713921.db2.gz PLNBYLXMHRNZQT-PWIZWCRZSA-N 2 0 355.482 2.961 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000247521242 510864220 /nfs/dbraw/zinc/86/42/20/510864220.db2.gz ZDGJOTBWZKITKC-KZNAEPCWSA-N 2 0 362.518 2.835 10 0 FFAERP c1cc2nc(c1)NC[C@@H]1CCCC[C@H]1[NH2+]CCN[C@@H]1CCCC[C@H]1[NH2+]C2 ZINC000257354493 534479583 /nfs/dbraw/zinc/47/95/83/534479583.db2.gz YDHHARUINROTQR-MTFMMBMASA-N 2 0 357.546 2.646 10 0 FFAERP COCC[N@@H+]1C[C@@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169789545 728983073 /nfs/dbraw/zinc/98/30/73/728983073.db2.gz RMTWCBMGVOOGDL-INIZCTEOSA-N 2 0 370.896 2.632 10 0 FFAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000043167003 249399787 /nfs/dbraw/zinc/39/97/87/249399787.db2.gz ORDDGLBNRMCTPC-GOSISDBHSA-N 2 0 360.502 2.686 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N2CCC([NH+]3CCCC3)CC2)[NH+]2CCCC2)o1 ZINC000102038471 250099890 /nfs/dbraw/zinc/09/98/90/250099890.db2.gz AKESRBTXJGQZFX-IBGZPJMESA-N 2 0 374.529 2.995 10 0 FFAERP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000106126828 250241858 /nfs/dbraw/zinc/24/18/58/250241858.db2.gz PBESNFHTFDMTCT-SJORKVTESA-N 2 0 361.530 2.601 10 0 FFAERP CN(c1ccccc1C[NH+]1CCC(n2cncn2)CC1)C1CC[NH+](C)CC1 ZINC000092647955 508089658 /nfs/dbraw/zinc/08/96/58/508089658.db2.gz VZWBGXUDAXOXKX-UHFFFAOYSA-N 2 0 368.529 2.646 10 0 FFAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112750988 508220354 /nfs/dbraw/zinc/22/03/54/508220354.db2.gz HPAMQSKOHSEFFR-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000113580625 508273461 /nfs/dbraw/zinc/27/34/61/508273461.db2.gz DTKOMFTYPGGPHP-ZACQAIPSSA-N 2 0 362.543 2.763 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113584429 508274094 /nfs/dbraw/zinc/27/40/94/508274094.db2.gz LNWVWRXZELBWIQ-FXAWDEMLSA-N 2 0 358.530 2.907 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000106459528 508401172 /nfs/dbraw/zinc/40/11/72/508401172.db2.gz CBXUNNIDVBQHEU-WOJBJXKFSA-N 2 0 357.473 2.718 10 0 FFAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccco1 ZINC000119059845 508716327 /nfs/dbraw/zinc/71/63/27/508716327.db2.gz HTHYGWCRKINHSY-GVDBMIGSSA-N 2 0 350.507 2.690 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119458804 508800529 /nfs/dbraw/zinc/80/05/29/508800529.db2.gz AIYXVHPNWCBTRN-HMXCVIKNSA-N 2 0 355.526 2.635 10 0 FFAERP C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)[NH+]1CCCCCC1 ZINC000154900811 508879341 /nfs/dbraw/zinc/87/93/41/508879341.db2.gz BJLQPTCYHBYUJT-MRXNPFEDSA-N 2 0 360.502 2.758 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC(F)F)cc2)CC1 ZINC000121094346 509127060 /nfs/dbraw/zinc/12/70/60/509127060.db2.gz CEYULIWFVPHHOK-HNNXBMFYSA-N 2 0 356.457 2.855 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000178929633 509186796 /nfs/dbraw/zinc/18/67/96/509186796.db2.gz BVXSIHJYWXZXRG-CVEARBPZSA-N 2 0 352.548 2.770 10 0 FFAERP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247976737 509207679 /nfs/dbraw/zinc/20/76/79/509207679.db2.gz KZZVMDAKOFIRSR-NZSAHSFTSA-N 2 0 352.906 2.634 10 0 FFAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000192003360 509289425 /nfs/dbraw/zinc/28/94/25/509289425.db2.gz CXRVDPALEMPHPN-SFHVURJKSA-N 2 0 356.514 2.705 10 0 FFAERP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248547414 509358536 /nfs/dbraw/zinc/35/85/36/509358536.db2.gz GECVTMDDRVBBRP-XUVXKRRUSA-N 2 0 364.555 2.702 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245414811 509914517 /nfs/dbraw/zinc/91/45/17/509914517.db2.gz FAEFAZZDASVOCI-GBESFXJTSA-N 2 0 352.567 2.870 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000177358804 510012068 /nfs/dbraw/zinc/01/20/68/510012068.db2.gz KFMTVVSDIRYNPW-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2COC4(CCOCC4)O2)C3)cc1 ZINC000245733745 510112758 /nfs/dbraw/zinc/11/27/58/510112758.db2.gz QQDBLNBPEFXKOR-WOZUAGRISA-N 2 0 372.509 2.694 10 0 FFAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245940579 510219640 /nfs/dbraw/zinc/21/96/40/510219640.db2.gz UTLCQZARBUXUKS-ICSRJNTNSA-N 2 0 358.530 2.634 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccc(F)cc3)C2)[nH+]1 ZINC000171650972 510279671 /nfs/dbraw/zinc/27/96/71/510279671.db2.gz IFOCPQVYFQZKGG-WMZOPIPTSA-N 2 0 370.472 2.968 10 0 FFAERP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246574243 510564505 /nfs/dbraw/zinc/56/45/05/510564505.db2.gz LOJHXFWWMMVDMD-OXJNMPFZSA-N 2 0 367.493 2.621 10 0 FFAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000246704511 510624674 /nfs/dbraw/zinc/62/46/74/510624674.db2.gz ZODUNVCDOUYEMY-LCLWPZTBSA-N 2 0 356.514 2.528 10 0 FFAERP C(CC[N@@H+]1CCC[C@H]1CN1CCCC1)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000246857809 510713312 /nfs/dbraw/zinc/71/33/12/510713312.db2.gz DIVOSTAJOQYBQK-VXKWHMMOSA-N 2 0 362.606 2.887 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000247073196 510826469 /nfs/dbraw/zinc/82/64/69/510826469.db2.gz VAYZSDQFJONYQX-QRVBRYPASA-N 2 0 350.551 2.767 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000247594686 510866865 /nfs/dbraw/zinc/86/68/65/510866865.db2.gz RZZHUKDAYGDCAH-UDEWTMQYSA-N 2 0 370.541 2.966 10 0 FFAERP C[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000333349665 511212511 /nfs/dbraw/zinc/21/25/11/511212511.db2.gz RFGOTCBXEBDIMD-ZDUSSCGKSA-N 2 0 366.893 2.639 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000398057377 512953151 /nfs/dbraw/zinc/95/31/51/512953151.db2.gz LQCRESJJQSYERP-DUXKGJEZSA-N 2 0 351.494 2.583 10 0 FFAERP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c1O ZINC000187050074 729372005 /nfs/dbraw/zinc/37/20/05/729372005.db2.gz OOKLHIRCKMHZMJ-UKRRQHHQSA-N 2 0 371.319 2.961 10 0 FFAERP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000333928752 729812516 /nfs/dbraw/zinc/81/25/16/729812516.db2.gz XRSPHZZTIARYFC-JKSUJKDBSA-N 2 0 350.532 2.654 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000102038254 508265601 /nfs/dbraw/zinc/26/56/01/508265601.db2.gz HJDFLGAENVCKSQ-RDJZCZTQSA-N 2 0 350.507 2.754 10 0 FFAERP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000103305141 508306025 /nfs/dbraw/zinc/30/60/25/508306025.db2.gz SHJMVYOZRGVNRM-RTBURBONSA-N 2 0 352.567 2.870 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000106427539 508400656 /nfs/dbraw/zinc/40/06/56/508400656.db2.gz YKBYPDRYAIGPRL-OAQYLSRUSA-N 2 0 353.510 2.798 10 0 FFAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000116250813 508492213 /nfs/dbraw/zinc/49/22/13/508492213.db2.gz FEBDPOOWJANOND-HLAWJBBLSA-N 2 0 372.557 2.919 10 0 FFAERP C[C@H]1CCC[N@@H+]1CCCOc1ccc(N2C[C@@]3(CC[NH2+]C3)CC2=O)cc1 ZINC000117074346 508578131 /nfs/dbraw/zinc/57/81/31/508578131.db2.gz UMBIUKXYVHZHEH-UWJYYQICSA-N 2 0 357.498 2.656 10 0 FFAERP CCC[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[NH+](C)C ZINC000119126145 508731639 /nfs/dbraw/zinc/73/16/39/508731639.db2.gz OMWVQMKRHUAXFN-FQEVSTJZSA-N 2 0 358.530 2.887 10 0 FFAERP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000248384026 509282238 /nfs/dbraw/zinc/28/22/38/509282238.db2.gz CGLHUBHQRRBWPA-UWVAXJGDSA-N 2 0 352.482 2.511 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000176455308 509520606 /nfs/dbraw/zinc/52/06/06/509520606.db2.gz LNMNQQUKZDJOKN-RXVVDRJESA-N 2 0 372.557 2.721 10 0 FFAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000248998356 509567586 /nfs/dbraw/zinc/56/75/86/509567586.db2.gz MNQJVJYFDUMTMN-PMACEKPBSA-N 2 0 358.530 2.633 10 0 FFAERP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)C12CCOCC2 ZINC000186254123 509605400 /nfs/dbraw/zinc/60/54/00/509605400.db2.gz BOXBUVNPCBNPNN-PMACEKPBSA-N 2 0 362.514 2.691 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000170829445 509797686 /nfs/dbraw/zinc/79/76/86/509797686.db2.gz BFMZBRCAKLFASY-ROUUACIJSA-N 2 0 364.921 2.822 10 0 FFAERP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000180231994 509824459 /nfs/dbraw/zinc/82/44/59/509824459.db2.gz AECYWSSHJSSMIS-CTNGQTDRSA-N 2 0 359.558 2.797 10 0 FFAERP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000193474544 509929967 /nfs/dbraw/zinc/92/99/67/509929967.db2.gz AMYGYFDGJXILCV-HNNXBMFYSA-N 2 0 350.894 2.871 10 0 FFAERP CCCCc1nnc(NC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)s1 ZINC000245563261 510008214 /nfs/dbraw/zinc/00/82/14/510008214.db2.gz CVJQCWMUUGZVFV-KGLIPLIRSA-N 2 0 362.503 2.599 10 0 FFAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000245586357 510022283 /nfs/dbraw/zinc/02/22/83/510022283.db2.gz ALUHHGZUUDVIHI-OALUTQOASA-N 2 0 350.551 2.767 10 0 FFAERP Cn1cc([C@@H]2CCC[NH+]2C/C=C/C[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000245854109 510169039 /nfs/dbraw/zinc/16/90/39/510169039.db2.gz NQJYOOBEGNQKGT-LOKQZNEXSA-N 2 0 354.502 2.684 10 0 FFAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000245893490 510191378 /nfs/dbraw/zinc/19/13/78/510191378.db2.gz CPJKKMNPQKPROM-SFTDATJTSA-N 2 0 370.541 2.908 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000194131430 510229601 /nfs/dbraw/zinc/22/96/01/510229601.db2.gz KMMGHDYMNLVTDU-MJGOQNOKSA-N 2 0 374.529 2.616 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000246401230 510467796 /nfs/dbraw/zinc/46/77/96/510467796.db2.gz KCKNUDNKPGUIEJ-OTWHNJEPSA-N 2 0 350.551 2.623 10 0 FFAERP Cc1nccnc1[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000187976688 510529535 /nfs/dbraw/zinc/52/95/35/510529535.db2.gz UTNMQAAGJDOGGZ-YLJYHZDGSA-N 2 0 354.498 2.881 10 0 FFAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246636434 510595453 /nfs/dbraw/zinc/59/54/53/510595453.db2.gz XSTBNCWISXKDIM-IZZBFERCSA-N 2 0 370.541 2.633 10 0 FFAERP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582430790 518750204 /nfs/dbraw/zinc/75/02/04/518750204.db2.gz HYTFTUPVOYBFGS-ACRUOGEOSA-N 2 0 355.526 2.889 10 0 FFAERP CC[NH+]1CCN(c2nc3cc(OC)ccc3cc2C[NH2+][C@H](C)COC)CC1 ZINC000011976714 263369316 /nfs/dbraw/zinc/36/93/16/263369316.db2.gz GTZRBOTZICNGGX-MRXNPFEDSA-N 2 0 372.513 2.510 10 0 FFAERP CCOc1c(C[NH2+]CC2CC[NH2+]CC2)cc(Br)cc1OC ZINC000010435479 506742934 /nfs/dbraw/zinc/74/29/34/506742934.db2.gz XQOPVBYMBQAIDZ-UHFFFAOYSA-N 2 0 357.292 2.946 10 0 FFAERP C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000089732769 507859652 /nfs/dbraw/zinc/85/96/52/507859652.db2.gz NFGSCXMZBYQMKB-PKOBYXMFSA-N 2 0 369.513 2.737 10 0 FFAERP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000079653909 507987693 /nfs/dbraw/zinc/98/76/93/507987693.db2.gz JEZUHHAGNLREAF-IBGZPJMESA-N 2 0 362.493 2.698 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113588872 508274565 /nfs/dbraw/zinc/27/45/65/508274565.db2.gz LMZYQJWYUGJYMO-GHTZIAJQSA-N 2 0 370.541 2.838 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccc(F)cc3)C2)[nH+]1 ZINC000114717231 508341069 /nfs/dbraw/zinc/34/10/69/508341069.db2.gz YIUHJMLLWXDMOW-SFHVURJKSA-N 2 0 370.472 2.922 10 0 FFAERP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)C1 ZINC000104699330 508341591 /nfs/dbraw/zinc/34/15/91/508341591.db2.gz PHBKECVPZPJXOH-IRLDBZIGSA-N 2 0 373.541 2.590 10 0 FFAERP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000106126212 508396003 /nfs/dbraw/zinc/39/60/03/508396003.db2.gz XGEPLQQQWBNDFU-QGZVFWFLSA-N 2 0 361.530 2.773 10 0 FFAERP COc1cccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+](C)C)c1 ZINC000106427464 508400669 /nfs/dbraw/zinc/40/06/69/508400669.db2.gz UFLUCJJCGBGKCI-LEWJYISDSA-N 2 0 369.509 2.587 10 0 FFAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000156622392 508451833 /nfs/dbraw/zinc/45/18/33/508451833.db2.gz VFZJBNBJMFDRDO-HXUWFJFHSA-N 2 0 374.573 2.923 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000119181118 508742211 /nfs/dbraw/zinc/74/22/11/508742211.db2.gz WZBXNXKXMRYTGV-JQHSSLGASA-N 2 0 362.518 2.753 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000132500298 509038489 /nfs/dbraw/zinc/03/84/89/509038489.db2.gz NSDISUSWQBYATN-APWZRJJASA-N 2 0 350.551 2.811 10 0 FFAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cnn(C)c1 ZINC000151900318 509106664 /nfs/dbraw/zinc/10/66/64/509106664.db2.gz LCEMVKPETPMZPP-LEWJYISDSA-N 2 0 356.514 2.906 10 0 FFAERP CCC[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000161539705 509127136 /nfs/dbraw/zinc/12/71/36/509127136.db2.gz JQPRBARNRNXPBB-OAQYLSRUSA-N 2 0 374.573 2.744 10 0 FFAERP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000248410486 509303086 /nfs/dbraw/zinc/30/30/86/509303086.db2.gz XXUINEPLQRFTJG-PCCBWWKXSA-N 2 0 358.526 2.666 10 0 FFAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cc1C[NH+]1CCCCC1 ZINC000183196894 509652076 /nfs/dbraw/zinc/65/20/76/509652076.db2.gz BDPRNNPXORROSS-FXAWDEMLSA-N 2 0 361.530 2.662 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000173682303 509719324 /nfs/dbraw/zinc/71/93/24/509719324.db2.gz IKJBQKJHNTWFPZ-INIZCTEOSA-N 2 0 360.477 2.536 10 0 FFAERP COc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193336954 509871320 /nfs/dbraw/zinc/87/13/20/509871320.db2.gz XXCWWFHFVDURFX-NRFANRHFSA-N 2 0 369.509 2.968 10 0 FFAERP CN(c1ccccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1)C1CC[NH+](C)CC1 ZINC000245715264 510104354 /nfs/dbraw/zinc/10/43/54/510104354.db2.gz GUOIUOKOXLXNHV-HXUWFJFHSA-N 2 0 368.529 2.646 10 0 FFAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)C1 ZINC000193901507 510120794 /nfs/dbraw/zinc/12/07/94/510120794.db2.gz HQAGIORTZPQTMT-IFMALSPDSA-N 2 0 359.558 2.907 10 0 FFAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181061991 510263173 /nfs/dbraw/zinc/26/31/73/510263173.db2.gz UTLCQZARBUXUKS-AZUAARDMSA-N 2 0 358.530 2.634 10 0 FFAERP C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCCCCC1 ZINC000190654977 510263418 /nfs/dbraw/zinc/26/34/18/510263418.db2.gz ASCNTSKHVGBABH-QUCCMNQESA-N 2 0 358.530 2.626 10 0 FFAERP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171892211 510433456 /nfs/dbraw/zinc/43/34/56/510433456.db2.gz CPUVJYIEOSNQQX-LJQANCHMSA-N 2 0 374.554 2.590 10 0 FFAERP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899258 510438195 /nfs/dbraw/zinc/43/81/95/510438195.db2.gz NEISUEOPLOIMRE-FQEVSTJZSA-N 2 0 356.514 2.662 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2)CC1 ZINC000184906067 510575116 /nfs/dbraw/zinc/57/51/16/510575116.db2.gz ZRHKGVHBMHLGND-HXUWFJFHSA-N 2 0 371.529 2.531 10 0 FFAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1F ZINC000246784372 510672168 /nfs/dbraw/zinc/67/21/68/510672168.db2.gz INVJCGZVNZJPNY-VQIMIIECSA-N 2 0 362.493 2.513 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000247220732 510852774 /nfs/dbraw/zinc/85/27/74/510852774.db2.gz MHKGLELHSQOGCR-XLIONFOSSA-N 2 0 370.541 2.701 10 0 FFAERP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247575074 510866329 /nfs/dbraw/zinc/86/63/29/510866329.db2.gz HRXLVSNZAPMNSX-LSDHHAIUSA-N 2 0 367.921 2.692 10 0 FFAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])COc1ccc(Br)cc1 ZINC000011848802 219936174 /nfs/dbraw/zinc/93/61/74/219936174.db2.gz FWKLQVRXQCDAIZ-OAHLLOKOSA-N 2 0 352.276 2.891 10 0 FFAERP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1C ZINC000013733082 220091504 /nfs/dbraw/zinc/09/15/04/220091504.db2.gz PKCJETPZKZYFPU-UHFFFAOYSA-N 2 0 358.482 2.644 10 0 FFAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000131586694 251000452 /nfs/dbraw/zinc/00/04/52/251000452.db2.gz QBWHPQLZCDQHAI-NRFANRHFSA-N 2 0 373.541 2.740 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000068587619 507278856 /nfs/dbraw/zinc/27/88/56/507278856.db2.gz TXOXMBCACTXNPU-SFHVURJKSA-N 2 0 366.937 2.898 10 0 FFAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112750990 508220339 /nfs/dbraw/zinc/22/03/39/508220339.db2.gz HPAMQSKOHSEFFR-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000106427538 508400828 /nfs/dbraw/zinc/40/08/28/508400828.db2.gz YKBYPDRYAIGPRL-NRFANRHFSA-N 2 0 353.510 2.798 10 0 FFAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000116250817 508491811 /nfs/dbraw/zinc/49/18/11/508491811.db2.gz FEBDPOOWJANOND-SESVDKBCSA-N 2 0 372.557 2.919 10 0 FFAERP CC(C)OC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000135051314 508583211 /nfs/dbraw/zinc/58/32/11/508583211.db2.gz ADTFMLLMGNPJAD-QGZVFWFLSA-N 2 0 362.514 2.776 10 0 FFAERP CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000159082280 508790655 /nfs/dbraw/zinc/79/06/55/508790655.db2.gz OKFDOVUFUGXSAJ-CVEARBPZSA-N 2 0 355.548 2.612 10 0 FFAERP CCOc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1OCC ZINC000151341987 509002222 /nfs/dbraw/zinc/00/22/22/509002222.db2.gz XZPTVIOXYBVDJZ-FUHWJXTLSA-N 2 0 350.503 2.981 10 0 FFAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000121117868 509131871 /nfs/dbraw/zinc/13/18/71/509131871.db2.gz KJLRIAHYQHAKSS-HNNXBMFYSA-N 2 0 360.477 2.740 10 0 FFAERP C[NH+](C)C1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000248391494 509288052 /nfs/dbraw/zinc/28/80/52/509288052.db2.gz CIFBHCIYLICWQP-BHDDXSALSA-N 2 0 371.569 2.988 10 0 FFAERP C[N@H+](CCOCC(F)F)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189181500 509452555 /nfs/dbraw/zinc/45/25/55/509452555.db2.gz XSSJFVDAVSBFGO-SFHVURJKSA-N 2 0 356.457 2.646 10 0 FFAERP CCOCc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC ZINC000179515068 509490495 /nfs/dbraw/zinc/49/04/95/509490495.db2.gz FVWVBUWSDHWAOR-KRWDZBQOSA-N 2 0 364.530 2.756 10 0 FFAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000176515654 509556291 /nfs/dbraw/zinc/55/62/91/509556291.db2.gz OREQSNKBYKDAOR-LPHOPBHVSA-N 2 0 350.551 2.669 10 0 FFAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C12CCOCC2 ZINC000186253999 509605141 /nfs/dbraw/zinc/60/51/41/509605141.db2.gz ZFWOBRCLEFCXQS-UXHICEINSA-N 2 0 362.514 2.691 10 0 FFAERP CC(C)OC(=O)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173682634 509718350 /nfs/dbraw/zinc/71/83/50/509718350.db2.gz KYCKONUXCKLLMB-HXUWFJFHSA-N 2 0 362.514 2.706 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000174159484 509976340 /nfs/dbraw/zinc/97/63/40/509976340.db2.gz JTKGGMKEOUNOJQ-QRVBRYPASA-N 2 0 362.493 2.697 10 0 FFAERP CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245764314 510135151 /nfs/dbraw/zinc/13/51/51/510135151.db2.gz WCLNSBTZZJTZKZ-HAGHYFMRSA-N 2 0 365.525 2.941 10 0 FFAERP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)N1CC[NH+](C)CC1 ZINC000194028455 510182540 /nfs/dbraw/zinc/18/25/40/510182540.db2.gz YSELECKUDYCMSC-MXWWQKGMSA-N 2 0 366.347 2.921 10 0 FFAERP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246762641 510660102 /nfs/dbraw/zinc/66/01/02/510660102.db2.gz AORPKJNQHMGBHP-YLJYHZDGSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000246888000 510728941 /nfs/dbraw/zinc/72/89/41/510728941.db2.gz DXKBVENSNPLRPO-QKLQHJQFSA-N 2 0 354.498 2.964 10 0 FFAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000247070521 510825695 /nfs/dbraw/zinc/82/56/95/510825695.db2.gz IVOIINGOTYMWHA-FXAWDEMLSA-N 2 0 358.530 2.810 10 0 FFAERP Cc1ccc([C@H](CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000247492324 510863003 /nfs/dbraw/zinc/86/30/03/510863003.db2.gz WZBXNXKXMRYTGV-NJAFHUGGSA-N 2 0 362.518 2.753 10 0 FFAERP COCC[N@@H+]1C[C@H](CO)C2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169789546 728983307 /nfs/dbraw/zinc/98/33/07/728983307.db2.gz RMTWCBMGVOOGDL-MRXNPFEDSA-N 2 0 370.896 2.632 10 0 FFAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000262174671 729660455 /nfs/dbraw/zinc/66/04/55/729660455.db2.gz VPHVNLDBRZUNNH-XHDPSFHLSA-N 2 0 367.312 2.848 10 0 FFAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000057204782 507206034 /nfs/dbraw/zinc/20/60/34/507206034.db2.gz SDJVCJTZURRTNC-LEWJYISDSA-N 2 0 368.525 2.761 10 0 FFAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](C2CC2)CC1 ZINC000061860640 507644358 /nfs/dbraw/zinc/64/43/58/507644358.db2.gz HWGZJWUWPDTPTM-UHFFFAOYSA-N 2 0 358.530 2.907 10 0 FFAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113588870 508274619 /nfs/dbraw/zinc/27/46/19/508274619.db2.gz LMZYQJWYUGJYMO-RXVVDRJESA-N 2 0 370.541 2.838 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114834511 508352395 /nfs/dbraw/zinc/35/23/95/508352395.db2.gz GSIALTANWUHSAR-YZGWKJHDSA-N 2 0 356.514 2.529 10 0 FFAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105093901 508360596 /nfs/dbraw/zinc/36/05/96/508360596.db2.gz BZOMREVQZNQTKE-HXUWFJFHSA-N 2 0 358.530 2.908 10 0 FFAERP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105161577 508363883 /nfs/dbraw/zinc/36/38/83/508363883.db2.gz NPNCKGYFBHZKQX-FQEVSTJZSA-N 2 0 374.504 2.670 10 0 FFAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000106427434 508400639 /nfs/dbraw/zinc/40/06/39/508400639.db2.gz YRHRJWNCBSAYHV-UXHICEINSA-N 2 0 357.473 2.718 10 0 FFAERP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106460082 508401098 /nfs/dbraw/zinc/40/10/98/508401098.db2.gz QHXAGJCEGBJNEJ-NRFANRHFSA-N 2 0 353.510 2.927 10 0 FFAERP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)cc1 ZINC000121802838 508421991 /nfs/dbraw/zinc/42/19/91/508421991.db2.gz MKWNTEUHNVJNQO-INIZCTEOSA-N 2 0 371.481 2.815 10 0 FFAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000133785034 508449165 /nfs/dbraw/zinc/44/91/65/508449165.db2.gz RCDXBJGQZIBABZ-IRXDYDNUSA-N 2 0 361.534 2.637 10 0 FFAERP CC(=O)Oc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000125685193 509016880 /nfs/dbraw/zinc/01/68/80/509016880.db2.gz WROOVTFVAVZHFM-IRXDYDNUSA-N 2 0 360.498 2.933 10 0 FFAERP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)CC2)nc1 ZINC000178992038 509215529 /nfs/dbraw/zinc/21/55/29/509215529.db2.gz QJXJDJGGLLRQLR-LJQANCHMSA-N 2 0 358.530 2.843 10 0 FFAERP Cc1cc(=O)oc2cc(OCC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc12 ZINC000248215265 509261102 /nfs/dbraw/zinc/26/11/02/509261102.db2.gz ZNIBDQKECXVIOA-QFBILLFUSA-N 2 0 356.466 2.896 10 0 FFAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000192003348 509289448 /nfs/dbraw/zinc/28/94/48/509289448.db2.gz CXRVDPALEMPHPN-GOSISDBHSA-N 2 0 356.514 2.705 10 0 FFAERP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC(F)(F)F ZINC000248392829 509289651 /nfs/dbraw/zinc/28/96/51/509289651.db2.gz DIAQSYONQYQFGS-YESZJQIVSA-N 2 0 369.431 2.555 10 0 FFAERP C[C@H]([NH2+][C@@H](C)c1ccncc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000182873932 509468596 /nfs/dbraw/zinc/46/85/96/509468596.db2.gz ZWDMDNMIRFFJBH-ROUUACIJSA-N 2 0 366.509 2.902 10 0 FFAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000249812053 509768616 /nfs/dbraw/zinc/76/86/16/509768616.db2.gz ZSNCYGRJRRLOGF-UYAOXDASSA-N 2 0 374.529 2.616 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000176980853 509798447 /nfs/dbraw/zinc/79/84/47/509798447.db2.gz PLELBWXBEZLZIB-OAQYLSRUSA-N 2 0 372.557 2.773 10 0 FFAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000245433885 509928554 /nfs/dbraw/zinc/92/85/54/509928554.db2.gz QNOVQBSEEWXPIO-QUCCMNQESA-N 2 0 358.530 2.777 10 0 FFAERP COc1ccc2nc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)sc2c1 ZINC000186975140 509982640 /nfs/dbraw/zinc/98/26/40/509982640.db2.gz JTMRTVSVCQCFJO-AWEZNQCLSA-N 2 0 363.527 2.830 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000174234856 510015599 /nfs/dbraw/zinc/01/55/99/510015599.db2.gz SATAVXUYPWQQDY-BQFCYCMXSA-N 2 0 364.559 2.915 10 0 FFAERP CN(c1ccccc1C[NH2+][C@@H]1Cc2ccccc2[C@@H]1O)C1CC[NH+](C)CC1 ZINC000177583686 510144740 /nfs/dbraw/zinc/14/47/40/510144740.db2.gz AXMIKMXZHSKDKF-GGAORHGYSA-N 2 0 365.521 2.965 10 0 FFAERP CCc1nn(C)c(Cl)c1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190482003 510156389 /nfs/dbraw/zinc/15/63/89/510156389.db2.gz DJMDMRXCWLRZEL-INIZCTEOSA-N 2 0 361.921 2.985 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000190503659 510169869 /nfs/dbraw/zinc/16/98/69/510169869.db2.gz JQMWYUDSWWEHGY-IBGZPJMESA-N 2 0 367.578 2.990 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCCc3ccccc3C)C2)[nH+]1 ZINC000171651542 510282878 /nfs/dbraw/zinc/28/28/78/510282878.db2.gz WGTJJBZAKPFYBZ-IBGZPJMESA-N 2 0 366.509 2.791 10 0 FFAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3)C2)[nH+]1 ZINC000246146365 510318812 /nfs/dbraw/zinc/31/88/12/510318812.db2.gz OUCRTNKREQZVFG-MJGOQNOKSA-N 2 0 352.482 2.829 10 0 FFAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175435743 510646574 /nfs/dbraw/zinc/64/65/74/510646574.db2.gz AMWMWYHSXROIIQ-RLLQIKCJSA-N 2 0 358.530 2.823 10 0 FFAERP COc1cccc(CN(C)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246945715 510761417 /nfs/dbraw/zinc/76/14/17/510761417.db2.gz UKBIGEMOLMVDAH-RXVVDRJESA-N 2 0 371.525 2.602 10 0 FFAERP CCOc1cc2[nH+]ccc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2cc1OCC ZINC000153170438 251110963 /nfs/dbraw/zinc/11/09/63/251110963.db2.gz NBEDTLZRUKXEDU-YLJYHZDGSA-N 2 0 357.454 2.551 10 0 FFAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000076075170 508156195 /nfs/dbraw/zinc/15/61/95/508156195.db2.gz UXQONDZYBCPELL-RTWAWAEBSA-N 2 0 373.541 2.564 10 0 FFAERP C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccccc1 ZINC000113625698 508277379 /nfs/dbraw/zinc/27/73/79/508277379.db2.gz IIXQXPXCFQYSGY-JENIJYKNSA-N 2 0 358.530 2.994 10 0 FFAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000152414756 508441375 /nfs/dbraw/zinc/44/13/75/508441375.db2.gz SCTDNUSCSZASKV-QRVBRYPASA-N 2 0 350.551 2.764 10 0 FFAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cc2)CC1 ZINC000119409204 508790364 /nfs/dbraw/zinc/79/03/64/508790364.db2.gz AIQSZWKGUAVSCO-OAQYLSRUSA-N 2 0 372.557 2.679 10 0 FFAERP CCC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000119476946 508803994 /nfs/dbraw/zinc/80/39/94/508803994.db2.gz MMTAXEMQIIIJNE-MOPGFXCFSA-N 2 0 374.529 2.522 10 0 FFAERP C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000155895585 509088790 /nfs/dbraw/zinc/08/87/90/509088790.db2.gz UPZLRDNMMVACEH-QGZVFWFLSA-N 2 0 369.513 2.737 10 0 FFAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OC(F)F ZINC000121121259 509132638 /nfs/dbraw/zinc/13/26/38/509132638.db2.gz POZRKDASVLJGBJ-AWEZNQCLSA-N 2 0 372.456 2.821 10 0 FFAERP O[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+]1CCCCC1 ZINC000248399104 509294749 /nfs/dbraw/zinc/29/47/49/509294749.db2.gz JPLNTVCZHCQTBN-WBADGQHESA-N 2 0 371.569 2.724 10 0 FFAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188958276 509341742 /nfs/dbraw/zinc/34/17/42/509341742.db2.gz DEGHVWKJQBGMKC-MRXNPFEDSA-N 2 0 360.477 2.536 10 0 FFAERP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c2)CC1 ZINC000248592079 509380082 /nfs/dbraw/zinc/38/00/82/509380082.db2.gz ZFLOEIKNEJKQGB-XLIONFOSSA-N 2 0 371.529 2.529 10 0 FFAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccn1C ZINC000182862274 509463529 /nfs/dbraw/zinc/46/35/29/509463529.db2.gz OBJXLEYGIGIIDB-VQTJNVASSA-N 2 0 356.514 2.906 10 0 FFAERP C[C@@H]([NH2+][C@@H](C)c1ccncc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000182873973 509469455 /nfs/dbraw/zinc/46/94/55/509469455.db2.gz ZWDMDNMIRFFJBH-ZWKOTPCHSA-N 2 0 366.509 2.902 10 0 FFAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182934328 509504745 /nfs/dbraw/zinc/50/47/45/509504745.db2.gz MRKJYJHXBINOSJ-YQVWRLOYSA-N 2 0 350.551 2.765 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000176508229 509551470 /nfs/dbraw/zinc/55/14/70/509551470.db2.gz KZHSRUMZPBCHEH-NQIIRXRSSA-N 2 0 372.557 2.927 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245416152 509917612 /nfs/dbraw/zinc/91/76/12/509917612.db2.gz HNYPVHQDVJLBIR-VQTJNVASSA-N 2 0 358.530 2.949 10 0 FFAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000177305801 509987639 /nfs/dbraw/zinc/98/76/39/509987639.db2.gz TWNGRZAZVWXPNV-FQEVSTJZSA-N 2 0 358.530 2.908 10 0 FFAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245691679 510087315 /nfs/dbraw/zinc/08/73/15/510087315.db2.gz XICMIHFINYKNKB-IHPCNDPISA-N 2 0 358.530 2.805 10 0 FFAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174410497 510101622 /nfs/dbraw/zinc/10/16/22/510101622.db2.gz NKCFOAIECDEXAH-SFTDATJTSA-N 2 0 368.525 2.697 10 0 FFAERP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000190493774 510165576 /nfs/dbraw/zinc/16/55/76/510165576.db2.gz MLJSXPLTLYKKFP-ZWKOTPCHSA-N 2 0 353.551 2.599 10 0 FFAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3F)C2)[nH+]1 ZINC000171651705 510282461 /nfs/dbraw/zinc/28/24/61/510282461.db2.gz XNOZAMDOYOXXSX-QGZVFWFLSA-N 2 0 370.472 2.922 10 0 FFAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194418107 510354511 /nfs/dbraw/zinc/35/45/11/510354511.db2.gz JMKYEDKUYVJSKS-PWRODBHTSA-N 2 0 370.541 2.777 10 0 FFAERP CC(C)(C)n1cc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)nn1 ZINC000190973058 510443818 /nfs/dbraw/zinc/44/38/18/510443818.db2.gz WKUAJHCVYAXSMP-FQEVSTJZSA-N 2 0 371.529 2.568 10 0 FFAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246618992 510585848 /nfs/dbraw/zinc/58/58/48/510585848.db2.gz XOKCZWHWQQWKAJ-VURPSTOHSA-N 2 0 370.541 2.918 10 0 FFAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000247193249 510850269 /nfs/dbraw/zinc/85/02/69/510850269.db2.gz WQZAUIQGLDFZLU-DNVCBOLYSA-N 2 0 358.461 2.842 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000247269588 510854888 /nfs/dbraw/zinc/85/48/88/510854888.db2.gz JVUJUWDKGUOXKU-NRSPTQNISA-N 2 0 372.557 2.579 10 0 FFAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000247269573 510854956 /nfs/dbraw/zinc/85/49/56/510854956.db2.gz JVUJUWDKGUOXKU-HMXCVIKNSA-N 2 0 372.557 2.579 10 0 FFAERP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247353360 510858128 /nfs/dbraw/zinc/85/81/28/510858128.db2.gz YHJIVORSBHUSOZ-ICSRJNTNSA-N 2 0 354.498 2.915 10 0 FFAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000634724013 523613108 /nfs/dbraw/zinc/61/31/08/523613108.db2.gz HUJOYMFGGAKJBU-RLLQIKCJSA-N 2 0 358.482 2.515 10 0 FFAERP